*HEADER    HORMONE/GROWTH FACTOR                   21-SEP-01   1K0X              
*TITLE     SOLUTION STRUCTURE OF MELANOMA INHIBITORY ACTIVITY PROTEIN            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MELANOMA DERIVED GROWTH REGULATORY PROTEIN;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MELANOMA INHIBITORY ACTIVITY;                               
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    SH3 SUBDOMAIN                                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.C.LOUGHEED, P.J.DOMAILLE, T.M.HANDEL                                
*REVDAT   1   24-JUL-02 1K0X    0                                                

 ASSI { 7723}
     (segid "    " and resid "61  " and name "HZ2 ")
     (segid "    " and resid "82  " and name "HB1 ")
      3.400     1.400     1.400 peak  7723 weight  0.10000E+01 volume  0.26300E+00 ppm1      7.556 ppm2      1.393
 OR { 7723}
     (segid "    " and resid "61  " and name "HZ2 ")
     (segid "    " and resid "52  " and name "HB2 ")
 ASSI { 7743}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "108 " and name "HG2 ")
      2.900     1.100     1.100 peak  7743 weight  0.10000E+01 volume  0.87000E+00 ppm1      6.694 ppm2      2.415
 OR { 7743}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "108 " and name "HG1 ")
 OR { 7743}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 7743}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 7740}
     (segid "    " and resid "106 " and name "HE1 ")
     (segid "    " and resid "106 " and name "HB1 ")
      2.800     1.000     1.000 peak  7740 weight  0.10000E+01 volume  0.11960E+01 ppm1      6.686 ppm2      3.067
 OR { 7740}
     (segid "    " and resid "70  " and name "HE2 ")
     (segid "    " and resid "70  " and name "HB1 ")
 OR { 7740}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "106 " and name "HB2 ")
 OR { 7740}
     (segid "    " and resid "106 " and name "HE1 ")
     (segid "    " and resid "106 " and name "HB2 ")
 OR { 7740}
     (segid "    " and resid "70  " and name "HE1 ")
     (segid "    " and resid "70  " and name "HB1 ")
 ASSI { 7742}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "79  " and name "HB1 ")
      2.900     2.900     2.100 peak  7742 weight  0.10000E+01 volume  0.76000E+00 ppm1      6.683 ppm2      2.664
 OR { 7742}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "79  " and name "HB1 ")
 OR { 7742}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "105 " and name "HB2 ")
 ASSI { 7745}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "74  " and name "HB1 ")
      2.800     1.000     1.000 peak  7745 weight  0.10000E+01 volume  0.12520E+01 ppm1      6.685 ppm2      1.293
 OR { 7745}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 7745}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 7745}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 7745}
     (segid "    " and resid "106 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HD1 ")
 OR { 7745}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 7745}
     (segid "    " and resid "106 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HD2 ")
 ASSI { 7747}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HG13")
      2.800     1.000     1.000 peak  7747 weight  0.10000E+01 volume  0.22740E+01 ppm1      6.675 ppm2      0.781
 OR { 7747}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 7747}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 7747}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 7747}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 7747}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 7747}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 7747}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD22")
 ASSI { 7739}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD2 ")
      2.600     0.800     0.800 peak  7739 weight  0.10000E+01 volume  0.19150E+01 ppm1      6.693 ppm2      3.469
 OR { 7739}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "2   " and name "HA2 ")
 ASSI { 7579}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HG2 ")
      2.200     0.600     0.600 peak  7579 weight  0.10000E+01 volume  0.91100E+00 ppm1      6.941 ppm2      1.329
 OR { 7579}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "86  " and name "HG2 ")
 ASSI { 7031}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "80  " and name "HA  ")
      3.200     1.300     1.300 peak  7031 weight  0.10000E+01 volume  0.60200E+00 ppm1      6.944 ppm2      5.265
 OR { 7031}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HA  ")
 ASSI { 5117}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "2   " and name "HA2 ")
      2.800     1.000     1.000 peak  5117 weight  0.10000E+01 volume  0.11610E+01 ppm1      6.697 ppm2      3.581
 OR { 5117}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD1 ")
 ASSI { 7744}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "37  " and name "HB2 ")
      3.000     1.100     1.100 peak  7744 weight  0.10000E+01 volume  0.65800E+00 ppm1      6.682 ppm2      1.572
 OR { 7744}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 7744}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 7688}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HG1 ")
      2.800     1.000     1.000 peak  7688 weight  0.10000E+01 volume  0.11200E+01 ppm1      6.781 ppm2      2.206
 OR { 7688}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HB1 ")
 OR { 7688}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 7690}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "21  " and name "HB2 ")
      3.500     1.500     1.500 peak  7690 weight  0.10000E+01 volume  0.39000E+00 ppm1      6.781 ppm2      1.005
 OR { 7690}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HG21")
 OR { 7690}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HG23")
 OR { 7690}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 7690}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HG21")
 ASSI { 7689}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "21  " and name "HB1 ")
      3.100     1.200     1.200 peak  7689 weight  0.10000E+01 volume  0.50700E+00 ppm1      6.780 ppm2      1.536
 OR { 7689}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HB2 ")
 OR { 7689}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HB1 ")
 OR { 7689}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HG  ")
 OR { 7689}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 7689}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "91  " and name "HG  ")
 OR { 7689}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "91  " and name "HB2 ")
 ASSI { 7686}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HB1 ")
      3.100     1.200     1.200 peak  7686 weight  0.10000E+01 volume  0.55500E+00 ppm1      6.782 ppm2      2.844
 OR { 7686}
     (segid "    " and resid "70  " and name "HE1 ")
     (segid "    " and resid "70  " and name "HB2 ")
 OR { 7686}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 7686}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 7686}
     (segid "    " and resid "70  " and name "HE2 ")
     (segid "    " and resid "70  " and name "HB2 ")
 OR { 7686}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 7664}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HG23")
      3.200     1.300     1.300 peak  7664 weight  0.10000E+01 volume  0.32100E+00 ppm1      7.222 ppm2      1.244
 OR { 7664}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HG21")
 OR { 7664}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HG22")
 OR { 7664}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG12")
 OR { 7664}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HG2 ")
 OR { 7664}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG12")
 OR { 7664}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HG2 ")
 OR { 7664}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 1595}
     (segid "    " and resid "10  " and name "HB1 ")
     (segid "    " and resid "10  " and name "HD1 ")
      2.400     0.700     0.700 peak  1595 weight  0.10000E+01 volume  0.96900E+00 ppm1      7.320 ppm2      3.330
 OR { 1595}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "13  " and name "HB2 ")
 OR { 1595}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 1589}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HD1 ")
      3.600     1.600     1.600 peak  1589 weight  0.10000E+01 volume  0.19700E+00 ppm1      7.332 ppm2      3.541
 OR { 1589}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 1847}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HB2 ")
      2.700     0.900     0.900 peak  1847 weight  0.10000E+01 volume  0.10660E+01 ppm1      7.322 ppm2      2.768
 OR { 1847}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "15  " and name "HB2 ")
 ASSI { 7758}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HB1 ")
      2.800     1.000     1.000 peak  7758 weight  0.10000E+01 volume  0.59500E+00 ppm1      7.065 ppm2      3.285
 OR { 7758}
     (segid "    " and resid "103 " and name "HE3 ")
     (segid "    " and resid "103 " and name "HB2 ")
 ASSI { 7757}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HA  ")
      2.500     0.800     0.800 peak  7757 weight  0.10000E+01 volume  0.20620E+01 ppm1      7.064 ppm2      4.369
 OR { 7757}
     (segid "    " and resid "103 " and name "HE3 ")
     (segid "    " and resid "103 " and name "HA  ")
 ASSI { 7730}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "49  " and name "HG23")
      3.000     1.100     1.100 peak  7730 weight  0.10000E+01 volume  0.10780E+01 ppm1      6.745 ppm2      1.142
 OR { 7730}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 7730}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "49  " and name "HG21")
 OR { 7730}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 7716}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "87  " and name "HG2 ")
      3.500     1.500     1.500 peak  7716 weight  0.10000E+01 volume  0.20800E+00 ppm1      7.411 ppm2      2.147
 OR { 7716}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB1 ")
 OR { 7716}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "87  " and name "HB1 ")
 ASSI { 7732}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "49  " and name "HG11")
      3.100     1.200     1.200 peak  7732 weight  0.10000E+01 volume  0.44700E+00 ppm1      6.743 ppm2      0.693
 OR { 7732}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 7732}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD23")
 OR { 7732}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD22")
 ASSI { 7714}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "61  " and name "HB1 ")
      3.300     1.400     1.400 peak  7714 weight  0.10000E+01 volume  0.30000E+00 ppm1      7.423 ppm2      3.268
 OR { 7714}
     (segid "    " and resid "18  " and name "HA  ")
     (segid "    " and resid "18  " and name "HB2 ")
 ASSI { 7711}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "80  " and name "HZ  ")
      3.800     1.800     1.800 peak  7711 weight  0.10000E+01 volume  0.76200E+00 ppm1      7.417 ppm2      7.150
 OR { 7711}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "61  " and name "HH2 ")
 ASSI { 7828}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG21")
      2.500     0.800     0.800 peak  7828 weight  0.10000E+01 volume  0.27700E+01 ppm1      6.920 ppm2      0.934
 OR { 7828}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 7828}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 7828}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 7828}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 7828}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 7828}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "7   " and name "HB2 ")
 ASSI { 7826}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HB  ")
      3.400     1.400     1.400 peak  7826 weight  0.10000E+01 volume  0.27900E+00 ppm1      6.919 ppm2      4.632
 OR { 7826}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 7826}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HA  ")
 OR { 7826}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "35  " and name "HA  ")
 OR { 7826}
     (segid "    " and resid "105 " and name "HE1 ")
     (segid "    " and resid "100 " and name "HB  ")
 ASSI { 7774}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD22")
      2.200     0.600     0.600 peak  7774 weight  0.10000E+01 volume  0.22660E+01 ppm1      6.979 ppm2      0.868
 OR { 7774}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 7774}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD21")
 OR { 7774}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 7775}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG13")
      2.800     1.000     1.000 peak  7775 weight  0.10000E+01 volume  0.22730E+01 ppm1      6.979 ppm2      0.506
 OR { 7775}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "47  " and name "HG12")
 OR { 7775}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "47  " and name "HG11")
 OR { 7775}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG11")
 OR { 7775}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "47  " and name "HG13")
 ASSI { 7704}
     (segid "    " and resid "57  " and name "HA1 ")
     (segid "    " and resid "60  " and name "HD2 ")
      4.100     2.100     1.900 peak  7704 weight  0.10000E+01 volume  0.46400E+00 ppm1      7.350 ppm2      7.040
 OR { 7704}
     (segid "    " and resid "60  " and name "HZ  ")
     (segid "    " and resid "60  " and name "HD2 ")
 OR { 7704}
     (segid "    " and resid "60  " and name "HZ  ")
     (segid "    " and resid "60  " and name "HD1 ")
 ASSI { 7648}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD12")
      3.500     1.500     1.500 peak  7648 weight  0.10000E+01 volume  0.33700E+00 ppm1      6.843 ppm2      0.520
 OR { 7648}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "47  " and name "HG13")
 OR { 7648}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 7648}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "47  " and name "HG11")
 OR { 7648}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD12")
 OR { 7648}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 7648}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD13")
 ASSI { 7696}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HB1 ")
      2.600     0.800     0.800 peak  7696 weight  0.10000E+01 volume  0.15410E+01 ppm1      7.030 ppm2      3.001
 OR { 7696}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "60  " and name "HB1 ")
 OR { 7696}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "60  " and name "HB2 ")
 OR { 7696}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "60  " and name "HB2 ")
 ASSI { 7693}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HA1 ")
      3.300     1.400     1.400 peak  7693 weight  0.10000E+01 volume  0.13880E+01 ppm1      7.031 ppm2      5.176
 OR { 7693}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI { 7810}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "21  " and name "HG2 ")
      3.200     1.300     1.300 peak  7810 weight  0.10000E+01 volume  0.50000E+00 ppm1      7.132 ppm2      1.311
 OR { 7810}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "21  " and name "HG2 ")
 OR { 7810}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HG2 ")
 OR { 7810}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HG2 ")
 OR { 7810}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 7810}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 7810}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 7810}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 7810}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 7812}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HG12")
      3.800     1.800     1.800 peak  7812 weight  0.10000E+01 volume  0.40800E+00 ppm1      7.133 ppm2      0.787
 OR { 7812}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 7812}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 7812}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 7812}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 7812}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 7812}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 7812}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 7812}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 7812}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 7812}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 7812}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 7812}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 7812}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 7812}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "73  " and name "HD23")
 ASSI { 7701}
     (segid "    " and resid "60  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB1 ")
      3.500     1.500     1.500 peak  7701 weight  0.10000E+01 volume  0.33900E+00 ppm1      7.411 ppm2      0.910
 OR { 7701}
     (segid "    " and resid "60  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG  ")
 OR { 7701}
     (segid "    " and resid "60  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG  ")
 OR { 7701}
     (segid "    " and resid "63  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD12")
 OR { 7701}
     (segid "    " and resid "63  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 7701}
     (segid "    " and resid "60  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 7701}
     (segid "    " and resid "63  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD13")
 ASSI { 7680}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD11")
      2.200     0.600     0.600 peak  7680 weight  0.10000E+01 volume  0.19100E+01 ppm1      6.929 ppm2      0.776
 OR { 7680}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 7680}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 7680}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 7680}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HD12")
 OR { 7680}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 7680}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 7680}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 7680}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HD13")
 ASSI { 7679}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "39  " and name "HD11")
      2.500     0.800     0.800 peak  7679 weight  0.10000E+01 volume  0.68400E+00 ppm1      6.927 ppm2      1.000
 OR { 7679}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "39  " and name "HD12")
 OR { 7679}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 7679}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "39  " and name "HD13")
 ASSI { 7678}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "21  " and name "HB1 ")
      2.100     0.600     0.600 peak  7678 weight  0.10000E+01 volume  0.10640E+01 ppm1      6.927 ppm2      1.516
 OR { 7678}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "39  " and name "HB2 ")
 OR { 7678}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI { 7675}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HB1 ")
      2.200     0.600     0.600 peak  7675 weight  0.10000E+01 volume  0.13630E+01 ppm1      6.920 ppm2      2.488
 OR { 7675}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD2 ")
 OR { 7675}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 7673}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HD2 ")
      2.000     0.500     0.500 peak  7673 weight  0.10000E+01 volume  0.15140E+01 ppm1      6.922 ppm2      3.181
 OR { 7673}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 7673}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HD1 ")
 OR { 7673}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD1 ")
 OR { 7673}
     (segid "    " and resid "58  " and name "HG1 ")
     (segid "    " and resid "58  " and name "HD1 ")
 OR { 7673}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HD1 ")
 ASSI { 7676}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "79  " and name "HB2 ")
      2.100     0.600     0.600 peak  7676 weight  0.10000E+01 volume  0.16360E+01 ppm1      6.935 ppm2      2.008
 OR { 7676}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "56  " and name "HB1 ")
 OR { 7676}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 7824}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HN  ")
      2.700     0.900     0.900 peak  7824 weight  0.10000E+01 volume  0.45500E+00 ppm1      6.939 ppm2     -0.050
 OR { 7824}
     (segid "    " and resid "86  " and name "HG1 ")
     (segid "    " and resid "87  " and name "HN  ")
 ASSI { 7674}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "81  " and name "HD2 ")
      2.400     0.700     0.700 peak  7674 weight  0.10000E+01 volume  0.15230E+01 ppm1      6.939 ppm2      2.697
 OR { 7674}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "79  " and name "HB1 ")
 OR { 7674}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "79  " and name "HB1 ")
 ASSI { 7797}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HB1 ")
      2.200     0.600     0.600 peak  7797 weight  0.10000E+01 volume  0.97800E+00 ppm1      6.798 ppm2      2.091
 OR { 7797}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "3   " and name "HB1 ")
 ASSI { 7796}
     (segid "    " and resid "106 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HE2 ")
      2.400     0.700     0.700 peak  7796 weight  0.10000E+01 volume  0.79300E+00 ppm1      6.797 ppm2      2.441
 OR { 7796}
     (segid "    " and resid "106 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HE1 ")
 OR { 7796}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "108 " and name "HG1 ")
 OR { 7796}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HG2 ")
 OR { 7796}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "108 " and name "HG2 ")
 ASSI { 7793}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HA  ")
      2.500     0.800     0.800 peak  7793 weight  0.10000E+01 volume  0.13270E+01 ppm1      6.801 ppm2      4.347
 OR { 7793}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 7793}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 7735}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "84  " and name "HG12")
      2.400     0.700     0.700 peak  7735 weight  0.10000E+01 volume  0.49300E+00 ppm1      6.851 ppm2      1.286
 OR { 7735}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 7821}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HN  ")
      3.000     1.100     1.100 peak  7821 weight  0.10000E+01 volume  0.22000E+00 ppm1      7.353 ppm2     -0.062
 OR { 7821}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HN  ")
 OR { 7821}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "98  " and name "HN  ")
 OR { 7821}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HN  ")
 ASSI { 7653}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HD1 ")
      2.000     0.500     0.500 peak  7653 weight  0.10000E+01 volume  0.20900E+01 ppm1      7.359 ppm2      3.793
 OR { 7653}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 7653}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 7652}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB1 ")
      2.900     1.100     1.100 peak  7652 weight  0.10000E+01 volume  0.34400E+00 ppm1      7.361 ppm2      4.050
 OR { 7652}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 7651}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "80  " and name "HA  ")
      2.900     1.100     1.100 peak  7651 weight  0.10000E+01 volume  0.10850E+01 ppm1      7.362 ppm2      5.266
 OR { 7651}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "10  " and name "HA  ")
 OR { 7651}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "80  " and name "HA  ")
 ASSI { 7822}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "106 " and name "HE2 ")
      3.600     1.600     1.600 peak  7822 weight  0.10000E+01 volume  0.34900E+00 ppm1      7.356 ppm2      6.589
 OR { 7822}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HZ  ")
 OR { 7822}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HZ  ")
 ASSI { 7655}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HG2 ")
      2.300     0.700     0.700 peak  7655 weight  0.10000E+01 volume  0.73900E+00 ppm1      7.358 ppm2      1.869
 OR { 7655}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HG2 ")
 ASSI { 7819}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HN  ")
      2.800     1.000     1.000 peak  7819 weight  0.10000E+01 volume  0.31000E+00 ppm1      7.079 ppm2     -0.041
 OR { 7819}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HN  ")
 OR { 7819}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "98  " and name "HN  ")
 ASSI { 7818}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "105 " and name "HB1 ")
      2.200     0.600     0.600 peak  7818 weight  0.10000E+01 volume  0.12970E+01 ppm1      7.081 ppm2      2.918
 OR { 7818}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 7818}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 7818}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 7818}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 7788}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD12")
      3.000     1.100     1.100 peak  7788 weight  0.10000E+01 volume  0.10080E+01 ppm1      6.930 ppm2      0.680
 OR { 7788}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 7788}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 7788}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD11")
 ASSI { 7787}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG23")
      2.300     0.700     0.700 peak  7787 weight  0.10000E+01 volume  0.21430E+01 ppm1      6.932 ppm2      0.871
 OR { 7787}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 7787}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 7787}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 7787}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 7787}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 7787}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 7787}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 7786}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD11")
      2.300     0.700     0.700 peak  7786 weight  0.10000E+01 volume  0.25930E+01 ppm1      6.930 ppm2      0.975
 OR { 7786}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 7786}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 7786}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 7786}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 7786}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 7786}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD12")
 ASSI { 7782}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
      1.900     0.500     0.500 peak  7782 weight  0.10000E+01 volume  0.24020E+01 ppm1      6.935 ppm2      2.523
 OR { 7782}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "80  " and name "HB2 ")
 OR { 7782}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 7782}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 7781}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "80  " and name "HB1 ")
      1.900     0.500     0.500 peak  7781 weight  0.10000E+01 volume  0.24210E+01 ppm1      6.934 ppm2      3.483
 OR { 7781}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 7781}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 7781}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 7780}
     (segid "    " and resid "10  " and name "HG1 ")
     (segid "    " and resid "99  " and name "HA  ")
      3.300     1.400     1.400 peak  7780 weight  0.10000E+01 volume  0.26000E+00 ppm1      6.932 ppm2      4.677
 OR { 7780}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "81  " and name "HA  ")
 ASSI { 6601}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD13")
      2.700     0.900     0.900 peak  6601 weight  0.10000E+01 volume  0.92800E+00 ppm1      7.406 ppm2      0.801
 OR { 6601}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HG21")
 OR { 6601}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 6601}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 6601}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HG22")
 OR { 6601}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 6601}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG12")
 ASSI { 6096}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HB1 ")
      1.800     0.400     0.400 peak  6096 weight  0.10000E+01 volume  0.35180E+01 ppm1      7.405 ppm2      2.656
 OR { 6096}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 6096}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 6096}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 6646}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG11")
      2.700     0.900     0.900 peak  6646 weight  0.10000E+01 volume  0.15170E+01 ppm1      7.405 ppm2      0.689
 OR { 6646}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 6646}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 6646}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 6646}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 6646}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 6646}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG12")
 OR { 6646}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 5858}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HA  ")
      3.000     1.100     1.100 peak  5858 weight  0.10000E+01 volume  0.66900E+00 ppm1      7.409 ppm2      4.929
 OR { 5858}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HA  ")
 ASSI { 6038}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
      1.900     0.500     0.500 peak  6038 weight  0.10000E+01 volume  0.23460E+01 ppm1      7.410 ppm2      2.919
 OR { 6038}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HB2 ")
 OR { 6038}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 6038}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 5125}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HG2 ")
      3.000     1.100     1.100 peak  5125 weight  0.10000E+01 volume  0.57000E+00 ppm1      6.684 ppm2      2.038
 OR { 5125}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HB1 ")
 OR { 5125}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG1 ")
 ASSI { 5119}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "37  " and name "HD1 ")
      3.000     1.100     1.100 peak  5119 weight  0.10000E+01 volume  0.62300E+00 ppm1      6.686 ppm2      3.560
 OR { 5119}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "2   " and name "HA2 ")
 OR { 5119}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD1 ")
 ASSI { 5118}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "37  " and name "HA  ")
      3.300     1.400     1.400 peak  5118 weight  0.10000E+01 volume  0.80600E+00 ppm1      6.683 ppm2      4.253
 OR { 5118}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "108 " and name "HA  ")
 OR { 5118}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "78  " and name "HA1 ")
 ASSI { 3726}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HB1 ")
      2.700     0.900     0.900 peak  3726 weight  0.10000E+01 volume  0.11240E+01 ppm1      6.935 ppm2      3.781
 OR { 3726}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "34  " and name "HD1 ")
 ASSI { 3744}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "34  " and name "HD2 ")
      3.000     1.100     1.100 peak  3744 weight  0.10000E+01 volume  0.61000E+00 ppm1      6.937 ppm2      3.203
 OR { 3744}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 5123}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "37  " and name "HD2 ")
      3.400     1.400     1.400 peak  5123 weight  0.10000E+01 volume  0.29900E+00 ppm1      6.672 ppm2      2.659
 OR { 5123}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "79  " and name "HB1 ")
 ASSI { 7168}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "21  " and name "HG2 ")
      3.600     1.600     1.600 peak  7168 weight  0.10000E+01 volume  0.21000E+00 ppm1      6.774 ppm2      1.398
 OR { 7168}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HG  ")
 OR { 7168}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "21  " and name "HG2 ")
 ASSI { 3743}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "81  " and name "HD2 ")
      3.400     1.400     1.400 peak  3743 weight  0.10000E+01 volume  0.29900E+00 ppm1      6.933 ppm2      2.672
 OR { 3743}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 3743}
     (segid "    " and resid "31  " and name "HE2 ")
     (segid "    " and resid "81  " and name "HD2 ")
 ASSI { 3747}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HB2 ")
      3.700     1.700     1.700 peak  3747 weight  0.10000E+01 volume  0.49100E+00 ppm1      6.934 ppm2      1.325
 OR { 3747}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 3747}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HB3 ")
 OR { 3747}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 4143}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "106 " and name "HA  ")
      3.200     1.300     1.300 peak  4143 weight  0.10000E+01 volume  0.97600E+00 ppm1      6.773 ppm2      4.407
 OR { 4143}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 4143}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 4143}
     (segid "    " and resid "70  " and name "HE2 ")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 4143}
     (segid "    " and resid "70  " and name "HE1 ")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 7002}
     (segid "    " and resid "70  " and name "HE1 ")
     (segid "    " and resid "68  " and name "HB2 ")
      3.900     1.900     1.900 peak  7002 weight  0.10000E+01 volume  0.11900E+00 ppm1      6.771 ppm2      2.634
 OR { 7002}
     (segid "    " and resid "70  " and name "HE1 ")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 7002}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 7002}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 7002}
     (segid "    " and resid "70  " and name "HE2 ")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 7002}
     (segid "    " and resid "70  " and name "HE2 ")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 7002}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "4   " and name "HG1 ")
 OR { 7002}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 7002}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 7002}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 6270}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HA  ")
      4.600     2.600     1.400 peak  6270 weight  0.10000E+01 volume  0.11000E+00 ppm1      6.775 ppm2      4.901
 OR { 6270}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 6270}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 6270}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 7167}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "21  " and name "HB1 ")
      3.500     1.500     1.500 peak  7167 weight  0.10000E+01 volume  0.24100E+00 ppm1      6.777 ppm2      1.524
 OR { 7167}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HB2 ")
 OR { 7167}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HG  ")
 OR { 7167}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 7167}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "91  " and name "HG  ")
 ASSI { 4812}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HG23")
      4.500     2.500     1.500 peak  4812 weight  0.10000E+01 volume  0.16000E+00 ppm1      7.213 ppm2      1.236
 OR { 4812}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HG21")
 OR { 4812}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HG22")
 OR { 4812}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 4812}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 4812}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 4456}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HD2 ")
      3.300     1.400     1.400 peak  4456 weight  0.10000E+01 volume  0.31700E+00 ppm1      7.309 ppm2      3.317
 OR { 4456}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 7844}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG21")
      3.100     1.200     1.200 peak  7844 weight  0.10000E+01 volume  0.11770E+01 ppm1      6.915 ppm2      0.921
 OR { 7844}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 7844}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 7844}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 7844}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD11")
 ASSI { 7543}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "6   " and name "HD1 ")
      3.800     1.800     1.800 peak  7543 weight  0.10000E+01 volume  0.20000E+00 ppm1      6.906 ppm2      1.730
 OR { 7543}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 7543}
     (segid "    " and resid "105 " and name "HE1 ")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 7543}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "8   " and name "HB2 ")
 OR { 7543}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 7543}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 4801}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "41  " and name "HG12")
      2.200     0.600     0.600 peak  4801 weight  0.10000E+01 volume  0.51290E+01 ppm1      0.292 ppm2      0.694
 OR { 4801}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "41  " and name "HG12")
 OR { 4801}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "41  " and name "HG12")
 OR { 4801}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "84  " and name "HD13")
 ASSI { 4799}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "39  " and name "HD13")
      3.000     1.100     1.100 peak  4799 weight  0.10000E+01 volume  0.19610E+01 ppm1      0.295 ppm2      0.987
 OR { 4799}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "65  " and name "HG21")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "39  " and name "HD11")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "39  " and name "HD13")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "39  " and name "HD12")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "39  " and name "HD13")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "65  " and name "HG23")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "39  " and name "HD11")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "65  " and name "HG11")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "39  " and name "HD11")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "39  " and name "HD12")
 OR { 4799}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "39  " and name "HD12")
 ASSI { 4797}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "39  " and name "HB1 ")
      2.900     1.100     1.100 peak  4797 weight  0.10000E+01 volume  0.70000E+00 ppm1      0.287 ppm2      1.639
 OR { 4797}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "47  " and name "HB  ")
 OR { 4797}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "84  " and name "HG11")
 OR { 4797}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 4797}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 5205}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB2 ")
      3.900     1.900     1.900 peak  5205 weight  0.10000E+01 volume  0.19800E+00 ppm1      7.024 ppm2      0.797
 OR { 5205}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 5205}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 5205}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 5205}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 5205}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 5204}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "57  " and name "HA1 ")
      3.500     1.500     1.500 peak  5204 weight  0.10000E+01 volume  0.57100E+00 ppm1      7.024 ppm2      4.662
 OR { 5204}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "81  " and name "HA  ")
 ASSI { 5193}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB1 ")
      3.600     1.600     1.600 peak  5193 weight  0.10000E+01 volume  0.23500E+00 ppm1      7.024 ppm2      0.917
 OR { 5193}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HG  ")
 OR { 5193}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HG  ")
 OR { 5193}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 5193}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 4924}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HG  ")
      3.700     1.700     1.700 peak  4924 weight  0.10000E+01 volume  0.19200E+00 ppm1      7.122 ppm2      1.278
 OR { 4924}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HB2 ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HB1 ")
 OR { 4924}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 4924}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HG  ")
 ASSI { 5109}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "66  " and name "HB2 ")
      3.200     1.300     1.300 peak  5109 weight  0.10000E+01 volume  0.48100E+00 ppm1      6.917 ppm2      1.861
 OR { 5109}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HG  ")
 OR { 5109}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 5109}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 5109}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "66  " and name "HB2 ")
 OR { 5109}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 5095}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HB2 ")
      3.300     1.400     1.400 peak  5095 weight  0.10000E+01 volume  0.36900E+00 ppm1      6.915 ppm2      1.494
 OR { 5095}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HG2 ")
 OR { 5095}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 5095}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 5096}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD23")
      3.400     1.400     1.400 peak  5096 weight  0.10000E+01 volume  0.83700E+00 ppm1      6.918 ppm2      0.765
 OR { 5096}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 5096}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 5096}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 5096}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 5096}
     (segid "    " and resid "79  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 5096}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "91  " and name "HD23")
 ASSI { 5633}
     (segid "    " and resid "106 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HE2 ")
      3.400     1.400     1.400 peak  5633 weight  0.10000E+01 volume  0.26400E+00 ppm1      6.791 ppm2      2.424
 OR { 5633}
     (segid "    " and resid "106 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HE1 ")
 OR { 5633}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "108 " and name "HG1 ")
 ASSI { 5216}
     (segid "    " and resid "70  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HB2 ")
      2.500     0.800     0.800 peak  5216 weight  0.10000E+01 volume  0.19620E+01 ppm1      7.008 ppm2      2.831
 OR { 5216}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "105 " and name "HB1 ")
 OR { 5216}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "105 " and name "HB1 ")
 OR { 5216}
     (segid "    " and resid "70  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HB2 ")
 ASSI { 5215}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "105 " and name "HB1 ")
      2.500     0.800     0.800 peak  5215 weight  0.10000E+01 volume  0.17700E+01 ppm1      7.008 ppm2      3.015
 OR { 5215}
     (segid "    " and resid "70  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HB1 ")
 OR { 5215}
     (segid "    " and resid "70  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HB1 ")
 OR { 5215}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "105 " and name "HB1 ")
 ASSI { 5116}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HB3 ")
      3.900     1.900     1.900 peak  5116 weight  0.10000E+01 volume  0.26700E+00 ppm1      6.856 ppm2      1.267
 OR { 5116}
     (segid "    " and resid "106 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HD1 ")
 OR { 5116}
     (segid "    " and resid "106 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HD2 ")
 OR { 5116}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 5116}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 4731}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "34  " and name "HG2 ")
      3.500     1.500     1.500 peak  4731 weight  0.10000E+01 volume  0.65900E+00 ppm1      7.352 ppm2      1.324
 OR { 4731}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 4731}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HB3 ")
 OR { 4731}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HB1 ")
 OR { 4731}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HB2 ")
 ASSI { 4730}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HB2 ")
      3.500     1.500     1.500 peak  4730 weight  0.10000E+01 volume  0.24400E+00 ppm1      7.354 ppm2      1.489
 OR { 4730}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 4730}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 4730}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HB2 ")
 ASSI { 6252}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "100 " and name "HG21")
      4.000     2.000     2.000 peak  6252 weight  0.10000E+01 volume  0.17600E+00 ppm1      7.083 ppm2      0.896
 OR { 6252}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 6252}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 6252}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 6252}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 6252}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 6252}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "7   " and name "HB2 ")
 OR { 6252}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "7   " and name "HG  ")
 ASSI { 6250}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "104 " and name "HB1 ")
      3.200     1.300     1.300 peak  6250 weight  0.10000E+01 volume  0.37100E+00 ppm1      7.065 ppm2      1.608
 OR { 6250}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 6250}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "104 " and name "HB1 ")
 ASSI { 5267}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HG11")
      3.000     1.100     1.100 peak  5267 weight  0.10000E+01 volume  0.58100E+00 ppm1      6.925 ppm2      1.617
 OR { 5267}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 7527}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HE3 ")
      4.100     2.100     1.900 peak  7527 weight  0.10000E+01 volume  0.26500E+00 ppm1      6.929 ppm2      7.400
 OR { 7527}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HD1 ")
 ASSI { 3748}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HB  ")
      3.200     1.300     1.300 peak  3748 weight  0.10000E+01 volume  0.44100E+00 ppm1      7.401 ppm2      1.474
 OR { 3748}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "39  " and name "HB2 ")
 OR { 3748}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HG11")
 ASSI { 5392}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "81  " and name "HG2 ")
      2.800     1.000     1.000 peak  5392 weight  0.10000E+01 volume  0.81700E+00 ppm1      0.671 ppm2      1.936
 OR { 5392}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "81  " and name "HB2 ")
 OR { 5392}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "81  " and name "HG2 ")
 OR { 5392}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 5392}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 5392}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "81  " and name "HB2 ")
 OR { 5392}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "81  " and name "HG2 ")
 OR { 5392}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "81  " and name "HB2 ")
 ASSI { 5388}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "81  " and name "HD1 ")
      3.100     1.200     1.200 peak  5388 weight  0.10000E+01 volume  0.43500E+00 ppm1      0.672 ppm2      3.441
 OR { 5388}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "80  " and name "HB1 ")
 OR { 5388}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "80  " and name "HB1 ")
 OR { 5388}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "80  " and name "HB1 ")
 ASSI { 5386}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "31  " and name "HA  ")
      3.600     1.600     1.600 peak  5386 weight  0.10000E+01 volume  0.47700E+00 ppm1      0.672 ppm2      4.593
 OR { 5386}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 5386}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 5386}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 5386}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 5384}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "31  " and name "HD1 ")
      3.200     1.300     1.300 peak  5384 weight  0.10000E+01 volume  0.11410E+01 ppm1      0.673 ppm2      7.402
 OR { 5384}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "31  " and name "HD2 ")
 OR { 5384}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "31  " and name "HD2 ")
 OR { 5384}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "31  " and name "HD2 ")
 OR { 5384}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 4521}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "94  " and name "HA1 ")
      2.600     0.800     0.800 peak  4521 weight  0.10000E+01 volume  0.23170E+01 ppm1      0.782 ppm2      3.804
 OR { 4521}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "94  " and name "HA1 ")
 OR { 4521}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "94  " and name "HA1 ")
 OR { 4521}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "23  " and name "HB1 ")
 ASSI { 6536}
     (segid "    " and resid "24  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HA  ")
      3.500     1.500     1.500 peak  6536 weight  0.10000E+01 volume  0.52700E+00 ppm1      1.839 ppm2      4.908
 OR { 6536}
     (segid "    " and resid "24  " and name "HE3 ")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 6536}
     (segid "    " and resid "24  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 6536}
     (segid "    " and resid "24  " and name "HE3 ")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 5380}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "29  " and name "HG1 ")
      3.100     1.200     1.200 peak  5380 weight  0.10000E+01 volume  0.44400E+00 ppm1      0.792 ppm2      2.668
 OR { 5380}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "81  " and name "HD2 ")
 OR { 5380}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 5380}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 5380}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 5376}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "31  " and name "HE2 ")
      4.100     2.100     1.900 peak  5376 weight  0.10000E+01 volume  0.23500E+00 ppm1      0.794 ppm2      6.939
 OR { 5376}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "31  " and name "HE2 ")
 OR { 5376}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "29  " and name "HE22")
 OR { 5376}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "29  " and name "HE22")
 ASSI { 5377}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "31  " and name "HA  ")
      3.900     1.900     1.900 peak  5377 weight  0.10000E+01 volume  0.29400E+00 ppm1      0.795 ppm2      4.570
 OR { 5377}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "81  " and name "HA  ")
 OR { 5377}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 5377}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 5377}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "29  " and name "HA  ")
 OR { 5377}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "81  " and name "HA  ")
 ASSI { 5375}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "31  " and name "HD2 ")
      3.500     1.500     1.500 peak  5375 weight  0.10000E+01 volume  0.52300E+00 ppm1      0.792 ppm2      7.404
 OR { 5375}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "31  " and name "HD2 ")
 OR { 5375}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 5221}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HA  ")
      2.300     0.700     0.700 peak  5221 weight  0.10000E+01 volume  0.69780E+01 ppm1      1.260 ppm2      4.129
 OR { 5221}
     (segid "    " and resid "75  " and name "HB3 ")
     (segid "    " and resid "75  " and name "HA  ")
 OR { 5221}
     (segid "    " and resid "75  " and name "HB1 ")
     (segid "    " and resid "75  " and name "HA  ")
 OR { 5221}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "74  " and name "HA  ")
 OR { 5221}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HA  ")
 ASSI { 7174}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HD2 ")
      4.200     2.200     1.800 peak  7174 weight  0.10000E+01 volume  0.23800E+00 ppm1      1.265 ppm2      7.131
 OR { 7174}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HE1 ")
 OR { 7174}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HZ  ")
 OR { 7174}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HZ  ")
 OR { 7174}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HE1 ")
 OR { 7174}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD2 ")
 OR { 7174}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HZ  ")
 OR { 7174}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD2 ")
 OR { 7174}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HE1 ")
 OR { 7174}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "50  " and name "HD1 ")
 ASSI { 4783}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "43  " and name "HA  ")
      4.100     2.100     1.900 peak  4783 weight  0.10000E+01 volume  0.12400E+00 ppm1      0.694 ppm2      3.223
 OR { 4783}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "42  " and name "HB1 ")
 OR { 4783}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "42  " and name "HB1 ")
 OR { 4783}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "42  " and name "HB1 ")
 ASSI { 5403}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "85  " and name "HN  ")
      3.400     1.400     1.400 peak  5403 weight  0.10000E+01 volume  0.69400E+00 ppm1      0.851 ppm2      7.424
 OR { 5403}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "85  " and name "HN  ")
 OR { 5403}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "61  " and name "HE3 ")
 OR { 5403}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "85  " and name "HN  ")
 ASSI { 5404}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "61  " and name "HH2 ")
      3.500     1.500     1.500 peak  5404 weight  0.10000E+01 volume  0.70400E+00 ppm1      0.851 ppm2      7.143
 OR { 5404}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "80  " and name "HZ  ")
 OR { 5404}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "61  " and name "HH2 ")
 OR { 5404}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "80  " and name "HZ  ")
 ASSI { 5409}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "27  " and name "HA  ")
      4.200     2.200     1.800 peak  5409 weight  0.10000E+01 volume  0.17900E+00 ppm1      0.849 ppm2      4.558
 OR { 5409}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 5409}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 5409}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "81  " and name "HA  ")
 ASSI { 5411}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "87  " and name "HG1 ")
      3.500     1.500     1.500 peak  5411 weight  0.10000E+01 volume  0.24400E+00 ppm1      0.845 ppm2      2.496
 OR { 5411}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "61  " and name "HB2 ")
 OR { 5411}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "87  " and name "HG1 ")
 OR { 5411}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "61  " and name "HB2 ")
 OR { 5411}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "61  " and name "HB2 ")
 ASSI { 5412}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "87  " and name "HG2 ")
      3.600     1.600     1.600 peak  5412 weight  0.10000E+01 volume  0.21000E+00 ppm1      0.853 ppm2      2.135
 OR { 5412}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "87  " and name "HG2 ")
 OR { 5412}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "87  " and name "HG2 ")
 OR { 5412}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "87  " and name "HB1 ")
 OR { 5412}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "84  " and name "HB  ")
 OR { 5412}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "87  " and name "HB1 ")
 OR { 5412}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "87  " and name "HB1 ")
 ASSI { 4781}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "27  " and name "HA  ")
      3.800     1.800     1.800 peak  4781 weight  0.10000E+01 volume  0.35300E+00 ppm1      0.693 ppm2      4.562
 OR { 4781}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4781}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4781}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "47  " and name "HA  ")
 ASSI { 4384}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HB1 ")
      2.900     1.100     1.100 peak  4384 weight  0.10000E+01 volume  0.11890E+01 ppm1      1.262 ppm2      3.792
 OR { 4384}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "94  " and name "HA1 ")
 OR { 4384}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 4384}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "94  " and name "HA1 ")
 OR { 4384}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 4384}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 4618}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "26  " and name "HG22")
      2.900     1.100     1.100 peak  4618 weight  0.10000E+01 volume  0.17650E+01 ppm1      1.393 ppm2      0.831
 OR { 4618}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HG22")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HG22")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "26  " and name "HG23")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HG23")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HG23")
 OR { 4618}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "41  " and name "HG12")
 ASSI { 4620}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "85  " and name "HG12")
      2.800     1.000     1.000 peak  4620 weight  0.10000E+01 volume  0.29360E+01 ppm1      1.395 ppm2      0.495
 OR { 4620}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "47  " and name "HG22")
 OR { 4620}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "47  " and name "HG23")
 OR { 4620}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "47  " and name "HG23")
 OR { 4620}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "85  " and name "HG13")
 OR { 4620}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 4620}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "85  " and name "HG11")
 OR { 4620}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "47  " and name "HG22")
 ASSI { 4613}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HA  ")
      4.100     2.100     1.900 peak  4613 weight  0.10000E+01 volume  0.22300E+00 ppm1      1.392 ppm2      4.825
 OR { 4613}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 4613}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 4613}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 4386}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "94  " and name "HA2 ")
      4.600     2.600     1.400 peak  4386 weight  0.10000E+01 volume  0.69000E-01 ppm1      1.250 ppm2      3.041
 OR { 4386}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "94  " and name "HA2 ")
 OR { 4386}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "94  " and name "HA2 ")
 OR { 4386}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "15  " and name "HB1 ")
 ASSI { 4602}
     (segid "    " and resid "26  " and name "HG22")
     (segid "    " and resid "28  " and name "HA  ")
      3.900     1.900     1.900 peak  4602 weight  0.10000E+01 volume  0.29200E+00 ppm1      0.837 ppm2      4.271
 OR { 4602}
     (segid "    " and resid "26  " and name "HG23")
     (segid "    " and resid "28  " and name "HA  ")
 OR { 4602}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 4602}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 4601}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "46  " and name "HA  ")
      3.400     1.400     1.400 peak  4601 weight  0.10000E+01 volume  0.68600E+00 ppm1      0.836 ppm2      4.407
 OR { 4601}
     (segid "    " and resid "26  " and name "HG22")
     (segid "    " and resid "44  " and name "HA1 ")
 OR { 4601}
     (segid "    " and resid "26  " and name "HG22")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 4601}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "44  " and name "HA1 ")
 OR { 4601}
     (segid "    " and resid "26  " and name "HG23")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 4690}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "35  " and name "HN  ")
      3.500     1.500     1.500 peak  4690 weight  0.10000E+01 volume  0.67800E+00 ppm1      1.319 ppm2      7.364
 OR { 4690}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 4690}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 4690}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 4690}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 4690}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 4690}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 4873}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "41  " and name "HG11")
      2.700     0.900     0.900 peak  4873 weight  0.10000E+01 volume  0.24360E+01 ppm1      0.492 ppm2      1.399
 OR { 4873}
     (segid "    " and resid "47  " and name "HG23")
     (segid "    " and resid "41  " and name "HG11")
 OR { 4873}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 4873}
     (segid "    " and resid "47  " and name "HG23")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 4873}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 4873}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "41  " and name "HG11")
 OR { 4873}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 4873}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "27  " and name "HB3 ")
 OR { 4873}
     (segid "    " and resid "47  " and name "HG23")
     (segid "    " and resid "27  " and name "HB3 ")
 OR { 4873}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "41  " and name "HG11")
 OR { 4873}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "27  " and name "HB3 ")
 ASSI { 4870}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "80  " and name "HE1 ")
      2.700     0.900     0.900 peak  4870 weight  0.10000E+01 volume  0.32510E+01 ppm1      0.486 ppm2      6.955
 OR { 4870}
     (segid "    " and resid "47  " and name "HG12")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 4870}
     (segid "    " and resid "85  " and name "HG11")
     (segid "    " and resid "80  " and name "HD1 ")
 OR { 4870}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 4870}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "80  " and name "HD1 ")
 OR { 4870}
     (segid "    " and resid "85  " and name "HG11")
     (segid "    " and resid "80  " and name "HE1 ")
 OR { 4870}
     (segid "    " and resid "47  " and name "HG13")
     (segid "    " and resid "80  " and name "HE2 ")
 ASSI { 5573}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "16  " and name "HB2 ")
      3.800     1.800     1.800 peak  5573 weight  0.10000E+01 volume  0.13900E+00 ppm1      0.906 ppm2      2.148
 OR { 5573}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "16  " and name "HB1 ")
 OR { 5573}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 5573}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 5573}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "16  " and name "HB1 ")
 OR { 5573}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "16  " and name "HB1 ")
 OR { 5573}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 5573}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 5570}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "11  " and name "HE1 ")
      3.100     1.200     1.200 peak  5570 weight  0.10000E+01 volume  0.51100E+00 ppm1      0.905 ppm2      2.866
 OR { 5570}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "97  " and name "HB1 ")
 OR { 5570}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 5570}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5570}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 5570}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5570}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "97  " and name "HB1 ")
 ASSI { 5571}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "88  " and name "HB1 ")
      3.100     1.200     1.200 peak  5571 weight  0.10000E+01 volume  0.45600E+00 ppm1      0.906 ppm2      2.664
 OR { 5571}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 5571}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "88  " and name "HB1 ")
 OR { 5571}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "88  " and name "HB2 ")
 OR { 5571}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5571}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "88  " and name "HB2 ")
 OR { 5571}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "88  " and name "HB1 ")
 OR { 5571}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "88  " and name "HB2 ")
 ASSI { 4855}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "26  " and name "HA  ")
      3.600     1.600     1.600 peak  4855 weight  0.10000E+01 volume  0.47100E+00 ppm1      0.693 ppm2      4.856
 OR { 4855}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 4855}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 4855}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 4855}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 4858}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "96  " and name "HB  ")
      1.900     0.500     0.500 peak  4858 weight  0.10000E+01 volume  0.92410E+01 ppm1      0.700 ppm2      1.622
 OR { 4858}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 4858}
     (segid "    " and resid "28  " and name "HD12")
     (segid "    " and resid "28  " and name "HG  ")
 OR { 4858}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 4858}
     (segid "    " and resid "28  " and name "HD13")
     (segid "    " and resid "28  " and name "HG  ")
 OR { 4858}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 4858}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI { 5180}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "104 " and name "HB2 ")
      3.800     1.800     1.800 peak  5180 weight  0.10000E+01 volume  0.14300E+00 ppm1      0.952 ppm2      2.461
 OR { 5180}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "66  " and name "HG1 ")
 OR { 5180}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "104 " and name "HB2 ")
 OR { 5180}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "104 " and name "HB2 ")
 OR { 5180}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "66  " and name "HG1 ")
 OR { 5180}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "66  " and name "HG2 ")
 OR { 5180}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "66  " and name "HG2 ")
 OR { 5180}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "66  " and name "HG2 ")
 ASSI { 5178}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "53  " and name "HB1 ")
      3.200     1.300     1.300 peak  5178 weight  0.10000E+01 volume  0.37700E+00 ppm1      0.952 ppm2      2.868
 OR { 5178}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 5178}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5178}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "53  " and name "HB1 ")
 OR { 5178}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "53  " and name "HB1 ")
 ASSI { 5177}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "10  " and name "HA  ")
      3.300     1.400     1.400 peak  5177 weight  0.10000E+01 volume  0.78900E+00 ppm1      0.950 ppm2      5.213
 OR { 5177}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "10  " and name "HA  ")
 OR { 5177}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 5177}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "10  " and name "HA  ")
 ASSI { 5176}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "105 " and name "HZ  ")
      3.600     1.600     1.600 peak  5176 weight  0.10000E+01 volume  0.65400E+00 ppm1      0.952 ppm2      6.765
 OR { 5176}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "79  " and name "HE2 ")
 OR { 5176}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "105 " and name "HZ  ")
 OR { 5176}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "105 " and name "HZ  ")
 ASSI { 3847}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "105 " and name "HE2 ")
      3.200     1.300     1.300 peak  3847 weight  0.10000E+01 volume  0.11350E+01 ppm1      0.953 ppm2      6.910
 OR { 3847}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "105 " and name "HE2 ")
 OR { 3847}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "105 " and name "HE2 ")
 OR { 3847}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "105 " and name "HE2 ")
 OR { 3847}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "105 " and name "HE2 ")
 OR { 3847}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "105 " and name "HE2 ")
 OR { 3847}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "79  " and name "HD2 ")
 OR { 3847}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "79  " and name "HD2 ")
 OR { 3847}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "105 " and name "HE1 ")
 ASSI { 5169}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "105 " and name "HD2 ")
      4.500     2.500     1.500 peak  5169 weight  0.10000E+01 volume  0.14600E+00 ppm1      0.951 ppm2      7.078
 OR { 5169}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "105 " and name "HD2 ")
 OR { 5169}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "105 " and name "HD2 ")
 OR { 5169}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "105 " and name "HD2 ")
 OR { 5169}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "105 " and name "HD1 ")
 OR { 5169}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "105 " and name "HD2 ")
 OR { 5169}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "105 " and name "HD2 ")
 OR { 5169}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "60  " and name "HD1 ")
 OR { 5169}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "105 " and name "HD1 ")
 OR { 5169}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "105 " and name "HD1 ")
 ASSI { 4852}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "53  " and name "HG  ")
      2.000     0.500     0.500 peak  4852 weight  0.10000E+01 volume  0.61780E+01 ppm1      0.983 ppm2      1.896
 OR { 4852}
     (segid "    " and resid "98  " and name "HG12")
     (segid "    " and resid "98  " and name "HB  ")
 OR { 4852}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "46  " and name "HB  ")
 OR { 4852}
     (segid "    " and resid "98  " and name "HG11")
     (segid "    " and resid "98  " and name "HB  ")
 OR { 4852}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "53  " and name "HG  ")
 OR { 4852}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "46  " and name "HB  ")
 ASSI { 4895}
     (segid "    " and resid "98  " and name "HG11")
     (segid "    " and resid "98  " and name "HA  ")
      2.700     0.900     0.900 peak  4895 weight  0.10000E+01 volume  0.25280E+01 ppm1      1.113 ppm2      4.379
 OR { 4895}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 4895}
     (segid "    " and resid "98  " and name "HG13")
     (segid "    " and resid "98  " and name "HA  ")
 OR { 4895}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 4894}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "48  " and name "HA  ")
      3.600     1.600     1.600 peak  4894 weight  0.10000E+01 volume  0.47100E+00 ppm1      1.115 ppm2      4.904
 OR { 4894}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 4894}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 4894}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 4633}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "14  " and name "HA  ")
      3.700     1.700     1.700 peak  4633 weight  0.10000E+01 volume  0.40900E+00 ppm1      0.790 ppm2      4.554
 OR { 4633}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 4633}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 4633}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 4633}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 4633}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 4633}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 4633}
     (segid "    " and resid "49  " and name "HG11")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 4851}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "11  " and name "HA  ")
      3.200     1.300     1.300 peak  4851 weight  0.10000E+01 volume  0.93600E+00 ppm1      0.988 ppm2      4.833
 OR { 4851}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 4851}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 4851}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "11  " and name "HA  ")
 ASSI { 5560}
     (segid "    " and resid "98  " and name "HG13")
     (segid "    " and resid "16  " and name "HA  ")
      3.200     1.300     1.300 peak  5560 weight  0.10000E+01 volume  0.46700E+00 ppm1      1.060 ppm2      3.914
 OR { 5560}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "23  " and name "HB2 ")
 OR { 5560}
     (segid "    " and resid "98  " and name "HG12")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 5560}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "23  " and name "HB2 ")
 OR { 5560}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "23  " and name "HB1 ")
 OR { 5560}
     (segid "    " and resid "98  " and name "HG11")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 4631}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "25  " and name "HA  ")
      4.100     2.100     1.900 peak  4631 weight  0.10000E+01 volume  0.20300E+00 ppm1      0.787 ppm2      5.343
 OR { 4631}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 4631}
     (segid "    " and resid "49  " and name "HG12")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 4631}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 4631}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "61  " and name "HA  ")
 ASSI { 4900}
     (segid "    " and resid "49  " and name "HG12")
     (segid "    " and resid "49  " and name "HA  ")
      2.900     1.100     1.100 peak  4900 weight  0.10000E+01 volume  0.18310E+01 ppm1      0.691 ppm2      4.376
 OR { 4900}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "91  " and name "HA  ")
 OR { 4900}
     (segid "    " and resid "91  " and name "HD13")
     (segid "    " and resid "91  " and name "HA  ")
 OR { 4900}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 4900}
     (segid "    " and resid "49  " and name "HG11")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 4897}
     (segid "    " and resid "49  " and name "HG11")
     (segid "    " and resid "61  " and name "HE3 ")
      3.500     1.500     1.500 peak  4897 weight  0.10000E+01 volume  0.57300E+00 ppm1      0.682 ppm2      7.406
 OR { 4897}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "95  " and name "HN  ")
 OR { 4897}
     (segid "    " and resid "49  " and name "HG12")
     (segid "    " and resid "61  " and name "HE3 ")
 OR { 4897}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "61  " and name "HE3 ")
 OR { 4897}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "95  " and name "HN  ")
 ASSI { 4276}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "38  " and name "HZ  ")
      3.300     1.400     1.400 peak  4276 weight  0.10000E+01 volume  0.95300E+00 ppm1      0.528 ppm2      6.582
 OR { 4276}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 4276}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "38  " and name "HZ  ")
 OR { 4276}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "38  " and name "HZ  ")
 ASSI { 4275}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "38  " and name "HE1 ")
      3.300     1.400     1.400 peak  4275 weight  0.10000E+01 volume  0.79700E+00 ppm1      0.529 ppm2      6.854
 OR { 4275}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "38  " and name "HE1 ")
 OR { 4275}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "38  " and name "HE1 ")
 OR { 4275}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "79  " and name "HD1 ")
 OR { 4275}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "38  " and name "HE2 ")
 OR { 4275}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "79  " and name "HD1 ")
 OR { 4275}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "38  " and name "HE2 ")
 OR { 4275}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "38  " and name "HE2 ")
 ASSI { 7557}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "105 " and name "HE2 ")
      3.200     1.300     1.300 peak  7557 weight  0.10000E+01 volume  0.12090E+01 ppm1      0.899 ppm2      6.928
 OR { 7557}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "105 " and name "HE2 ")
 OR { 7557}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "105 " and name "HE2 ")
 OR { 7557}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "79  " and name "HD2 ")
 OR { 7557}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "79  " and name "HD2 ")
 OR { 7557}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "79  " and name "HD2 ")
 ASSI { 5459}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "23  " and name "HA  ")
      3.600     1.600     1.600 peak  5459 weight  0.10000E+01 volume  0.40800E+00 ppm1      0.785 ppm2      4.924
 OR { 5459}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 5459}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 5459}
     (segid "    " and resid "91  " and name "HD13")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 5459}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 5058}
     (segid "    " and resid "59  " and name "HD22")
     (segid "    " and resid "59  " and name "HA  ")
      2.200     2.200     2.800 peak  5058 weight  0.10000E+01 volume  0.38410E+01 ppm1      0.661 ppm2      3.976
 OR { 5058}
     (segid "    " and resid "59  " and name "HD21")
     (segid "    " and resid "59  " and name "HA  ")
 OR { 5058}
     (segid "    " and resid "102 " and name "HG1 ")
     (segid "    " and resid "102 " and name "HA  ")
 ASSI { 5524}
     (segid "    " and resid "102 " and name "HG1 ")
     (segid "    " and resid "102 " and name "HE2 ")
      2.300     0.700     0.700 peak  5524 weight  0.10000E+01 volume  0.96600E+00 ppm1      0.693 ppm2      2.335
 OR { 5524}
     (segid "    " and resid "102 " and name "HG1 ")
     (segid "    " and resid "102 " and name "HE1 ")
 OR { 5524}
     (segid "    " and resid "12  " and name "HD23")
     (segid "    " and resid "97  " and name "HB2 ")
 OR { 5524}
     (segid "    " and resid "12  " and name "HD22")
     (segid "    " and resid "97  " and name "HB2 ")
 ASSI { 4575}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HZ  ")
      5.300     3.500     0.700 peak  4575 weight  0.10000E+01 volume  0.56000E-01 ppm1      1.193 ppm2      7.153
 OR { 4575}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HH2 ")
 OR { 4575}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HH2 ")
 OR { 4575}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "80  " and name "HZ  ")
 ASSI { 4753}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "41  " and name "HD12")
      3.200     1.300     1.300 peak  4753 weight  0.10000E+01 volume  0.11430E+01 ppm1      0.898 ppm2      0.308
 OR { 4753}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "77  " and name "HD21")
 OR { 4753}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "41  " and name "HD12")
 OR { 4753}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "41  " and name "HD13")
 OR { 4753}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "41  " and name "HD12")
 OR { 4753}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "41  " and name "HD11")
 OR { 4753}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "77  " and name "HD21")
 OR { 4753}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "77  " and name "HD22")
 OR { 4753}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "77  " and name "HD23")
 ASSI { 4584}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD1 ")
      2.000     0.500     0.500 peak  4584 weight  0.10000E+01 volume  0.27690E+01 ppm1      1.190 ppm2      1.818
 OR { 4584}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 4584}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HB  ")
 ASSI { 4579}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HA  ")
      3.400     1.400     1.400 peak  4579 weight  0.10000E+01 volume  0.28600E+00 ppm1      1.192 ppm2      4.902
 OR { 4579}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 4579}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 4579}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 4580}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "99  " and name "HA  ")
      3.800     1.800     1.800 peak  4580 weight  0.10000E+01 volume  0.17100E+00 ppm1      1.190 ppm2      4.557
 OR { 4580}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "100 " and name "HA  ")
 OR { 4580}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4580}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 4752}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG13")
      3.200     1.300     1.300 peak  4752 weight  0.10000E+01 volume  0.12640E+01 ppm1      0.895 ppm2      0.479
 OR { 4752}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG22")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG12")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "47  " and name "HG13")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG11")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "47  " and name "HG11")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "47  " and name "HG12")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG23")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "47  " and name "HG22")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG21")
 OR { 4752}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "77  " and name "HD13")
 ASSI { 4360}
     (segid "    " and resid "12  " and name "HD23")
     (segid "    " and resid "12  " and name "HG  ")
      1.900     0.500     0.500 peak  4360 weight  0.10000E+01 volume  0.54310E+01 ppm1      0.723 ppm2      1.339
 OR { 4360}
     (segid "    " and resid "12  " and name "HD22")
     (segid "    " and resid "12  " and name "HG  ")
 OR { 4360}
     (segid "    " and resid "102 " and name "HG1 ")
     (segid "    " and resid "102 " and name "HD1 ")
 OR { 4360}
     (segid "    " and resid "102 " and name "HG1 ")
     (segid "    " and resid "102 " and name "HD2 ")
 OR { 4360}
     (segid "    " and resid "12  " and name "HD21")
     (segid "    " and resid "12  " and name "HG  ")
 ASSI { 5241}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "64  " and name "HA  ")
      4.100     2.100     1.900 peak  5241 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.316 ppm2      5.226
 OR { 5241}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5241}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "64  " and name "HA  ")
 OR { 5241}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 5243}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "76  " and name "HA  ")
      4.200     2.200     1.800 peak  5243 weight  0.10000E+01 volume  0.11700E+00 ppm1      0.314 ppm2      4.334
 OR { 5243}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 5243}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "76  " and name "HA  ")
 OR { 5243}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "76  " and name "HA  ")
 OR { 5243}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 5243}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "53  " and name "HA  ")
 ASSI { 7199}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "61  " and name "HZ3 ")
      5.100     3.300     0.900 peak  7199 weight  0.10000E+01 volume  0.56000E-01 ppm1      0.318 ppm2      6.659
 OR { 7199}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "79  " and name "HE2 ")
 OR { 7199}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "79  " and name "HE2 ")
 ASSI { 5505}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE2 ")
      2.200     0.600     0.600 peak  5505 weight  0.10000E+01 volume  0.13800E+01 ppm1      1.264 ppm2      2.931
 OR { 5505}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 5505}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 5505}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5505}
     (segid "    " and resid "95  " and name "HG1 ")
     (segid "    " and resid "95  " and name "HE1 ")
 ASSI { 5506}
     (segid "    " and resid "95  " and name "HG1 ")
     (segid "    " and resid "95  " and name "HB1 ")
      2.000     0.500     0.500 peak  5506 weight  0.10000E+01 volume  0.23960E+01 ppm1      1.262 ppm2      1.844
 OR { 5506}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 5506}
     (segid "    " and resid "95  " and name "HG2 ")
     (segid "    " and resid "95  " and name "HB1 ")
 OR { 5506}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 5506}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 5055}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "54  " and name "HN  ")
      4.200     2.200     1.800 peak  5055 weight  0.10000E+01 volume  0.19200E+00 ppm1      0.734 ppm2      7.372
 OR { 5055}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 5055}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 5055}
     (segid "    " and resid "59  " and name "HD13")
     (segid "    " and resid "58  " and name "HN  ")
 OR { 5055}
     (segid "    " and resid "59  " and name "HD12")
     (segid "    " and resid "58  " and name "HN  ")
 OR { 5055}
     (segid "    " and resid "59  " and name "HD13")
     (segid "    " and resid "60  " and name "HE2 ")
 OR { 5055}
     (segid "    " and resid "59  " and name "HD11")
     (segid "    " and resid "58  " and name "HN  ")
 ASSI { 4280}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "37  " and name "HE  ")
      4.000     2.000     2.000 peak  4280 weight  0.10000E+01 volume  0.22600E+00 ppm1     -0.066 ppm2      7.370
 OR { 4280}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "60  " and name "HE1 ")
 OR { 4280}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "60  " and name "HE1 ")
 OR { 4280}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "60  " and name "HE1 ")
 OR { 4280}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "60  " and name "HE2 ")
 OR { 4280}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "60  " and name "HZ  ")
 OR { 4280}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "60  " and name "HE2 ")
 OR { 4280}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "60  " and name "HE2 ")
 OR { 4280}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "60  " and name "HZ  ")
 ASSI { 4281}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "37  " and name "HE  ")
      3.300     1.400     1.400 peak  4281 weight  0.10000E+01 volume  0.84800E+00 ppm1     -0.065 ppm2      7.060
 OR { 4281}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "60  " and name "HD1 ")
 OR { 4281}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "60  " and name "HD1 ")
 OR { 4281}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "60  " and name "HD2 ")
 OR { 4281}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "60  " and name "HD2 ")
 ASSI { 4285}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "79  " and name "HB2 ")
      3.300     1.400     1.400 peak  4285 weight  0.10000E+01 volume  0.31900E+00 ppm1     -0.065 ppm2      1.991
 OR { 4285}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "79  " and name "HB2 ")
 OR { 4285}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 4285}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "79  " and name "HB2 ")
 ASSI { 4282}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "8   " and name "HN  ")
      3.500     1.500     1.500 peak  4282 weight  0.10000E+01 volume  0.56900E+00 ppm1     -0.065 ppm2      6.593
 OR { 4282}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 4282}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "79  " and name "HE1 ")
 OR { 4282}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 4282}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "38  " and name "HZ  ")
 ASSI { 4352}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "27  " and name "HA  ")
      3.500     1.500     1.500 peak  4352 weight  0.10000E+01 volume  0.51600E+00 ppm1      0.797 ppm2      4.532
 OR { 4352}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "95  " and name "HA  ")
 OR { 4352}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "95  " and name "HA  ")
 OR { 4352}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4352}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "95  " and name "HA  ")
 OR { 4352}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4352}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI { 4351}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "97  " and name "HA  ")
      4.400     2.400     1.600 peak  4351 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.795 ppm2      5.086
 OR { 4351}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "97  " and name "HA  ")
 OR { 4351}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "97  " and name "HA  ")
 OR { 4351}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "13  " and name "HA  ")
 OR { 4351}
     (segid "    " and resid "59  " and name "HD13")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI { 4739}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "39  " and name "HA  ")
      3.000     1.100     1.100 peak  4739 weight  0.10000E+01 volume  0.15430E+01 ppm1      0.971 ppm2      4.656
 OR { 4739}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 4739}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 4739}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "77  " and name "HA  ")
 ASSI { 5000}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "53  " and name "HA  ")
      3.100     1.200     1.200 peak  5000 weight  0.10000E+01 volume  0.37800E+00 ppm1      1.356 ppm2      4.348
 OR { 5000}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "53  " and name "HA  ")
 OR { 5000}
     (segid "    " and resid "92  " and name "HG1 ")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 5000}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "58  " and name "HA  ")
 ASSI { 4642}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "28  " and name "HA  ")
      3.100     1.200     1.200 peak  4642 weight  0.10000E+01 volume  0.10460E+01 ppm1      0.768 ppm2      4.372
 OR { 4642}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "91  " and name "HA  ")
 OR { 4642}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "28  " and name "HA  ")
 OR { 4642}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "28  " and name "HA  ")
 OR { 4642}
     (segid "    " and resid "91  " and name "HD21")
     (segid "    " and resid "91  " and name "HA  ")
 ASSI { 4640}
     (segid "    " and resid "91  " and name "HD21")
     (segid "    " and resid "23  " and name "HA  ")
      3.300     1.400     1.400 peak  4640 weight  0.10000E+01 volume  0.76700E+00 ppm1      0.761 ppm2      4.926
 OR { 4640}
     (segid "    " and resid "91  " and name "HD21")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 4640}
     (segid "    " and resid "91  " and name "HD22")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 4640}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4640}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 4290}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HA  ")
      2.900     1.100     1.100 peak  4290 weight  0.10000E+01 volume  0.13800E+01 ppm1      1.718 ppm2      4.695
 OR { 4290}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "9   " and name "HA  ")
 OR { 4290}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "54  " and name "HA  ")
 OR { 4290}
     (segid "    " and resid "58  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HA  ")
 OR { 4290}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "57  " and name "HA1 ")
 OR { 4290}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "9   " and name "HA  ")
 ASSI { 4983}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "60  " and name "HD1 ")
      3.000     1.100     1.100 peak  4983 weight  0.10000E+01 volume  0.80400E+00 ppm1      0.790 ppm2      7.047
 OR { 4983}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "60  " and name "HD1 ")
 OR { 4983}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "60  " and name "HD2 ")
 OR { 4983}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "60  " and name "HD1 ")
 OR { 4983}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "60  " and name "HD2 ")
 OR { 4983}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "60  " and name "HD1 ")
 ASSI { 4986}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "62  " and name "HA1 ")
      3.800     1.800     1.800 peak  4986 weight  0.10000E+01 volume  0.27000E+00 ppm1      0.791 ppm2      4.682
 OR { 4986}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "57  " and name "HA1 ")
 OR { 4986}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "62  " and name "HA1 ")
 OR { 4986}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "62  " and name "HA1 ")
 OR { 4986}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "57  " and name "HA1 ")
 ASSI { 4988}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "57  " and name "HA2 ")
      3.600     1.600     1.600 peak  4988 weight  0.10000E+01 volume  0.27900E+00 ppm1      0.789 ppm2      3.549
 OR { 4988}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "57  " and name "HA2 ")
 OR { 4988}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "57  " and name "HA2 ")
 OR { 4988}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "57  " and name "HA2 ")
 ASSI { 4985}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "8   " and name "HN  ")
      3.000     1.100     1.100 peak  4985 weight  0.10000E+01 volume  0.69800E+00 ppm1      0.791 ppm2      6.667
 OR { 4985}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "79  " and name "HE2 ")
 OR { 4985}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "79  " and name "HE2 ")
 OR { 4985}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 4985}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "79  " and name "HE1 ")
 OR { 4985}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "79  " and name "HE2 ")
 ASSI { 5022}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "56  " and name "HA  ")
      2.400     0.700     0.700 peak  5022 weight  0.10000E+01 volume  0.15900E+01 ppm1      1.672 ppm2      4.298
 OR { 5022}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HA  ")
 OR { 5022}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 5745}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HA  ")
      3.200     1.300     1.300 peak  5745 weight  0.10000E+01 volume  0.29200E+00 ppm1      1.903 ppm2      4.295
 OR { 5745}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 4488}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "56  " and name "HD1 ")
      2.000     0.500     0.500 peak  4488 weight  0.10000E+01 volume  0.23630E+01 ppm1      1.762 ppm2      3.175
 OR { 4488}
     (segid "    " and resid "86  " and name "HG1 ")
     (segid "    " and resid "86  " and name "HD2 ")
 OR { 4488}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD2 ")
 OR { 4488}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD1 ")
 OR { 4488}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "56  " and name "HD2 ")
 OR { 4488}
     (segid "    " and resid "86  " and name "HG1 ")
     (segid "    " and resid "86  " and name "HD1 ")
 ASSI { 5374}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD21")
      2.400     0.700     0.700 peak  5374 weight  0.10000E+01 volume  0.20560E+01 ppm1      1.199 ppm2      0.672
 OR { 5374}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD13")
 OR { 5374}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD12")
 OR { 5374}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD23")
 OR { 5374}
     (segid "    " and resid "84  " and name "HG12")
     (segid "    " and resid "84  " and name "HD13")
 OR { 5374}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD11")
 ASSI { 4489}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "21  " and name "HB2 ")
      2.400     0.700     0.700 peak  4489 weight  0.10000E+01 volume  0.78300E+00 ppm1      1.734 ppm2      1.001
 OR { 4489}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HB2 ")
 ASSI { 4487}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HA  ")
      2.600     0.800     0.800 peak  4487 weight  0.10000E+01 volume  0.10470E+01 ppm1      1.760 ppm2      4.293
 OR { 4487}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4487}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 5319}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HD1 ")
      3.400     1.400     1.400 peak  5319 weight  0.10000E+01 volume  0.26500E+00 ppm1      1.398 ppm2      6.927
 OR { 5319}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HE2 ")
 OR { 5319}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HE1 ")
 OR { 5319}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HD2 ")
 ASSI { 4483}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HZ  ")
      3.600     1.600     1.600 peak  4483 weight  0.10000E+01 volume  0.17900E+00 ppm1      1.729 ppm2      7.106
 OR { 4483}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HE1 ")
 OR { 4483}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HE2 ")
 OR { 4483}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "60  " and name "HD1 ")
 ASSI { 6464}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HD1 ")
      3.500     1.500     1.500 peak  6464 weight  0.10000E+01 volume  0.21400E+00 ppm1      1.738 ppm2      6.924
 OR { 6464}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "79  " and name "HD2 ")
 ASSI { 4624}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "38  " and name "HA  ")
      3.000     1.100     1.100 peak  4624 weight  0.10000E+01 volume  0.45100E+00 ppm1      1.575 ppm2      5.348
 OR { 4624}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "85  " and name "HA  ")
 OR { 4624}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 4624}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "85  " and name "HA  ")
 ASSI { 4629}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "41  " and name "HD11")
      3.000     1.100     1.100 peak  4629 weight  0.10000E+01 volume  0.58700E+00 ppm1      1.569 ppm2      0.300
 OR { 4629}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "41  " and name "HD12")
 OR { 4629}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "41  " and name "HD13")
 OR { 4629}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "41  " and name "HD12")
 ASSI { 6742}
     (segid "    " and resid "43  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HA  ")
      2.800     1.000     1.000 peak  6742 weight  0.10000E+01 volume  0.64300E+00 ppm1      1.343 ppm2      4.246
 OR { 6742}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 6742}
     (segid "    " and resid "43  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 6740}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HD1 ")
      3.500     1.500     1.500 peak  6740 weight  0.10000E+01 volume  0.24100E+00 ppm1      1.346 ppm2      6.925
 OR { 6740}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HE2 ")
 OR { 6740}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HE1 ")
 OR { 6740}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HE1 ")
 OR { 6740}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HD2 ")
 ASSI {  881}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB2 ")
      2.100     0.600     0.600 peak   881 weight  0.10000E+01 volume  0.16020E+01 ppm1      1.902 ppm2      3.587
 OR {  881}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HD2 ")
 OR {  881}
     (segid "    " and resid "3   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD1 ")
 ASSI { 4093}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
      2.200     0.600     0.600 peak  4093 weight  0.10000E+01 volume  0.12970E+01 ppm1      2.036 ppm2      3.456
 OR { 4093}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4093}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HD2 ")
 OR { 4093}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4093}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 6735}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "80  " and name "HD2 ")
      3.400     1.400     1.400 peak  6735 weight  0.10000E+01 volume  0.26000E+00 ppm1      1.505 ppm2      6.931
 OR { 6735}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HE1 ")
 OR { 6735}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "80  " and name "HD2 ")
 OR { 6735}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 6735}
     (segid "    " and resid "91  " and name "HG  ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 6735}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "80  " and name "HE2 ")
 ASSI { 4973}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
      2.600     0.800     0.800 peak  4973 weight  0.10000E+01 volume  0.44500E+00 ppm1      1.804 ppm2      2.794
 OR { 4973}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HB1 ")
 OR { 4973}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4973}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 4628}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HD2 ")
      1.700     0.400     0.500 peak  4628 weight  0.10000E+01 volume  0.50790E+01 ppm1      1.555 ppm2      3.176
 OR { 4628}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 4628}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4628}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 4628}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HD1 ")
 OR { 4628}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HD1 ")
 ASSI {  863}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HD2 ")
      2.000     0.500     0.500 peak   863 weight  0.10000E+01 volume  0.19480E+01 ppm1      2.028 ppm2      3.589
 OR {  863}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HD1 ")
 OR {  863}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HD2 ")
 ASSI { 4209}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HA  ")
      3.000     1.100     1.100 peak  4209 weight  0.10000E+01 volume  0.44900E+00 ppm1      1.905 ppm2      4.099
 OR { 4209}
     (segid "    " and resid "3   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 3928}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HA  ")
      3.000     1.100     1.100 peak  3928 weight  0.10000E+01 volume  0.43400E+00 ppm1      2.036 ppm2      4.100
 OR { 3928}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HA  ")
 OR { 3928}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 4210}
     (segid "    " and resid "3   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD2 ")
      2.100     0.600     0.600 peak  4210 weight  0.10000E+01 volume  0.14340E+01 ppm1      1.906 ppm2      3.450
 OR { 4210}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4210}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4210}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 6733}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "35  " and name "HN  ")
      3.200     1.300     1.300 peak  6733 weight  0.10000E+01 volume  0.25800E+00 ppm1      1.491 ppm2      7.372
 OR { 6733}
     (segid "    " and resid "43  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HN  ")
 OR { 6733}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 6736}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB1 ")
      2.700     0.900     0.900 peak  6736 weight  0.10000E+01 volume  0.43100E+00 ppm1      1.498 ppm2      4.042
 OR { 6736}
     (segid "    " and resid "91  " and name "HG  ")
     (segid "    " and resid "90  " and name "HA  ")
 ASSI {  862}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HA  ")
      3.400     1.400     1.400 peak   862 weight  0.10000E+01 volume  0.19500E+00 ppm1      2.029 ppm2      4.378
 OR {  862}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HA1 ")
 OR {  862}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HA  ")
 ASSI { 4774}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "41  " and name "HA  ")
      2.400     0.700     0.700 peak  4774 weight  0.10000E+01 volume  0.17740E+01 ppm1      1.447 ppm2      4.385
 OR { 4774}
     (segid "    " and resid "91  " and name "HG  ")
     (segid "    " and resid "91  " and name "HA  ")
 ASSI { 5486}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB2 ")
      2.000     0.500     0.500 peak  5486 weight  0.10000E+01 volume  0.19450E+01 ppm1      1.939 ppm2      3.696
 OR { 5486}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HD1 ")
 OR { 5486}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HD1 ")
 ASSI { 5485}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HA  ")
      2.600     0.800     0.800 peak  5485 weight  0.10000E+01 volume  0.97200E+00 ppm1      1.940 ppm2      4.166
 OR { 5485}
     (segid "    " and resid "3   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "5   " and name "HG1 ")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HA  ")
 ASSI { 4245}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "4   " and name "HA  ")
      3.500     1.500     1.500 peak  4245 weight  0.10000E+01 volume  0.17800E+00 ppm1      1.861 ppm2      5.060
 OR { 4245}
     (segid "    " and resid "81  " and name "HG1 ")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI { 4246}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HA  ")
      3.000     1.100     1.100 peak  4246 weight  0.10000E+01 volume  0.45700E+00 ppm1      1.861 ppm2      4.224
 OR { 4246}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 6221}
     (segid "    " and resid "5   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HA  ")
      3.700     1.700     1.700 peak  6221 weight  0.10000E+01 volume  0.12500E+00 ppm1      1.979 ppm2      5.044
 OR { 6221}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HA  ")
 ASSI { 4248}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "5   " and name "HD2 ")
      2.400     0.700     0.700 peak  4248 weight  0.10000E+01 volume  0.72800E+00 ppm1      1.866 ppm2      3.275
 OR { 4248}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4248}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4248}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 4244}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "5   " and name "HD2 ")
      2.400     0.700     0.700 peak  4244 weight  0.10000E+01 volume  0.64000E+00 ppm1      1.970 ppm2      3.283
 OR { 4244}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4244}
     (segid "    " and resid "5   " and name "HG1 ")
     (segid "    " and resid "5   " and name "HD2 ")
 OR { 4244}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4244}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 5661}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
      2.200     0.600     0.600 peak  5661 weight  0.10000E+01 volume  0.10570E+01 ppm1      1.552 ppm2      3.301
 OR { 5661}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HD1 ")
 OR { 5661}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5661}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 5662}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
      2.200     0.600     0.600 peak  5662 weight  0.10000E+01 volume  0.10420E+01 ppm1      1.550 ppm2      3.103
 OR { 5662}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5662}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HD2 ")
 OR { 5662}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5662}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 5656}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
      2.200     0.600     0.600 peak  5656 weight  0.10000E+01 volume  0.11740E+01 ppm1      1.645 ppm2      3.301
 OR { 5656}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HD1 ")
 OR { 5656}
     (segid "    " and resid "10  " and name "HG1 ")
     (segid "    " and resid "10  " and name "HD1 ")
 OR { 5656}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5656}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 5657}
     (segid "    " and resid "10  " and name "HG1 ")
     (segid "    " and resid "10  " and name "HD2 ")
      2.200     0.600     0.600 peak  5657 weight  0.10000E+01 volume  0.10480E+01 ppm1      1.645 ppm2      3.105
 OR { 5657}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5657}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HD2 ")
 OR { 5657}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5657}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 5300}
     (segid "    " and resid "81  " and name "HG2 ")
     (segid "    " and resid "81  " and name "HD2 ")
      2.400     0.700     0.700 peak  5300 weight  0.10000E+01 volume  0.64600E+00 ppm1      1.894 ppm2      2.692
 OR { 5300}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 5300}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5300}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 5289}
     (segid "    " and resid "81  " and name "HG1 ")
     (segid "    " and resid "60  " and name "HE1 ")
      2.600     0.800     0.800 peak  5289 weight  0.10000E+01 volume  0.61000E+00 ppm1      1.944 ppm2      7.403
 OR { 5289}
     (segid "    " and resid "81  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HD2 ")
 OR { 5289}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HE  ")
 OR { 5289}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HE  ")
 ASSI { 5290}
     (segid "    " and resid "81  " and name "HG1 ")
     (segid "    " and resid "60  " and name "HE1 ")
      2.700     0.900     0.900 peak  5290 weight  0.10000E+01 volume  0.68500E+00 ppm1      1.892 ppm2      7.401
 OR { 5290}
     (segid "    " and resid "81  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HD2 ")
 OR { 5290}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HE  ")
 ASSI { 5298}
     (segid "    " and resid "81  " and name "HG1 ")
     (segid "    " and resid "81  " and name "HD1 ")
      2.400     0.700     0.700 peak  5298 weight  0.10000E+01 volume  0.72500E+00 ppm1      1.892 ppm2      3.411
 OR { 5298}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5298}
     (segid "    " and resid "81  " and name "HG2 ")
     (segid "    " and resid "81  " and name "HD1 ")
 OR { 5298}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 4405}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "98  " and name "HG13")
      3.300     1.400     1.400 peak  4405 weight  0.10000E+01 volume  0.22900E+00 ppm1      2.129 ppm2      1.067
 OR { 4405}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "98  " and name "HG13")
 OR { 4405}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "98  " and name "HG12")
 OR { 4405}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "98  " and name "HG12")
 OR { 4405}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "98  " and name "HG11")
 OR { 4405}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "98  " and name "HG11")
 ASSI { 4508}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HG1 ")
      2.200     0.600     0.600 peak  4508 weight  0.10000E+01 volume  0.12410E+01 ppm1      1.762 ppm2      1.262
 OR { 4508}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HG2 ")
 OR { 4508}
     (segid "    " and resid "22  " and name "HG11")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 4508}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 4508}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HG2 ")
 ASSI { 4401}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HA  ")
      2.200     0.600     0.600 peak  4401 weight  0.10000E+01 volume  0.24510E+01 ppm1      2.170 ppm2      3.916
 OR { 4401}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB1 ")
 OR { 4401}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 4406}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG23")
      3.400     1.400     1.400 peak  4406 weight  0.10000E+01 volume  0.25000E+00 ppm1      2.114 ppm2      0.904
 OR { 4406}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 4406}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 4406}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 4406}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD13")
 ASSI { 4427}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB2 ")
      2.900     1.100     1.100 peak  4427 weight  0.10000E+01 volume  0.33300E+00 ppm1      1.836 ppm2      3.775
 OR { 4427}
     (segid "    " and resid "22  " and name "HG11")
     (segid "    " and resid "94  " and name "HA1 ")
 ASSI { 5011}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB1 ")
      2.600     0.800     0.800 peak  5011 weight  0.10000E+01 volume  0.40400E+00 ppm1      1.638 ppm2      1.952
 OR { 5011}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "98  " and name "HB  ")
 ASSI { 5465}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "9   " and name "HA  ")
      2.700     0.900     0.900 peak  5465 weight  0.10000E+01 volume  0.74700E+00 ppm1      1.582 ppm2      4.625
 OR { 5465}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HA  ")
 OR { 5465}
     (segid "    " and resid "95  " and name "HD1 ")
     (segid "    " and resid "95  " and name "HA  ")
 OR { 5465}
     (segid "    " and resid "95  " and name "HD2 ")
     (segid "    " and resid "95  " and name "HA  ")
 ASSI { 5007}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HA  ")
      2.900     1.100     1.100 peak  5007 weight  0.10000E+01 volume  0.56200E+00 ppm1      1.633 ppm2      4.536
 OR { 5007}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HA  ")
 OR { 5007}
     (segid "    " and resid "95  " and name "HD1 ")
     (segid "    " and resid "95  " and name "HA  ")
 OR { 5007}
     (segid "    " and resid "95  " and name "HD2 ")
     (segid "    " and resid "95  " and name "HA  ")
 ASSI { 5020}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HA  ")
      2.300     0.700     0.700 peak  5020 weight  0.10000E+01 volume  0.21430E+01 ppm1      1.861 ppm2      4.304
 OR { 5020}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5020}
     (segid "    " and resid "22  " and name "HG11")
     (segid "    " and resid "22  " and name "HA  ")
 ASSI { 5018}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HA  ")
      2.300     0.700     0.700 peak  5018 weight  0.10000E+01 volume  0.19290E+01 ppm1      2.002 ppm2      4.303
 OR { 5018}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 5535}
     (segid "    " and resid "102 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HG2 ")
      2.000     0.500     0.500 peak  5535 weight  0.10000E+01 volume  0.22500E+01 ppm1      1.246 ppm2      0.350
 OR { 5535}
     (segid "    " and resid "102 " and name "HD2 ")
     (segid "    " and resid "102 " and name "HG2 ")
 OR { 5535}
     (segid "    " and resid "52  " and name "HD1 ")
     (segid "    " and resid "52  " and name "HG1 ")
 ASSI { 5586}
     (segid "    " and resid "99  " and name "HD2 ")
     (segid "    " and resid "99  " and name "HE1 ")
      2.000     0.500     0.500 peak  5586 weight  0.10000E+01 volume  0.19490E+01 ppm1      1.771 ppm2      3.071
 OR { 5586}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5586}
     (segid "    " and resid "99  " and name "HD2 ")
     (segid "    " and resid "99  " and name "HE2 ")
 OR { 5586}
     (segid "    " and resid "99  " and name "HD1 ")
     (segid "    " and resid "99  " and name "HE1 ")
 OR { 5586}
     (segid "    " and resid "99  " and name "HD1 ")
     (segid "    " and resid "99  " and name "HE2 ")
 ASSI { 5585}
     (segid "    " and resid "99  " and name "HD1 ")
     (segid "    " and resid "99  " and name "HA  ")
      3.100     1.200     1.200 peak  5585 weight  0.10000E+01 volume  0.29500E+00 ppm1      1.769 ppm2      4.603
 OR { 5585}
     (segid "    " and resid "99  " and name "HD2 ")
     (segid "    " and resid "99  " and name "HA  ")
 OR { 5585}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HA1 ")
 ASSI { 1373}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE1 ")
      2.100     0.600     0.600 peak  1373 weight  0.10000E+01 volume  0.15520E+01 ppm1      1.587 ppm2      2.802
 OR { 1373}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 1373}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HE2 ")
 OR { 1373}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 1373}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 1373}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 1373}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HE1 ")
 ASSI { 1258}
     (segid "    " and resid "95  " and name "HD2 ")
     (segid "    " and resid "95  " and name "HE1 ")
      2.000     0.500     0.500 peak  1258 weight  0.10000E+01 volume  0.20700E+01 ppm1      1.590 ppm2      2.887
 OR { 1258}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 1258}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HE2 ")
 OR { 1258}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 1258}
     (segid "    " and resid "95  " and name "HD2 ")
     (segid "    " and resid "95  " and name "HE2 ")
 OR { 1258}
     (segid "    " and resid "95  " and name "HD1 ")
     (segid "    " and resid "95  " and name "HE1 ")
 OR { 1258}
     (segid "    " and resid "95  " and name "HD1 ")
     (segid "    " and resid "95  " and name "HE2 ")
 OR { 1258}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 1258}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HE1 ")
 ASSI { 5037}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
      2.200     0.600     0.600 peak  5037 weight  0.10000E+01 volume  0.12800E+01 ppm1      1.942 ppm2      3.225
 OR { 5037}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5037}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HD2 ")
 OR { 5037}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5037}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 5036}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HA  ")
      2.300     0.700     0.700 peak  5036 weight  0.10000E+01 volume  0.20300E+01 ppm1      1.942 ppm2      4.301
 OR { 5036}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5036}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5036}
     (segid "    " and resid "108 " and name "HB2 ")
     (segid "    " and resid "108 " and name "HA  ")
 ASSI { 7642}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HG11")
      3.500     1.500     1.500 peak  7642 weight  0.10000E+01 volume  0.24400E+00 ppm1      1.000 ppm2      0.705
 OR { 7642}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 7642}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 7642}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "12  " and name "HD12")
 OR { 7642}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 5145}
     (segid "    " and resid "108 " and name "HB2 ")
     (segid "    " and resid "108 " and name "HE22")
      3.400     1.400     1.400 peak  5145 weight  0.10000E+01 volume  0.20400E+00 ppm1      1.910 ppm2      6.780
 OR { 5145}
     (segid "    " and resid "66  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HE22")
 OR { 5145}
     (segid "    " and resid "66  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HE1 ")
 ASSI { 5151}
     (segid "    " and resid "66  " and name "HB2 ")
     (segid "    " and resid "46  " and name "HG12")
      3.000     1.100     1.100 peak  5151 weight  0.10000E+01 volume  0.57200E+00 ppm1      1.901 ppm2      0.695
 OR { 5151}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 5151}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 5151}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG23")
 ASSI { 5144}
     (segid "    " and resid "108 " and name "HB1 ")
     (segid "    " and resid "108 " and name "HE22")
      3.400     1.400     1.400 peak  5144 weight  0.10000E+01 volume  0.22600E+00 ppm1      2.195 ppm2      6.768
 OR { 5144}
     (segid "    " and resid "108 " and name "HB1 ")
     (segid "    " and resid "106 " and name "HE2 ")
 ASSI { 5649}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HA  ")
      2.300     0.700     0.700 peak  5649 weight  0.10000E+01 volume  0.22790E+01 ppm1      2.000 ppm2      4.254
 OR { 5649}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 5649}
     (segid "    " and resid "108 " and name "HB2 ")
     (segid "    " and resid "108 " and name "HA  ")
 ASSI { 5648}
     (segid "    " and resid "108 " and name "HB1 ")
     (segid "    " and resid "108 " and name "HA  ")
      2.500     0.800     0.800 peak  5648 weight  0.10000E+01 volume  0.13830E+01 ppm1      2.218 ppm2      4.252
 OR { 5648}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 4819}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
      2.000     0.500     0.500 peak  4819 weight  0.10000E+01 volume  0.21920E+01 ppm1      1.453 ppm2      3.190
 OR { 4819}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 4819}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4819}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 4816}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HA  ")
      2.900     1.100     1.100 peak  4816 weight  0.10000E+01 volume  0.45300E+00 ppm1      1.675 ppm2      4.547
 OR { 4816}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HA  ")
 ASSI { 4830}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HA  ")
      2.300     0.700     0.700 peak  4830 weight  0.10000E+01 volume  0.24220E+01 ppm1      1.976 ppm2      4.248
 OR { 4830}
     (segid "    " and resid "87  " and name "HB2 ")
     (segid "    " and resid "87  " and name "HA  ")
 OR { 4830}
     (segid "    " and resid "108 " and name "HB2 ")
     (segid "    " and resid "108 " and name "HA  ")
 ASSI { 4832}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG23")
      2.700     0.900     0.900 peak  4832 weight  0.10000E+01 volume  0.96900E+00 ppm1      1.969 ppm2      1.039
 OR { 4832}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 4832}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 4832}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 4832}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "65  " and name "HG23")
 ASSI { 4828}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG23")
      2.800     1.000     1.000 peak  4828 weight  0.10000E+01 volume  0.75600E+00 ppm1      2.130 ppm2      1.035
 OR { 4828}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 4828}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 4828}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 4828}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "65  " and name "HG22")
 OR { 4828}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "65  " and name "HG23")
 ASSI { 4476}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HA  ")
      3.600     1.600     1.600 peak  4476 weight  0.10000E+01 volume  0.15700E+00 ppm1      1.005 ppm2      4.898
 OR { 4476}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HA  ")
 ASSI { 4470}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB2 ")
      2.500     0.800     0.800 peak  4470 weight  0.10000E+01 volume  0.11530E+01 ppm1      1.496 ppm2      3.523
 OR { 4470}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 5281}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HG22")
      3.000     1.100     1.100 peak  5281 weight  0.10000E+01 volume  0.46200E+00 ppm1      2.060 ppm2      0.812
 OR { 5281}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 5281}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 5281}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 5281}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HG21")
 OR { 5281}
     (segid "    " and resid "87  " and name "HB1 ")
     (segid "    " and resid "85  " and name "HG22")
 ASSI { 5279}
     (segid "    " and resid "87  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HB1 ")
      2.900     1.100     1.100 peak  5279 weight  0.10000E+01 volume  0.24400E+00 ppm1      2.075 ppm2      3.804
 OR { 5279}
     (segid "    " and resid "87  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HB2 ")
 OR { 5279}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "83  " and name "HB1 ")
 OR { 5279}
     (segid "    " and resid "87  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HB2 ")
 ASSI { 5283}
     (segid "    " and resid "87  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HA  ")
      3.200     1.300     1.300 peak  5283 weight  0.10000E+01 volume  0.30000E+00 ppm1      2.143 ppm2      5.295
 OR { 5283}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 5283}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HA  ")
 OR { 5283}
     (segid "    " and resid "87  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 4886}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HA  ")
      3.000     1.100     1.100 peak  4886 weight  0.10000E+01 volume  0.47400E+00 ppm1      2.512 ppm2      4.374
 OR { 4886}
     (segid "    " and resid "49  " and name "HB  ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 3919}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HA  ")
      2.600     0.800     0.800 peak  3919 weight  0.10000E+01 volume  0.10940E+01 ppm1      1.510 ppm2      4.227
 OR { 3919}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 4239}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG12")
      2.500     0.800     0.800 peak  4239 weight  0.10000E+01 volume  0.17070E+01 ppm1      2.028 ppm2      0.735
 OR { 4239}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG21")
 OR { 4239}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 4239}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 4239}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 4239}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG13")
 ASSI { 4229}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD1 ")
      2.900     1.100     1.100 peak  4229 weight  0.10000E+01 volume  0.25100E+00 ppm1      2.215 ppm2      3.850
 OR { 4229}
     (segid "    " and resid "93  " and name "HB1 ")
     (segid "    " and resid "94  " and name "HA1 ")
 ASSI { 4231}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HD2 ")
      3.400     1.400     1.400 peak  4231 weight  0.10000E+01 volume  0.20100E+00 ppm1      2.188 ppm2      6.923
 OR { 4231}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HE22")
 OR { 4231}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HE22")
 OR { 4231}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 4237}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HB2 ")
      1.800     0.400     0.400 peak  4237 weight  0.10000E+01 volume  0.43560E+01 ppm1      2.213 ppm2      1.512
 OR { 4237}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HG1 ")
 ASSI { 4674}
     (segid "    " and resid "49  " and name "HB  ")
     (segid "    " and resid "22  " and name "HB  ")
      2.500     0.800     0.800 peak  4674 weight  0.10000E+01 volume  0.69200E+00 ppm1      2.475 ppm2      1.245
 OR { 4674}
     (segid "    " and resid "32  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HG23")
 ASSI { 4238}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG21")
      2.500     0.800     0.800 peak  4238 weight  0.10000E+01 volume  0.18990E+01 ppm1      2.192 ppm2      0.737
 OR { 4238}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 4238}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 4238}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 4238}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 4238}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 4238}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG13")
 OR { 4238}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG21")
 ASSI { 5512}
     (segid "    " and resid "102 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HA  ")
      2.100     0.600     0.600 peak  5512 weight  0.10000E+01 volume  0.36480E+01 ppm1      1.603 ppm2      4.013
 OR { 5512}
     (segid "    " and resid "96  " and name "HB  ")
     (segid "    " and resid "96  " and name "HA  ")
 ASSI { 4676}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HA  ")
      2.800     1.000     1.000 peak  4676 weight  0.10000E+01 volume  0.69600E+00 ppm1      2.349 ppm2      4.506
 OR { 4676}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HA  ")
 OR { 4676}
     (segid "    " and resid "32  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 5475}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HA  ")
      2.100     0.600     0.600 peak  5475 weight  0.10000E+01 volume  0.38540E+01 ppm1      2.231 ppm2      4.173
 OR { 5475}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 4680}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "93  " and name "HD1 ")
      2.500     0.800     0.800 peak  4680 weight  0.10000E+01 volume  0.60500E+00 ppm1      1.718 ppm2      3.690
 OR { 4680}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD1 ")
 ASSI { 4679}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HA  ")
      2.300     0.700     0.700 peak  4679 weight  0.10000E+01 volume  0.21030E+01 ppm1      1.721 ppm2      4.167
 OR { 4679}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "93  " and name "HA  ")
 ASSI { 4848}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HA  ")
      2.500     0.800     0.800 peak  4848 weight  0.10000E+01 volume  0.12830E+01 ppm1      1.883 ppm2      4.505
 OR { 4848}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HA  ")
 OR { 4848}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HA  ")
 ASSI { 4207}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HD1 ")
      2.600     0.800     0.800 peak  4207 weight  0.10000E+01 volume  0.47900E+00 ppm1      1.857 ppm2      3.450
 OR { 4207}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD2 ")
 ASSI { 4196}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD2 ")
      2.700     0.900     0.900 peak  4196 weight  0.10000E+01 volume  0.32900E+00 ppm1      2.089 ppm2      3.449
 OR { 4196}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HA2 ")
 ASSI { 4195}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD1 ")
      2.800     1.000     1.000 peak  4195 weight  0.10000E+01 volume  0.30900E+00 ppm1      2.098 ppm2      3.581
 OR { 4195}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HA2 ")
 ASSI { 4204}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HE22")
      2.900     1.100     1.100 peak  4204 weight  0.10000E+01 volume  0.36600E+00 ppm1      1.860 ppm2      6.805
 OR { 4204}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HE22")
 OR { 4204}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "106 " and name "HD2 ")
 OR { 4204}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HE  ")
 ASSI { 4201}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HD2 ")
      3.000     1.100     1.100 peak  4201 weight  0.10000E+01 volume  0.18000E+00 ppm1      2.134 ppm2      3.235
 OR { 4201}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "107 " and name "HB2 ")
 OR { 4201}
     (segid "    " and resid "1   " and name "HB2 ")
     (segid "    " and resid "107 " and name "HB2 ")
 ASSI { 4185}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HA  ")
      2.400     0.700     0.700 peak  4185 weight  0.10000E+01 volume  0.19180E+01 ppm1      2.207 ppm2      4.078
 OR { 4185}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 4185}
     (segid "    " and resid "1   " and name "HB2 ")
     (segid "    " and resid "1   " and name "HA  ")
 ASSI { 5415}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HA  ")
      2.700     0.900     0.900 peak  5415 weight  0.10000E+01 volume  0.90800E+00 ppm1      1.834 ppm2      4.597
 OR { 5415}
     (segid "    " and resid "99  " and name "HB2 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 4222}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HA  ")
      2.700     0.900     0.900 peak  4222 weight  0.10000E+01 volume  0.85300E+00 ppm1      1.946 ppm2      4.597
 OR { 4222}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 4648}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     3.100     1.000 peak  4648 weight  0.10000E+01 volume -0.43900E+00 ppm1      1.872 ppm2      4.544
 OR { 4648}
     (segid "    " and resid "99  " and name "HB2 ")
     (segid "    " and resid "99  " and name "HA  ")
 OR { 4648}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 5442}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HA  ")
      3.600     1.600     1.600 peak  5442 weight  0.10000E+01 volume  0.16100E+00 ppm1      2.236 ppm2      4.333
 OR { 5442}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HA  ")
 OR { 5442}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "108 " and name "HA  ")
 OR { 5442}
     (segid "    " and resid "65  " and name "HB  ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 4421}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "98  " and name "HG22")
      3.000     1.100     1.100 peak  4421 weight  0.10000E+01 volume  0.50400E+00 ppm1      2.462 ppm2      0.904
 OR { 4421}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "98  " and name "HG22")
 OR { 4421}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "98  " and name "HG21")
 OR { 4421}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "98  " and name "HG23")
 OR { 4421}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "98  " and name "HG21")
 OR { 4421}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 4418}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "98  " and name "HG13")
      2.800     1.000     1.000 peak  4418 weight  0.10000E+01 volume  0.61000E+00 ppm1      2.465 ppm2      1.072
 OR { 4418}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "98  " and name "HG13")
 OR { 4418}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG23")
 OR { 4418}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG22")
 ASSI { 4422}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG11")
      2.300     0.700     0.700 peak  4422 weight  0.10000E+01 volume  0.25460E+01 ppm1      2.461 ppm2      0.699
 OR { 4422}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG21")
 OR { 4422}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 4422}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 4422}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 4422}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG21")
 OR { 4422}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG13")
 ASSI { 4123}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HN  ")
      3.400     1.400     1.400 peak  4123 weight  0.10000E+01 volume  0.24800E+00 ppm1      2.481 ppm2      7.420
 OR { 4123}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HE3 ")
 OR { 4123}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 3810}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "80  " and name "HE1 ")
      3.000     1.100     1.100 peak  3810 weight  0.10000E+01 volume  0.43200E+00 ppm1      2.480 ppm2      6.965
 OR { 3810}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HE22")
 OR { 3810}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HE22")
 OR { 3810}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HE22")
 ASSI { 6216}
     (segid "    " and resid "4   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HB1 ")
      2.500     0.800     0.800 peak  6216 weight  0.10000E+01 volume  0.59700E+00 ppm1      2.716 ppm2      1.938
 OR { 6216}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 6216}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 5156}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG12")
      3.100     1.200     1.200 peak  5156 weight  0.10000E+01 volume  0.26400E+00 ppm1      2.362 ppm2      1.274
 OR { 5156}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HG2 ")
 OR { 5156}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG12")
 OR { 5156}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 5156}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 ASSI { 5154}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "66  " and name "HE22")
      2.800     1.000     1.000 peak  5154 weight  0.10000E+01 volume  0.63000E+00 ppm1      2.360 ppm2      6.778
 OR { 5154}
     (segid "    " and resid "108 " and name "HG2 ")
     (segid "    " and resid "108 " and name "HE22")
 OR { 5154}
     (segid "    " and resid "108 " and name "HG1 ")
     (segid "    " and resid "108 " and name "HE22")
 OR { 5154}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "66  " and name "HE22")
 ASSI { 6215}
     (segid "    " and resid "4   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE1 ")
      3.000     1.100     1.100 peak  6215 weight  0.10000E+01 volume  0.52900E+00 ppm1      2.717 ppm2      2.123
 OR { 6215}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HB  ")
 OR { 6215}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HB  ")
 OR { 6215}
     (segid "    " and resid "4   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE2 ")
 ASSI { 5153}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HE22")
      3.300     1.400     1.400 peak  5153 weight  0.10000E+01 volume  0.24700E+00 ppm1      2.361 ppm2      6.919
 OR { 5153}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "66  " and name "HE22")
 OR { 5153}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "66  " and name "HE22")
 OR { 5153}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HE22")
 ASSI { 6217}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HB2 ")
      2.600     0.800     0.800 peak  6217 weight  0.10000E+01 volume  0.48000E+00 ppm1      2.717 ppm2      1.780
 OR { 6217}
     (segid "    " and resid "4   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 6217}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 5157}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "65  " and name "HG22")
      3.000     1.100     1.100 peak  5157 weight  0.10000E+01 volume  0.57800E+00 ppm1      2.357 ppm2      1.017
 OR { 5157}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG21")
 OR { 5157}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 5157}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG23")
 OR { 5157}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG21")
 OR { 5157}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 5157}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 5157}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG23")
 ASSI { 5651}
     (segid "    " and resid "108 " and name "HG2 ")
     (segid "    " and resid "106 " and name "HE2 ")
      3.000     1.100     1.100 peak  5651 weight  0.10000E+01 volume  0.40100E+00 ppm1      2.430 ppm2      6.710
 OR { 5651}
     (segid "    " and resid "108 " and name "HG2 ")
     (segid "    " and resid "108 " and name "HE22")
 OR { 5651}
     (segid "    " and resid "108 " and name "HG1 ")
     (segid "    " and resid "108 " and name "HE22")
 OR { 5651}
     (segid "    " and resid "108 " and name "HG1 ")
     (segid "    " and resid "106 " and name "HE2 ")
 ASSI { 5650}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HE22")
      3.000     1.100     1.100 peak  5650 weight  0.10000E+01 volume  0.44400E+00 ppm1      2.428 ppm2      6.798
 OR { 5650}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "66  " and name "HE22")
 OR { 5650}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HE22")
 OR { 5650}
     (segid "    " and resid "108 " and name "HG2 ")
     (segid "    " and resid "108 " and name "HE22")
 OR { 5650}
     (segid "    " and resid "108 " and name "HG1 ")
     (segid "    " and resid "108 " and name "HE22")
 OR { 5650}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "66  " and name "HE22")
 ASSI { 5653}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG12")
      3.000     1.100     1.100 peak  5653 weight  0.10000E+01 volume  0.29100E+00 ppm1      2.433 ppm2      1.276
 OR { 5653}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HG2 ")
 OR { 5653}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG12")
 OR { 5653}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HG2 ")
 OR { 5653}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 5653}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 5653}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 ASSI { 5503}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "28  " and name "HD12")
      3.000     1.100     1.100 peak  5503 weight  0.10000E+01 volume  0.60400E+00 ppm1      1.708 ppm2      0.703
 OR { 5503}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "28  " and name "HD13")
 OR { 5503}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD12")
 OR { 5503}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 5503}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD11")
 OR { 5503}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 5503}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 5503}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 5503}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG23")
 OR { 5503}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "28  " and name "HD22")
 ASSI { 5502}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HG2 ")
      1.900     0.500     0.500 peak  5502 weight  0.10000E+01 volume  0.26450E+01 ppm1      1.706 ppm2      1.263
 OR { 5502}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HG1 ")
 OR { 5502}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HD1 ")
 ASSI { 4432}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HB2 ")
      1.900     0.500     0.500 peak  4432 weight  0.10000E+01 volume  0.27000E+01 ppm1      2.316 ppm2      1.838
 OR { 4432}
     (segid "    " and resid "17  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HB2 ")
 OR { 4432}
     (segid "    " and resid "17  " and name "HG1 ")
     (segid "    " and resid "17  " and name "HB2 ")
 OR { 4432}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 4863}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HA  ")
      2.500     0.800     0.800 peak  4863 weight  0.10000E+01 volume  0.14420E+01 ppm1      1.544 ppm2      4.558
 OR { 4863}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "47  " and name "HA  ")
 ASSI { 4866}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "41  " and name "HG21")
      3.300     1.400     1.400 peak  4866 weight  0.10000E+01 volume  0.28200E+00 ppm1      1.541 ppm2      0.690
 OR { 4866}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 4866}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 4866}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 4866}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG12")
 OR { 4866}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 4866}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD23")
 OR { 4866}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD21")
 OR { 4866}
     (segid "    " and resid "10  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD23")
 OR { 4866}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD22")
 ASSI { 4865}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD13")
      3.100     1.200     1.200 peak  4865 weight  0.10000E+01 volume  0.43300E+00 ppm1      1.542 ppm2      0.853
 OR { 4865}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD11")
 OR { 4865}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD12")
 OR { 4865}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 4865}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 4865}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "85  " and name "HG21")
 OR { 4865}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 4865}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 4865}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 4865}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 4865}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 4551}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HG1 ")
      2.100     0.600     0.600 peak  4551 weight  0.10000E+01 volume  0.15730E+01 ppm1      1.940 ppm2      2.195
 OR { 4551}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 4551}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 4312}
     (segid "    " and resid "10  " and name "HB1 ")
     (segid "    " and resid "10  " and name "HD2 ")
      2.600     0.800     0.800 peak  4312 weight  0.10000E+01 volume  0.42000E+00 ppm1      1.993 ppm2      3.108
 OR { 4312}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 4312}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 4324}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "18  " and name "HB1 ")
      2.900     1.100     1.100 peak  4324 weight  0.10000E+01 volume  0.23300E+00 ppm1      1.812 ppm2      3.698
 OR { 4324}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "93  " and name "HD1 ")
 ASSI { 4314}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HA  ")
      3.000     1.100     1.100 peak  4314 weight  0.10000E+01 volume  0.43200E+00 ppm1      1.592 ppm2      4.349
 OR { 4314}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HA  ")
 ASSI { 4550}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HE1 ")
      2.200     0.600     0.600 peak  4550 weight  0.10000E+01 volume  0.12720E+01 ppm1      1.923 ppm2      2.891
 OR { 4550}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 4550}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 4550}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HE2 ")
 ASSI { 5558}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HA  ")
      2.500     0.800     0.800 peak  5558 weight  0.10000E+01 volume  0.12820E+01 ppm1      1.907 ppm2      4.430
 OR { 5558}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "98  " and name "HA  ")
 ASSI { 4553}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "98  " and name "HG23")
      2.200     0.600     0.600 peak  4553 weight  0.10000E+01 volume  0.33100E+01 ppm1      1.907 ppm2      0.907
 OR { 4553}
     (segid "    " and resid "85  " and name "HB  ")
     (segid "    " and resid "85  " and name "HG21")
 OR { 4553}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "98  " and name "HG22")
 OR { 4553}
     (segid "    " and resid "85  " and name "HB  ")
     (segid "    " and resid "85  " and name "HG22")
 ASSI { 5259}
     (segid "    " and resid "80  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD13")
      3.400     1.400     1.400 peak  5259 weight  0.10000E+01 volume  0.21600E+00 ppm1      3.472 ppm2      0.682
 OR { 5259}
     (segid "    " and resid "80  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 5259}
     (segid "    " and resid "80  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 5259}
     (segid "    " and resid "80  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD11")
 ASSI { 5353}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "85  " and name "HG21")
      3.000     1.100     1.100 peak  5353 weight  0.10000E+01 volume  0.33800E+00 ppm1      2.501 ppm2      0.827
 OR { 5353}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 5353}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HG22")
 OR { 5353}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 5353}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HG21")
 OR { 5353}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 5353}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 5352}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HG12")
      2.800     1.000     1.000 peak  5352 weight  0.10000E+01 volume  0.73100E+00 ppm1      2.492 ppm2      1.169
 OR { 5352}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 5352}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 5360}
     (segid "    " and resid "87  " and name "HG2 ")
     (segid "    " and resid "25  " and name "HA  ")
      3.300     1.400     1.400 peak  5360 weight  0.10000E+01 volume  0.23300E+00 ppm1      2.175 ppm2      5.298
 OR { 5360}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "85  " and name "HA  ")
 ASSI { 5343}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "29  " and name "HE22")
      3.900     1.900     1.900 peak  5343 weight  0.10000E+01 volume  0.10600E+00 ppm1      2.134 ppm2      6.943
 OR { 5343}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "80  " and name "HD1 ")
 OR { 5343}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "31  " and name "HE2 ")
 ASSI { 5345}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "84  " and name "HG12")
      2.100     0.600     0.600 peak  5345 weight  0.10000E+01 volume  0.15600E+01 ppm1      2.158 ppm2      1.187
 OR { 5345}
     (segid "    " and resid "87  " and name "HG2 ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 5345}
     (segid "    " and resid "87  " and name "HG2 ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 6990}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD21")
      3.800     1.800     1.800 peak  6990 weight  0.10000E+01 volume  0.13900E+00 ppm1      3.180 ppm2      0.766
 OR { 6990}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 6990}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 6990}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "46  " and name "HG13")
 OR { 6990}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 6990}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 6990}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 6990}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG13")
 ASSI { 6989}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG23")
      3.200     1.300     1.300 peak  6989 weight  0.10000E+01 volume  0.21200E+00 ppm1      3.183 ppm2      0.993
 OR { 6989}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 6989}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 6989}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 6989}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 7143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD13")
      3.500     1.500     1.500 peak  7143 weight  0.10000E+01 volume  0.19500E+00 ppm1      2.631 ppm2      0.777
 OR { 7143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 7143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 7143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 7143}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 7143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 7143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 7143}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG  ")
 ASSI { 7142}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG23")
      3.300     1.400     1.400 peak  7142 weight  0.10000E+01 volume  0.27800E+00 ppm1      2.629 ppm2      1.047
 OR { 7142}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 7142}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 7142}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 7142}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "98  " and name "HG12")
 ASSI { 7138}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HE2 ")
      3.400     1.400     1.400 peak  7138 weight  0.10000E+01 volume  0.23800E+00 ppm1      2.627 ppm2      6.827
 OR { 7138}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HE1 ")
 OR { 7138}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HZ  ")
 OR { 7138}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "37  " and name "HE  ")
 ASSI { 1502}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "79  " and name "HE1 ")
      3.600     1.600     1.600 peak  1502 weight  0.10000E+01 volume  0.19700E+00 ppm1      2.008 ppm2      6.655
 OR { 1502}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HZ  ")
 OR { 1502}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "79  " and name "HE2 ")
 ASSI { 7504}
     (segid "    " and resid "104 " and name "HB1 ")
     (segid "    " and resid "104 " and name "HA  ")
      2.700     0.900     0.900 peak  7504 weight  0.10000E+01 volume  0.83500E+00 ppm1      1.598 ppm2      4.309
 OR { 7504}
     (segid "    " and resid "91  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HA  ")
 ASSI { 7628}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "49  " and name "HG11")
      3.000     1.100     1.100 peak  7628 weight  0.10000E+01 volume  0.55200E+00 ppm1      0.216 ppm2      0.691
 OR { 7628}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 7628}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 7628}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 5509}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD22")
      2.800     1.000     1.000 peak  5509 weight  0.10000E+01 volume  0.92600E+00 ppm1      2.936 ppm2      0.754
 OR { 5509}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 5509}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 5509}
     (segid "    " and resid "54  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 5508}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG2 ")
      1.900     0.500     0.500 peak  5508 weight  0.10000E+01 volume  0.24840E+01 ppm1      2.932 ppm2      1.266
 OR { 5508}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 5508}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 5508}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HG2 ")
 OR { 5508}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 5508}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 5508}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 5508}
     (segid "    " and resid "95  " and name "HE1 ")
     (segid "    " and resid "95  " and name "HG1 ")
 ASSI { 4257}
     (segid "    " and resid "91  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HA  ")
      2.600     0.800     0.800 peak  4257 weight  0.10000E+01 volume  0.11570E+01 ppm1      1.512 ppm2      4.369
 OR { 4257}
     (segid "    " and resid "104 " and name "HB1 ")
     (segid "    " and resid "104 " and name "HA  ")
 OR { 4257}
     (segid "    " and resid "91  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HA  ")
 ASSI { 5551}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD21")
      2.800     1.000     1.000 peak  5551 weight  0.10000E+01 volume  0.95600E+00 ppm1      2.789 ppm2      0.722
 OR { 5551}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 5551}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "96  " and name "HG12")
 OR { 5551}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD23")
 OR { 5551}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 5551}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD22")
 ASSI { 5550}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HA1 ")
      2.500     0.800     0.800 peak  5550 weight  0.10000E+01 volume  0.13530E+01 ppm1      2.787 ppm2      5.080
 OR { 5550}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "97  " and name "HA  ")
 ASSI { 4657}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HA  ")
      3.000     1.100     1.100 peak  4657 weight  0.10000E+01 volume  0.47500E+00 ppm1      2.672 ppm2      4.514
 OR { 4657}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "100 " and name "HA  ")
 OR { 4657}
     (segid "    " and resid "88  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HA  ")
 ASSI { 4722}
     (segid "    " and resid "35  " and name "HB2 ")
     (segid "    " and resid "35  " and name "HN  ")
      2.800     1.000     1.000 peak  4722 weight  0.10000E+01 volume  0.70400E+00 ppm1      3.126 ppm2      7.361
 OR { 4722}
     (segid "    " and resid "35  " and name "HB1 ")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 4722}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 4722}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 7038}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD22")
      3.700     1.700     1.700 peak  7038 weight  0.10000E+01 volume  0.16900E+00 ppm1      2.817 ppm2      0.320
 OR { 7038}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD23")
 OR { 7038}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HD11")
 OR { 7038}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD21")
 ASSI { 5642}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HB  ")
      3.000     1.100     1.100 peak  5642 weight  0.10000E+01 volume  0.35500E+00 ppm1      3.301 ppm2      4.602
 OR { 5642}
     (segid "    " and resid "107 " and name "HB2 ")
     (segid "    " and resid "106 " and name "HA  ")
 OR { 5642}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "99  " and name "HA  ")
 OR { 5642}
     (segid "    " and resid "10  " and name "HD1 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 5666}
     (segid "    " and resid "10  " and name "HD2 ")
     (segid "    " and resid "99  " and name "HA  ")
      2.700     0.900     0.900 peak  5666 weight  0.10000E+01 volume  0.67800E+00 ppm1      3.104 ppm2      4.612
 OR { 5666}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "99  " and name "HA  ")
 OR { 5666}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 5666}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "100 " and name "HB  ")
 ASSI { 3739}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD11")
      2.800     1.000     1.000 peak  3739 weight  0.10000E+01 volume  0.79800E+00 ppm1      2.643 ppm2      0.677
 OR { 3739}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 3739}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 3739}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG12")
 ASSI { 3734}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HG21")
      2.900     1.100     1.100 peak  3734 weight  0.10000E+01 volume  0.46800E+00 ppm1      2.909 ppm2      0.783
 OR { 3734}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 3734}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HG22")
 OR { 3734}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 3734}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 3734}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG12")
 ASSI { 3729}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HD2 ")
      2.800     1.000     1.000 peak  3729 weight  0.10000E+01 volume  0.81400E+00 ppm1      2.906 ppm2      7.403
 OR { 3729}
     (segid "    " and resid "101 " and name "HB1 ")
     (segid "    " and resid "103 " and name "HN  ")
 ASSI { 3737}
     (segid "    " and resid "101 " and name "HB2 ")
     (segid "    " and resid "101 " and name "HA  ")
      2.300     0.700     0.700 peak  3737 weight  0.10000E+01 volume  0.21020E+01 ppm1      2.631 ppm2      4.953
 OR { 3737}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HA  ")
 ASSI { 4767}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "31  " and name "HD1 ")
      3.200     1.300     1.300 peak  4767 weight  0.10000E+01 volume  0.37000E+00 ppm1      1.494 ppm2      7.402
 OR { 4767}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "31  " and name "HD2 ")
 OR { 4767}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 4771}
     (segid "    " and resid "12  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HD13")
      3.100     1.200     1.200 peak  4771 weight  0.10000E+01 volume  0.44900E+00 ppm1      1.490 ppm2      0.500
 OR { 4771}
     (segid "    " and resid "12  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HD12")
 OR { 4771}
     (segid "    " and resid "12  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HD11")
 OR { 4771}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "47  " and name "HG22")
 ASSI { 4822}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HA  ")
      2.600     0.800     0.800 peak  4822 weight  0.10000E+01 volume  0.99100E+00 ppm1      3.175 ppm2      4.542
 OR { 4822}
     (segid "    " and resid "43  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HA  ")
 OR { 4822}
     (segid "    " and resid "43  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HA  ")
 ASSI { 5175}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "47  " and name "HG12")
      4.400     2.400     1.600 peak  5175 weight  0.10000E+01 volume  0.13800E+00 ppm1      3.065 ppm2      0.523
 OR { 5175}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "47  " and name "HG11")
 OR { 5175}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "47  " and name "HG13")
 OR { 5175}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "77  " and name "HD13")
 OR { 5175}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "77  " and name "HD11")
 OR { 5175}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "77  " and name "HD12")
 ASSI { 5172}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "79  " and name "HD2 ")
      3.700     1.700     1.700 peak  5172 weight  0.10000E+01 volume  0.37800E+00 ppm1      3.061 ppm2      6.941
 OR { 5172}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 5172}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "80  " and name "HD2 ")
 ASSI { 4187}
     (segid "    " and resid "2   " and name "HA1 ")
     (segid "    " and resid "3   " and name "HG2 ")
      3.400     1.400     1.400 peak  4187 weight  0.10000E+01 volume  0.21200E+00 ppm1      4.378 ppm2      1.891
 OR { 4187}
     (segid "    " and resid "2   " and name "HA1 ")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 4187}
     (segid "    " and resid "2   " and name "HA1 ")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 4189}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "79  " and name "HE1 ")
      3.500     1.500     1.500 peak  4189 weight  0.10000E+01 volume  0.33200E+00 ppm1      3.511 ppm2      6.693
 OR { 4189}
     (segid "    " and resid "2   " and name "HA2 ")
     (segid "    " and resid "106 " and name "HE2 ")
 ASSI { 3458}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD21")
      3.300     1.400     1.400 peak  3458 weight  0.10000E+01 volume  0.13800E+00 ppm1      2.564 ppm2      0.879
 OR { 3458}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 3458}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HG  ")
 OR { 3458}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HB2 ")
 ASSI { 5382}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "41  " and name "HB  ")
      3.500     1.500     1.500 peak  5382 weight  0.10000E+01 volume  0.36000E+00 ppm1      0.792 ppm2      1.405
 OR { 5382}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 5382}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 5382}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 5382}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 5382}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 5382}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 5382}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "82  " and name "HB1 ")
 OR { 5382}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 5382}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 5247}
     (segid "    " and resid "78  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HG  ")
      3.100     1.200     1.200 peak  5247 weight  0.10000E+01 volume  0.34400E+00 ppm1      4.200 ppm2      1.588
 OR { 5247}
     (segid "    " and resid "78  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 5247}
     (segid "    " and resid "78  " and name "HA1 ")
     (segid "    " and resid "37  " and name "HB2 ")
 ASSI { 5131}
     (segid "    " and resid "57  " and name "HA1 ")
     (segid "    " and resid "56  " and name "HG1 ")
      3.800     1.800     1.800 peak  5131 weight  0.10000E+01 volume  0.20700E+00 ppm1      4.668 ppm2      1.729
 OR { 5131}
     (segid "    " and resid "57  " and name "HA1 ")
     (segid "    " and resid "58  " and name "HG1 ")
 OR { 5131}
     (segid "    " and resid "57  " and name "HA1 ")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 5131}
     (segid "    " and resid "57  " and name "HA1 ")
     (segid "    " and resid "8   " and name "HB2 ")
 ASSI { 5029}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "7   " and name "HB1 ")
      3.400     1.400     1.400 peak  5029 weight  0.10000E+01 volume  0.19800E+00 ppm1      3.538 ppm2      1.089
 OR { 5029}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "53  " and name "HB2 ")
 ASSI { 5492}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "14  " and name "HB1 ")
      3.200     1.300     1.300 peak  5492 weight  0.10000E+01 volume  0.51500E+00 ppm1      3.790 ppm2      1.265
 OR { 5492}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "95  " and name "HG2 ")
 OR { 5492}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 5492}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "14  " and name "HB3 ")
 ASSI { 5498}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "12  " and name "HB1 ")
      3.100     1.200     1.200 peak  5498 weight  0.10000E+01 volume  0.51200E+00 ppm1      3.050 ppm2      1.283
 OR { 5498}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 5498}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "95  " and name "HG2 ")
 OR { 5498}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "14  " and name "HB3 ")
 ASSI { 5495}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "14  " and name "HA  ")
      3.200     1.300     1.300 peak  5495 weight  0.10000E+01 volume  0.77400E+00 ppm1      3.050 ppm2      4.519
 OR { 5495}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "95  " and name "HA  ")
 ASSI { 5184}
     (segid "    " and resid "63  " and name "HA1 ")
     (segid "    " and resid "77  " and name "HD13")
      3.900     1.900     1.900 peak  5184 weight  0.10000E+01 volume  0.30200E+00 ppm1      5.106 ppm2      0.496
 OR { 5184}
     (segid "    " and resid "63  " and name "HA1 ")
     (segid "    " and resid "77  " and name "HD12")
 OR { 5184}
     (segid "    " and resid "63  " and name "HA1 ")
     (segid "    " and resid "47  " and name "HG11")
 OR { 5184}
     (segid "    " and resid "63  " and name "HA1 ")
     (segid "    " and resid "47  " and name "HG12")
 OR { 5184}
     (segid "    " and resid "63  " and name "HA1 ")
     (segid "    " and resid "47  " and name "HG13")
 ASSI { 5321}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "80  " and name "HD1 ")
      3.000     1.100     1.100 peak  5321 weight  0.10000E+01 volume  0.57000E+00 ppm1      2.695 ppm2      6.936
 OR { 5321}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HE1 ")
 OR { 5321}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HE2 ")
 ASSI { 5304}
     (segid "    " and resid "21  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HD2 ")
      3.300     1.400     1.400 peak  5304 weight  0.10000E+01 volume  0.33400E+00 ppm1      3.410 ppm2      7.384
 OR { 5304}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 5304}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HD2 ")
 ASSI { 4572}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "85  " and name "HB  ")
      3.200     1.300     1.300 peak  4572 weight  0.10000E+01 volume  0.30200E+00 ppm1      5.288 ppm2      1.821
 OR { 4572}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "26  " and name "HB  ")
 OR { 4572}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "24  " and name "HE3 ")
 ASSI { 4571}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "87  " and name "HG2 ")
      2.900     1.100     1.100 peak  4571 weight  0.10000E+01 volume  0.59800E+00 ppm1      5.288 ppm2      2.117
 OR { 4571}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "24  " and name "HG2 ")
 OR { 4571}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "87  " and name "HB2 ")
 ASSI { 5310}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG13")
      3.300     1.400     1.400 peak  5310 weight  0.10000E+01 volume  0.30300E+00 ppm1      3.408 ppm2      0.787
 OR { 5310}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HG22")
 OR { 5310}
     (segid "    " and resid "21  " and name "HD2 ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 5310}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG11")
 OR { 5310}
     (segid "    " and resid "21  " and name "HD2 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 5310}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG12")
 OR { 5310}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 5310}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 5320}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD13")
      3.200     1.300     1.300 peak  5320 weight  0.10000E+01 volume  0.38500E+00 ppm1      3.405 ppm2      0.682
 OR { 5320}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 5320}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 5320}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 5320}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG11")
 OR { 5320}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG12")
 ASSI { 1002}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HA  ")
      3.100     1.200     1.200 peak  1002 weight  0.10000E+01 volume  0.36000E+00 ppm1      3.581 ppm2      4.145
 OR { 1002}
     (segid "    " and resid "3   " and name "HD1 ")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 6467}
     (segid "    " and resid "21  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HB2 ")
      2.800     1.000     1.000 peak  6467 weight  0.10000E+01 volume  0.31800E+00 ppm1      3.561 ppm2      1.014
 OR { 6467}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "90  " and name "HG21")
 ASSI {  953}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HB2 ")
      2.400     2.400     2.600 peak   953 weight  0.10000E+01 volume  0.74100E+00 ppm1      3.695 ppm2      1.758
 OR {  953}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HB1 ")
 ASSI { 4377}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD13")
      3.000     1.100     1.100 peak  4377 weight  0.10000E+01 volume  0.56800E+00 ppm1      3.369 ppm2      0.706
 OR { 4377}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 4377}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HG22")
 OR { 4377}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 4377}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 4377}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG11")
 OR { 4377}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG12")
 ASSI { 4376}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "98  " and name "HG23")
      2.700     0.900     0.900 peak  4376 weight  0.10000E+01 volume  0.59700E+00 ppm1      3.370 ppm2      0.910
 OR { 4376}
     (segid "    " and resid "21  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 4376}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "98  " and name "HG22")
 ASSI { 4256}
     (segid "    " and resid "5   " and name "HD2 ")
     (segid "    " and resid "5   " and name "HB2 ")
      2.700     0.900     0.900 peak  4256 weight  0.10000E+01 volume  0.36200E+00 ppm1      3.277 ppm2      1.520
 OR { 4256}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI { 4253}
     (segid "    " and resid "5   " and name "HD2 ")
     (segid "    " and resid "4   " and name "HA  ")
      2.600     0.800     0.800 peak  4253 weight  0.10000E+01 volume  0.11140E+01 ppm1      3.275 ppm2      5.053
 OR { 4253}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HA  ")
 ASSI { 4687}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "34  " and name "HD2 ")
      2.400     0.700     0.700 peak  4687 weight  0.10000E+01 volume  0.16920E+01 ppm1      4.034 ppm2      3.222
 OR { 4687}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 4684}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD2 ")
      3.700     1.700     1.700 peak  4684 weight  0.10000E+01 volume  0.31900E+00 ppm1      4.035 ppm2      7.369
 OR { 4684}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 4684}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 4684}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 7630}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "52  " and name "HB2 ")
      2.900     1.100     1.100 peak  7630 weight  0.10000E+01 volume  0.28700E+00 ppm1      0.377 ppm2      1.416
 OR { 7630}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "77  " and name "HB1 ")
 OR { 7630}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "77  " and name "HB1 ")
 ASSI { 4217}
     (segid "    " and resid "101 " and name "HA  ")
     (segid "    " and resid "101 " and name "HB2 ")
      3.200     1.300     1.300 peak  4217 weight  0.10000E+01 volume  0.27700E+00 ppm1      5.052 ppm2      2.714
 OR { 4217}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HG1 ")
 ASSI { 4219}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HE2 ")
      3.400     1.400     1.400 peak  4219 weight  0.10000E+01 volume  0.41600E+00 ppm1      5.050 ppm2      2.111
 OR { 4219}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 4219}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "3   " and name "HG1 ")
 OR { 4219}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HE3 ")
 ASSI { 6755}
     (segid "    " and resid "34  " and name "HD1 ")
     (segid "    " and resid "34  " and name "HB2 ")
      2.900     1.100     1.100 peak  6755 weight  0.10000E+01 volume  0.20600E+00 ppm1      3.785 ppm2      1.682
 OR { 6755}
     (segid "    " and resid "34  " and name "HD1 ")
     (segid "    " and resid "32  " and name "HB2 ")
 ASSI { 6763}
     (segid "    " and resid "34  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HE1 ")
      3.400     1.400     1.400 peak  6763 weight  0.10000E+01 volume  0.29800E+00 ppm1      3.234 ppm2      6.928
 OR { 6763}
     (segid "    " and resid "34  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HE2 ")
 OR { 6763}
     (segid "    " and resid "34  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HE1 ")
 ASSI { 4609}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG21")
      3.300     1.400     1.400 peak  4609 weight  0.10000E+01 volume  0.72700E+00 ppm1      4.559 ppm2      0.703
 OR { 4609}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 4609}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 4609}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 4609}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 4609}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 4609}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 4608}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG22")
      3.200     1.300     1.300 peak  4608 weight  0.10000E+01 volume  0.84800E+00 ppm1      4.557 ppm2      0.823
 OR { 4608}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD11")
 OR { 4608}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 4608}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG23")
 OR { 4608}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 4608}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 4608}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 4608}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 4449}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "21  " and name "HG1 ")
      3.300     1.400     1.400 peak  4449 weight  0.10000E+01 volume  0.25300E+00 ppm1      4.974 ppm2      1.713
 OR { 4449}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "92  " and name "HB1 ")
 ASSI { 4992}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "7   " and name "HB1 ")
      2.200     0.600     0.600 peak  4992 weight  0.10000E+01 volume  0.17980E+01 ppm1      0.794 ppm2      1.074
 OR { 4992}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "53  " and name "HB2 ")
 OR { 4992}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "53  " and name "HB2 ")
 ASSI { 7433}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "12  " and name "HB2 ")
      3.300     1.400     1.400 peak  7433 weight  0.10000E+01 volume  0.23900E+00 ppm1      5.078 ppm2      1.521
 OR { 7433}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 7433}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 7433}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "12  " and name "HB2 ")
 OR { 7433}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 5549}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "12  " and name "HB1 ")
      3.100     1.200     1.200 peak  5549 weight  0.10000E+01 volume  0.46200E+00 ppm1      5.071 ppm2      1.351
 OR { 5549}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 5549}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 5549}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "12  " and name "HB1 ")
 OR { 5549}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG  ")
 ASSI { 4647}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB2 ")
      2.300     0.700     0.700 peak  4647 weight  0.10000E+01 volume  0.22300E+01 ppm1      4.543 ppm2      1.880
 OR { 4647}
     (segid "    " and resid "92  " and name "HA  ")
     (segid "    " and resid "92  " and name "HB1 ")
 ASSI { 5548}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "96  " and name "HB  ")
      3.100     1.200     1.200 peak  5548 weight  0.10000E+01 volume  0.38200E+00 ppm1      5.074 ppm2      1.622
 OR { 5548}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 5548}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 5548}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "52  " and name "HE1 ")
 OR { 5548}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "10  " and name "HB2 ")
 OR { 5548}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 4380}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG23")
      3.400     1.400     1.400 peak  4380 weight  0.10000E+01 volume  0.61500E+00 ppm1      4.516 ppm2      0.731
 OR { 4380}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 4380}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 4380}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG22")
 OR { 4380}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 4380}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 4380}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD12")
 ASSI { 5463}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "94  " and name "HA1 ")
      2.300     0.700     0.700 peak  5463 weight  0.10000E+01 volume  0.27850E+01 ppm1      4.615 ppm2      3.706
 OR { 5463}
     (segid "    " and resid "92  " and name "HA  ")
     (segid "    " and resid "93  " and name "HD1 ")
 ASSI { 4651}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "43  " and name "HA  ")
      3.200     1.300     1.300 peak  4651 weight  0.10000E+01 volume  0.38100E+00 ppm1      4.835 ppm2      3.193
 OR { 4651}
     (segid "    " and resid "86  " and name "HA  ")
     (segid "    " and resid "86  " and name "HD1 ")
 OR { 4651}
     (segid "    " and resid "86  " and name "HA  ")
     (segid "    " and resid "86  " and name "HD2 ")
 ASSI { 4547}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "12  " and name "HD12")
      3.200     1.300     1.300 peak  4547 weight  0.10000E+01 volume  0.99700E+00 ppm1      4.900 ppm2      0.725
 OR { 4547}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 4547}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 4547}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 4547}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "12  " and name "HD21")
 OR { 4547}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 4547}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 4547}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 4547}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 4547}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 4547}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 4179}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "107 " and name "HB2 ")
      2.900     1.100     1.100 peak  4179 weight  0.10000E+01 volume  0.55400E+00 ppm1      4.077 ppm2      3.318
 OR { 4179}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "36  " and name "HB2 ")
 ASSI { 4178}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "107 " and name "HB1 ")
      3.100     1.200     1.200 peak  4178 weight  0.10000E+01 volume  0.42800E+00 ppm1      4.077 ppm2      3.482
 OR { 4178}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "2   " and name "HA2 ")
 ASSI { 4623}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD11")
      2.400     0.700     0.700 peak  4623 weight  0.10000E+01 volume  0.57310E+01 ppm1      4.272 ppm2      0.787
 OR { 4623}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD13")
 OR { 4623}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HD12")
 OR { 4623}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 4623}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD22")
 ASSI { 4622}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB2 ")
      1.900     0.500     0.500 peak  4622 weight  0.10000E+01 volume  0.60430E+01 ppm1      4.275 ppm2      1.593
 OR { 4622}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 4622}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 4622}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 4402}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HG2 ")
      1.800     0.400     0.400 peak  4402 weight  0.10000E+01 volume  0.33630E+01 ppm1      2.170 ppm2      2.454
 OR { 4402}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HG1 ")
 OR { 4402}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HG1 ")
 OR { 4402}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HG2 ")
 ASSI { 5252}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "81  " and name "HD1 ")
      2.400     0.700     0.700 peak  5252 weight  0.10000E+01 volume  0.17840E+01 ppm1      5.252 ppm2      3.438
 OR { 5252}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "80  " and name "HB1 ")
 ASSI { 4148}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "31  " and name "HD1 ")
      3.400     1.400     1.400 peak  4148 weight  0.10000E+01 volume  0.65000E+00 ppm1      5.253 ppm2      7.376
 OR { 4148}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 4148}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 4147}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "31  " and name "HE1 ")
      3.300     1.400     1.400 peak  4147 weight  0.10000E+01 volume  0.84000E+00 ppm1      5.253 ppm2      6.937
 OR { 4147}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "80  " and name "HD2 ")
 OR { 4147}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "80  " and name "HD1 ")
 ASSI { 4423}
     (segid "    " and resid "76  " and name "HA  ")
     (segid "    " and resid "76  " and name "HB1 ")
      2.200     0.600     0.600 peak  4423 weight  0.10000E+01 volume  0.25130E+01 ppm1      4.382 ppm2      1.835
 OR { 4423}
     (segid "    " and resid "76  " and name "HA  ")
     (segid "    " and resid "76  " and name "HB2 ")
 OR { 4423}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 5441}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "90  " and name "HA  ")
      3.400     1.400     1.400 peak  5441 weight  0.10000E+01 volume  0.35900E+00 ppm1      4.529 ppm2      4.021
 OR { 5441}
     (segid "    " and resid "95  " and name "HA  ")
     (segid "    " and resid "96  " and name "HA  ")
 OR { 5441}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "90  " and name "HB  ")
 ASSI { 7837}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "106 " and name "HA  ")
      3.700     1.700     1.700 peak  7837 weight  0.10000E+01 volume  0.30900E+00 ppm1      4.948 ppm2      4.528
 OR { 7837}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "89  " and name "HA  ")
 ASSI { 5222}
     (segid "    " and resid "76  " and name "HA  ")
     (segid "    " and resid "76  " and name "HD1 ")
      2.900     1.100     1.100 peak  5222 weight  0.10000E+01 volume  0.61300E+00 ppm1      4.307 ppm2      3.173
 OR { 5222}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 5222}
     (segid "    " and resid "76  " and name "HA  ")
     (segid "    " and resid "76  " and name "HD2 ")
 ASSI { 7836}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "79  " and name "HE1 ")
      4.200     2.200     1.800 peak  7836 weight  0.10000E+01 volume  0.16800E+00 ppm1      4.950 ppm2      6.660
 OR { 7836}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "89  " and name "HE22")
 ASSI { 4930}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "11  " and name "HB2 ")
      3.200     1.300     1.300 peak  4930 weight  0.10000E+01 volume  0.30000E+00 ppm1      5.493 ppm2      1.513
 OR { 4930}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 4930}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "12  " and name "HB2 ")
 OR { 4930}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "52  " and name "HB2 ")
 ASSI { 4542}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD21")
      3.000     1.100     1.100 peak  4542 weight  0.10000E+01 volume  0.13050E+01 ppm1      4.931 ppm2      0.775
 OR { 4542}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 4542}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 4542}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 4542}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG22")
 ASSI { 4537}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "104 " and name "HA  ")
      3.700     1.700     1.700 peak  4537 weight  0.10000E+01 volume  0.32800E+00 ppm1      4.923 ppm2      4.368
 OR { 4537}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 4537}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "91  " and name "HA  ")
 OR { 4537}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 5189}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "47  " and name "HG13")
      4.200     2.200     1.800 peak  5189 weight  0.10000E+01 volume  0.17400E+00 ppm1      5.232 ppm2      0.486
 OR { 5189}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "47  " and name "HG12")
 OR { 5189}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "77  " and name "HD13")
 OR { 5189}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "77  " and name "HD12")
 ASSI { 5187}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "74  " and name "HB2 ")
      3.600     1.600     1.600 peak  5187 weight  0.10000E+01 volume  0.16700E+00 ppm1      5.227 ppm2      1.275
 OR { 5187}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 5187}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 5187}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "74  " and name "HB1 ")
 ASSI { 5185}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "77  " and name "HA  ")
      3.300     1.400     1.400 peak  5185 weight  0.10000E+01 volume  0.65900E+00 ppm1      5.231 ppm2      4.683
 OR { 5185}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "63  " and name "HA2 ")
 OR { 5185}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 5143}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HB2 ")
      2.300     0.700     0.700 peak  5143 weight  0.10000E+01 volume  0.21540E+01 ppm1      4.416 ppm2      1.903
 OR { 5143}
     (segid "    " and resid "53  " and name "HA  ")
     (segid "    " and resid "53  " and name "HG  ")
 ASSI { 5139}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HE22")
      3.900     1.900     1.900 peak  5139 weight  0.10000E+01 volume  0.27300E+00 ppm1      4.417 ppm2      6.907
 OR { 5139}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 5139}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 5614}
     (segid "    " and resid "104 " and name "HA  ")
     (segid "    " and resid "104 " and name "HB1 ")
      2.400     0.700     0.700 peak  5614 weight  0.10000E+01 volume  0.16460E+01 ppm1      4.299 ppm2      1.595
 OR { 5614}
     (segid "    " and resid "53  " and name "HA  ")
     (segid "    " and resid "11  " and name "HB1 ")
 ASSI { 3725}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "79  " and name "HD1 ")
      3.600     1.600     1.600 peak  3725 weight  0.10000E+01 volume  0.41400E+00 ppm1      5.394 ppm2      6.936
 OR { 3725}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HE1 ")
 OR { 3725}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "31  " and name "HE1 ")
 OR { 3725}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HE2 ")
 ASSI { 4826}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG22")
      4.100     2.100     1.900 peak  4826 weight  0.10000E+01 volume  0.20500E+00 ppm1      4.257 ppm2      0.696
 OR { 4826}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD21")
 OR { 4826}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 4826}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 4826}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 4826}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 4826}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG13")
 ASSI { 4825}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG22")
      3.200     1.300     1.300 peak  4825 weight  0.10000E+01 volume  0.64000E+00 ppm1      4.255 ppm2      1.003
 OR { 4825}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "53  " and name "HB2 ")
 OR { 4825}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG23")
 OR { 4825}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG21")
 ASSI { 5600}
     (segid "    " and resid "103 " and name "HA  ")
     (segid "    " and resid "103 " and name "HB2 ")
      2.500     0.800     0.800 peak  5600 weight  0.10000E+01 volume  0.12710E+01 ppm1      4.358 ppm2      3.274
 OR { 5600}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD1 ")
 OR { 5600}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD2 ")
 ASSI { 5647}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HG2 ")
      2.100     0.600     0.600 peak  5647 weight  0.10000E+01 volume  0.34990E+01 ppm1      4.249 ppm2      2.434
 OR { 5647}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "108 " and name "HG2 ")
 OR { 5647}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "108 " and name "HG1 ")
 OR { 5647}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HG1 ")
 ASSI { 5031}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "58  " and name "HG2 ")
      2.800     1.000     1.000 peak  5031 weight  0.10000E+01 volume  0.79500E+00 ppm1      4.299 ppm2      1.410
 OR { 5031}
     (segid "    " and resid "103 " and name "HA  ")
     (segid "    " and resid "102 " and name "HB2 ")
 OR { 5031}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB3 ")
 ASSI { 5646}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "61  " and name "HZ3 ")
      3.900     1.900     1.900 peak  5646 weight  0.10000E+01 volume  0.28200E+00 ppm1      4.249 ppm2      6.799
 OR { 5646}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "108 " and name "HE22")
 OR { 5646}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "106 " and name "HD2 ")
 ASSI { 5427}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "106 " and name "HE2 ")
      3.600     1.600     1.600 peak  5427 weight  0.10000E+01 volume  0.47800E+00 ppm1      4.248 ppm2      6.695
 OR { 5427}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "61  " and name "HZ3 ")
 OR { 5427}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "108 " and name "HE22")
 OR { 5427}
     (segid "    " and resid "108 " and name "HA  ")
     (segid "    " and resid "106 " and name "HD2 ")
 ASSI { 7144}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "70  " and name "HD1 ")
      3.800     1.800     1.800 peak  7144 weight  0.10000E+01 volume  0.29100E+00 ppm1      4.489 ppm2      7.064
 OR { 7144}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "70  " and name "HD2 ")
 OR { 7144}
     (segid "    " and resid "106 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD1 ")
 ASSI { 5399}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB2 ")
      2.700     0.900     0.900 peak  5399 weight  0.10000E+01 volume  0.91200E+00 ppm1      5.342 ppm2      1.583
 OR { 5399}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "86  " and name "HB2 ")
 OR { 5399}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "84  " and name "HG11")
 ASSI { 5401}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "84  " and name "HG12")
      3.400     1.400     1.400 peak  5401 weight  0.10000E+01 volume  0.39100E+00 ppm1      5.339 ppm2      1.189
 OR { 5401}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB3 ")
 OR { 5401}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 5430}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG21")
      3.600     1.600     1.600 peak  5430 weight  0.10000E+01 volume  0.32600E+00 ppm1      4.230 ppm2      0.855
 OR { 5430}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 5430}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 5430}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 5430}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 5430}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 5430}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 5430}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 5430}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 5430}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG12")
 OR { 5430}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG11")
 ASSI { 4399}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG13")
      2.300     0.700     0.700 peak  4399 weight  0.10000E+01 volume  0.32190E+01 ppm1      3.911 ppm2      0.707
 OR { 4399}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HG1 ")
 OR { 4399}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG12")
 ASSI { 7473}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "103 " and name "HD1 ")
      4.300     2.300     1.700 peak  7473 weight  0.10000E+01 volume  0.16500E+00 ppm1      4.002 ppm2      7.078
 OR { 7473}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD1 ")
 ASSI { 6839}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG23")
      5.800     4.200     0.200 peak  6839 weight  0.10000E+01 volume  0.14000E-01 ppm1      4.399 ppm2      1.234
 OR { 6839}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 6839}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG21")
 OR { 6839}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG22")
 ASSI { 4861}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG12")
      6.000     4.500     0.000 peak  4861 weight  0.10000E+01 volume  0.13000E-01 ppm1      4.559 ppm2      0.698
 OR { 4861}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 4861}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 4861}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG13")
 OR { 4861}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 4861}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG11")
 ASSI { 6202}
     (segid "    " and resid "82  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HZ2 ")
      4.000     2.000     2.000 peak  6202 weight  0.10000E+01 volume  0.95000E-01 ppm1      1.777 ppm2      7.547
 OR { 6202}
     (segid "    " and resid "82  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HN  ")
 OR { 6202}
     (segid "    " and resid "82  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD1 ")
 ASSI { 6204}
     (segid "    " and resid "82  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HZ2 ")
      4.000     2.000     2.000 peak  6204 weight  0.10000E+01 volume  0.97000E-01 ppm1      1.395 ppm2      7.552
 OR { 6204}
     (segid "    " and resid "82  " and name "HB1 ")
     (segid "    " and resid "85  " and name "HN  ")
 ASSI { 4906}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "11  " and name "HE2 ")
      2.700     0.900     0.900 peak  4906 weight  0.10000E+01 volume  0.92500E+00 ppm1      4.483 ppm2      2.814
 OR { 4906}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 5556}
     (segid "    " and resid "98  " and name "HA  ")
     (segid "    " and resid "99  " and name "HG1 ")
      3.200     1.300     1.300 peak  5556 weight  0.10000E+01 volume  0.31000E+00 ppm1      4.431 ppm2      1.617
 OR { 5556}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 5556}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "104 " and name "HB1 ")
 OR { 5556}
     (segid "    " and resid "98  " and name "HA  ")
     (segid "    " and resid "99  " and name "HG2 ")
 OR { 5556}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 5338}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "84  " and name "HG11")
      2.600     0.800     0.800 peak  5338 weight  0.10000E+01 volume  0.94800E+00 ppm1      4.336 ppm2      1.622
 OR { 5338}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 4501}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "22  " and name "HB  ")
      2.500     0.800     0.800 peak  4501 weight  0.10000E+01 volume  0.17770E+01 ppm1      4.346 ppm2      1.260
 OR { 4501}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 4500}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "91  " and name "HB1 ")
      3.100     1.200     1.200 peak  4500 weight  0.10000E+01 volume  0.34500E+00 ppm1      4.345 ppm2      1.468
 OR { 4500}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4500}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "91  " and name "HG  ")
 ASSI { 4499}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "91  " and name "HB1 ")
      2.800     1.000     1.000 peak  4499 weight  0.10000E+01 volume  0.73900E+00 ppm1      4.348 ppm2      1.597
 OR { 4499}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "92  " and name "HB2 ")
 OR { 4499}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 4498}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG11")
      2.600     0.800     0.800 peak  4498 weight  0.10000E+01 volume  0.96700E+00 ppm1      4.345 ppm2      1.781
 OR { 4498}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "92  " and name "HB1 ")
 ASSI { 4224}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD1 ")
      3.300     1.400     1.400 peak  4224 weight  0.10000E+01 volume  0.27800E+00 ppm1      4.228 ppm2      3.860
 OR { 4224}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "94  " and name "HA1 ")
 ASSI { 4466}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD21")
      3.900     1.900     1.900 peak  4466 weight  0.10000E+01 volume  0.31000E+00 ppm1      3.513 ppm2      0.744
 OR { 4466}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 4466}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 4466}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 4466}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG11")
 ASSI { 4462}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG11")
      3.400     1.400     1.400 peak  4462 weight  0.10000E+01 volume  0.20700E+00 ppm1      3.512 ppm2      1.738
 OR { 4462}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "21  " and name "HG1 ")
 ASSI { 7398}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "95  " and name "HG2 ")
      3.400     1.400     1.400 peak  7398 weight  0.10000E+01 volume  0.21600E+00 ppm1      4.162 ppm2      1.250
 OR { 7398}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "6   " and name "HG2 ")
 OR { 7398}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "92  " and name "HG2 ")
 ASSI { 5471}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "93  " and name "HD2 ")
      3.200     1.300     1.300 peak  5471 weight  0.10000E+01 volume  0.34900E+00 ppm1      4.162 ppm2      3.585
 OR { 5471}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HD1 ")
 OR { 5471}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "2   " and name "HA2 ")
 ASSI { 5470}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "93  " and name "HD1 ")
      3.000     1.100     1.100 peak  5470 weight  0.10000E+01 volume  0.54200E+00 ppm1      4.164 ppm2      3.700
 OR { 5470}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "94  " and name "HA1 ")
 ASSI { 4194}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HD2 ")
      3.600     1.600     1.600 peak  4194 weight  0.10000E+01 volume  0.18300E+00 ppm1      4.108 ppm2      3.451
 OR { 4194}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "2   " and name "HA2 ")
 ASSI { 4885}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "47  " and name "HG11")
      3.600     1.600     1.600 peak  4885 weight  0.10000E+01 volume  0.50300E+00 ppm1      4.375 ppm2      0.492
 OR { 4885}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "47  " and name "HG12")
 OR { 4885}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "47  " and name "HG13")
 OR { 4885}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 4705}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HG2 ")
      3.000     1.100     1.100 peak  4705 weight  0.10000E+01 volume  0.58900E+00 ppm1      4.237 ppm2      1.332
 OR { 4705}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 5200}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD12")
      3.400     1.400     1.400 peak  5200 weight  0.10000E+01 volume  0.25800E+00 ppm1      3.830 ppm2      0.969
 OR { 5200}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 5200}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD22")
 OR { 5200}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 5200}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 5200}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 5200}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD22")
 OR { 5200}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 5200}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 5200}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "65  " and name "HG11")
 ASSI { 5197}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HA  ")
      3.000     1.100     1.100 peak  5197 weight  0.10000E+01 volume  0.47000E+00 ppm1      3.773 ppm2      4.686
 OR { 5197}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 5197}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HA  ")
 OR { 5197}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HA2 ")
 ASSI { 4936}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD13")
      3.300     1.400     1.400 peak  4936 weight  0.10000E+01 volume  0.26800E+00 ppm1      3.953 ppm2      0.905
 OR { 4936}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 4936}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "98  " and name "HG23")
 OR { 4936}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 5453}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG23")
      3.300     1.400     1.400 peak  5453 weight  0.10000E+01 volume  0.31300E+00 ppm1      4.007 ppm2      0.783
 OR { 5453}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 5453}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 5453}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 5453}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 6764}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HD2 ")
      5.000     3.100     1.000 peak  6764 weight  0.10000E+01 volume -0.54500E+00 ppm1      6.932 ppm2      3.235
 OR { 6764}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "34  " and name "HD2 ")
 ASSI { 6749}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "34  " and name "HD1 ")
      5.000     3.100     1.000 peak  6749 weight  0.10000E+01 volume -0.58200E+00 ppm1      6.930 ppm2      3.785
 OR { 6749}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HD1 ")
 ASSI {  848}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HB  ")
      2.900     1.100     1.100 peak   848 weight  0.10000E+01 volume  0.80900E+00 ppm1      6.684 ppm2      1.869
 OR {  848}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 6720}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HB2 ")
      3.300     1.400     1.400 peak  6720 weight  0.10000E+01 volume  0.10610E+01 ppm1      6.926 ppm2      1.322
 OR { 6720}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB3 ")
 OR { 6720}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB1 ")
 OR { 6720}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HB3 ")
 OR { 6720}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 6713}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     3.100     1.000 peak  6713 weight  0.10000E+01 volume -0.76600E+00 ppm1      6.932 ppm2      4.057
 OR { 6713}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "33  " and name "HA  ")
 ASSI { 7147}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "106 " and name "HA  ")
      5.000     3.100     1.000 peak  7147 weight  0.10000E+01 volume -0.93100E+00 ppm1      6.677 ppm2      4.487
 OR { 7147}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 7147}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 7132}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "66  " and name "HB1 ")
      3.200     1.300     1.300 peak  7132 weight  0.10000E+01 volume  0.46500E+00 ppm1      6.768 ppm2      2.194
 OR { 7132}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "108 " and name "HB1 ")
 OR { 7132}
     (segid "    " and resid "106 " and name "HE1 ")
     (segid "    " and resid "108 " and name "HB1 ")
 OR { 7132}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "66  " and name "HB1 ")
 ASSI { 7559}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD21")
      3.100     1.200     1.200 peak  7559 weight  0.10000E+01 volume  0.82700E+00 ppm1      6.905 ppm2      0.791
 OR { 7559}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 7559}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 7559}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG  ")
 ASSI { 7556}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG21")
      3.400     1.400     1.400 peak  7556 weight  0.10000E+01 volume  0.12100E+01 ppm1      6.903 ppm2      0.910
 OR { 7556}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 7556}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 7556}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 7556}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD13")
 ASSI { 6268}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD12")
      3.200     1.300     1.300 peak  6268 weight  0.10000E+01 volume  0.12180E+01 ppm1      6.839 ppm2      0.530
 OR { 6268}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 6268}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "7   " and name "HD13")
 OR { 6268}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD12")
 OR { 6268}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 6268}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD13")
 ASSI { 7064}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HG  ")
      3.100     1.200     1.200 peak  7064 weight  0.10000E+01 volume  0.79500E+00 ppm1      7.027 ppm2      0.817
 OR { 7064}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HG  ")
 OR { 7064}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 7064}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 7064}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 7064}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "53  " and name "HD21")
 ASSI { 7173}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB3 ")
      3.900     1.900     1.900 peak  7173 weight  0.10000E+01 volume  0.48700E+00 ppm1      7.128 ppm2      1.263
 OR { 7173}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 7173}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 7173}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 7173}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 7173}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 ASSI { 7263}
     (segid "    " and resid "60  " and name "HE1 ")
     (segid "    " and resid "81  " and name "HG1 ")
      3.000     1.100     1.100 peak  7263 weight  0.10000E+01 volume  0.61800E+00 ppm1      7.399 ppm2      1.920
 OR { 7263}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "17  " and name "HB2 ")
 OR { 7263}
     (segid "    " and resid "60  " and name "HE2 ")
     (segid "    " and resid "81  " and name "HG1 ")
 ASSI { 6611}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD11")
      2.600     0.800     0.800 peak  6611 weight  0.10000E+01 volume  0.13380E+01 ppm1      6.910 ppm2      0.780
 OR { 6611}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 6611}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 6611}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 6611}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 6611}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HD23")
 ASSI { 7134}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG1 ")
      5.000     3.100     1.000 peak  7134 weight  0.10000E+01 volume -0.63600E+00 ppm1      6.907 ppm2      2.395
 OR { 7134}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG2 ")
 OR { 7134}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "66  " and name "HG1 ")
 OR { 7134}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 7134}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 7134}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 7135}
     (segid "    " and resid "106 " and name "HD1 ")
     (segid "    " and resid "108 " and name "HG1 ")
      5.000     3.100     1.000 peak  7135 weight  0.10000E+01 volume -0.12310E+01 ppm1      6.791 ppm2      2.436
 OR { 7135}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "108 " and name "HG1 ")
 OR { 7135}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "108 " and name "HG2 ")
 OR { 7135}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 7135}
     (segid "    " and resid "43  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HG1 ")
 ASSI { 7176}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HB1 ")
      3.000     1.100     1.100 peak  7176 weight  0.10000E+01 volume  0.85600E+00 ppm1      6.842 ppm2      1.270
 OR { 7176}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 7176}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "75  " and name "HB2 ")
 OR { 7176}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 7176}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 7176}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "75  " and name "HB3 ")
 OR { 7176}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 7176}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "75  " and name "HB3 ")
 OR { 7176}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 7519}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "45  " and name "HB1 ")
      2.900     1.100     1.100 peak  7519 weight  0.10000E+01 volume  0.33100E+00 ppm1      6.790 ppm2      2.221
 OR { 7519}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "108 " and name "HB1 ")
 ASSI { 6599}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HB2 ")
      2.600     0.800     0.800 peak  6599 weight  0.10000E+01 volume  0.53900E+00 ppm1      7.355 ppm2      1.715
 OR { 6599}
     (segid "    " and resid "86  " and name "HA  ")
     (segid "    " and resid "86  " and name "HB2 ")
 ASSI { 6712}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     3.100     1.000 peak  6712 weight  0.10000E+01 volume -0.57400E+00 ppm1      7.360 ppm2      4.019
 OR { 6712}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "33  " and name "HA  ")
 OR { 6712}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HA  ")
 ASSI { 6354}
     (segid "    " and resid "86  " and name "HA  ")
     (segid "    " and resid "86  " and name "HG2 ")
      2.800     1.000     1.000 peak  6354 weight  0.10000E+01 volume  0.51900E+00 ppm1      7.351 ppm2      1.324
 OR { 6354}
     (segid "    " and resid "77  " and name "HA  ")
     (segid "    " and resid "77  " and name "HG  ")
 ASSI { 6278}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD22")
      3.800     1.800     1.800 peak  6278 weight  0.10000E+01 volume  0.33300E+00 ppm1      7.343 ppm2     -0.065
 OR { 6278}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 6278}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 6278}
     (segid "    " and resid "5   " and name "HG1 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 6278}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 6278}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD23")
 ASSI { 7353}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "87  " and name "HG2 ")
      5.000     3.100     1.000 peak  7353 weight  0.10000E+01 volume -0.33000E+00 ppm1      0.850 ppm2      2.151
 OR { 7353}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "87  " and name "HG2 ")
 OR { 7353}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "84  " and name "HB  ")
 OR { 7353}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "84  " and name "HB  ")
 ASSI { 6593}
     (segid "    " and resid "75  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HA  ")
      5.000     3.100     1.000 peak  6593 weight  0.10000E+01 volume -0.53400E+00 ppm1      1.257 ppm2      4.254
 OR { 6593}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 6593}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 6593}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI { 7139}
     (segid "    " and resid "75  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HB2 ")
      5.000     3.100     1.000 peak  7139 weight  0.10000E+01 volume -0.85500E+00 ppm1      1.272 ppm2      2.637
 OR { 7139}
     (segid "    " and resid "75  " and name "HB3 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 7139}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 7139}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 7139}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 7139}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 7434}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "13  " and name "HA  ")
      6.000     4.500     0.000 peak  7434 weight  0.10000E+01 volume -0.23800E+00 ppm1      1.259 ppm2      5.062
 OR { 7434}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HA  ")
 OR { 7434}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HA  ")
 OR { 7434}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HA  ")
 ASSI { 6802}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HD1 ")
      3.700     1.700     1.700 peak  6802 weight  0.10000E+01 volume  0.71300E+00 ppm1      1.318 ppm2      7.378
 OR { 6802}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 6802}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 6802}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD2 ")
 OR { 6802}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 6850}
     (segid "    " and resid "47  " and name "HG23")
     (segid "    " and resid "41  " and name "HB  ")
      5.000     3.100     1.000 peak  6850 weight  0.10000E+01 volume -0.36600E+00 ppm1      0.486 ppm2      1.520
 OR { 6850}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 6850}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 6850}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 6850}
     (segid "    " and resid "85  " and name "HG11")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 6850}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 6850}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "41  " and name "HB  ")
 ASSI { 6561}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "26  " and name "HA  ")
      3.600     1.600     1.600 peak  6561 weight  0.10000E+01 volume  0.46300E+00 ppm1      0.485 ppm2      4.835
 OR { 6561}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 6561}
     (segid "    " and resid "47  " and name "HG23")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 6561}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 6544}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "25  " and name "HA  ")
      5.000     3.100     1.000 peak  6544 weight  0.10000E+01 volume -0.33400E+00 ppm1      0.491 ppm2      5.288
 OR { 6544}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 6544}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 6544}
     (segid "    " and resid "85  " and name "HG11")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 6544}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 6544}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 6412}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "16  " and name "HB2 ")
      3.000     1.100     1.100 peak  6412 weight  0.10000E+01 volume  0.65500E+00 ppm1      0.905 ppm2      2.142
 OR { 6412}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "16  " and name "HB1 ")
 OR { 6412}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 6412}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 6412}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "16  " and name "HB1 ")
 OR { 6412}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 4950}
     (segid "    " and resid "65  " and name "HG22")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     3.100     1.000 peak  4950 weight  0.10000E+01 volume -0.77800E+00 ppm1      1.035 ppm2      4.416
 OR { 4950}
     (segid "    " and resid "90  " and name "HG21")
     (segid "    " and resid "91  " and name "HA  ")
 OR { 4950}
     (segid "    " and resid "90  " and name "HG22")
     (segid "    " and resid "91  " and name "HA  ")
 OR { 4950}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 4950}
     (segid "    " and resid "90  " and name "HG23")
     (segid "    " and resid "91  " and name "HA  ")
 ASSI { 6586}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "27  " and name "HB3 ")
      4.200     2.200     1.800 peak  6586 weight  0.10000E+01 volume  0.29400E+00 ppm1      0.865 ppm2      1.396
 OR { 6586}
     (segid "    " and resid "28  " and name "HD13")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6586}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 6586}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6586}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "27  " and name "HB3 ")
 OR { 6586}
     (segid "    " and resid "28  " and name "HD12")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 6586}
     (segid "    " and resid "28  " and name "HD12")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6586}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "27  " and name "HB3 ")
 OR { 6586}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "27  " and name "HB3 ")
 OR { 6586}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 6405}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "15  " and name "HB1 ")
      5.000     3.100     1.000 peak  6405 weight  0.10000E+01 volume -0.95700E+00 ppm1      0.699 ppm2      2.954
 OR { 6405}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 6405}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "15  " and name "HB1 ")
 OR { 6405}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "15  " and name "HB1 ")
 OR { 6405}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "15  " and name "HB1 ")
 OR { 6405}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "15  " and name "HB1 ")
 ASSI { 6404}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     3.100     1.000 peak  6404 weight  0.10000E+01 volume -0.81100E+00 ppm1      0.699 ppm2      2.784
 OR { 6404}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "15  " and name "HB2 ")
 OR { 6404}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "15  " and name "HB2 ")
 OR { 6404}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "15  " and name "HB2 ")
 OR { 6404}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "15  " and name "HB2 ")
 ASSI { 6912}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "44  " and name "HA2 ")
      5.000     3.100     1.000 peak  6912 weight  0.10000E+01 volume -0.31900E+00 ppm1      0.864 ppm2      3.517
 OR { 6912}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "44  " and name "HA2 ")
 OR { 6912}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "44  " and name "HA2 ")
 OR { 6912}
     (segid "    " and resid "28  " and name "HD13")
     (segid "    " and resid "44  " and name "HA2 ")
 OR { 6912}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "44  " and name "HA2 ")
 OR { 6912}
     (segid "    " and resid "28  " and name "HD12")
     (segid "    " and resid "44  " and name "HA2 ")
 ASSI { 7440}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "50  " and name "HA  ")
      3.400     1.400     1.400 peak  7440 weight  0.10000E+01 volume  0.57800E+00 ppm1      0.704 ppm2      4.431
 OR { 7440}
     (segid "    " and resid "49  " and name "HG12")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 7440}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "98  " and name "HA  ")
 OR { 7440}
     (segid "    " and resid "49  " and name "HG11")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 6939}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "45  " and name "HG2 ")
      5.000     3.100     1.000 peak  6939 weight  0.10000E+01 volume -0.49600E+00 ppm1      1.053 ppm2      2.471
 OR { 6939}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 6939}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "45  " and name "HG2 ")
 OR { 6939}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "45  " and name "HG2 ")
 OR { 6939}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 6939}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 6939}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 6939}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "45  " and name "HG2 ")
 ASSI { 6983}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "47  " and name "HG11")
      2.900     1.100     1.100 peak  6983 weight  0.10000E+01 volume  0.29400E+01 ppm1      1.056 ppm2      0.475
 OR { 6983}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "85  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "85  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "85  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "47  " and name "HG11")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "47  " and name "HG11")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "47  " and name "HG22")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "47  " and name "HG21")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "47  " and name "HG21")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6983}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "47  " and name "HG21")
 ASSI { 6982}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "47  " and name "HG11")
      3.000     1.100     1.100 peak  6982 weight  0.10000E+01 volume  0.23340E+01 ppm1      1.114 ppm2      0.473
 OR { 6982}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "85  " and name "HG13")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "85  " and name "HG13")
 OR { 6982}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6982}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "85  " and name "HG13")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "47  " and name "HG11")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "47  " and name "HG11")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6982}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6982}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "47  " and name "HG21")
 OR { 6982}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6982}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6982}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "47  " and name "HG21")
 ASSI { 6511}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HA  ")
      5.000     3.100     1.000 peak  6511 weight  0.10000E+01 volume -0.36100E+00 ppm1      1.186 ppm2      4.895
 OR { 6511}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 7011}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "69  " and name "HE1 ")
      3.500     1.500     1.500 peak  7011 weight  0.10000E+01 volume  0.40300E+00 ppm1      0.739 ppm2      6.745
 OR { 7011}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "69  " and name "HE2 ")
 OR { 7011}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "69  " and name "HE2 ")
 OR { 7011}
     (segid "    " and resid "102 " and name "HG1 ")
     (segid "    " and resid "106 " and name "HE1 ")
 OR { 7011}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "69  " and name "HE2 ")
 ASSI { 7397}
     (segid "    " and resid "95  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HA  ")
      3.000     1.100     1.100 peak  7397 weight  0.10000E+01 volume  0.36400E+00 ppm1      1.256 ppm2      4.136
 OR { 7397}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 7462}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "60  " and name "HB1 ")
      5.000     3.100     1.000 peak  7462 weight  0.10000E+01 volume -0.33200E+00 ppm1     -0.059 ppm2      3.036
 OR { 7462}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 7462}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "60  " and name "HB2 ")
 OR { 7462}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "60  " and name "HB1 ")
 ASSI { 6595}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HA  ")
      3.300     1.400     1.400 peak  6595 weight  0.10000E+01 volume -0.20040E+01 ppm1      0.780 ppm2      4.250
 OR { 6595}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 6595}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 6595}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "28  " and name "HA  ")
 OR { 6595}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 6400}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "74  " and name "HB3 ")
      4.100     2.100     1.900 peak  6400 weight  0.10000E+01 volume  0.36200E+00 ppm1      0.530 ppm2      1.271
 OR { 6400}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 6400}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "74  " and name "HB1 ")
 ASSI { 7086}
     (segid "    " and resid "58  " and name "HG1 ")
     (segid "    " and resid "57  " and name "HA1 ")
      5.000     3.100     1.000 peak  7086 weight  0.10000E+01 volume -0.89500E+00 ppm1      1.717 ppm2      4.687
 OR { 7086}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "57  " and name "HA1 ")
 OR { 7086}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "57  " and name "HA1 ")
 ASSI { 6922}
     (segid "    " and resid "56  " and name "HG1 ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     3.100     1.000 peak  6922 weight  0.10000E+01 volume -0.13300E+01 ppm1      1.742 ppm2      4.310
 OR { 6922}
     (segid "    " and resid "58  " and name "HG1 ")
     (segid "    " and resid "58  " and name "HA  ")
 OR { 6922}
     (segid "    " and resid "56  " and name "HG2 ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 6893}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "21  " and name "HB1 ")
      2.100     0.600     0.600 peak  6893 weight  0.10000E+01 volume  0.15790E+01 ppm1      1.432 ppm2      1.427
 OR { 6893}
     (segid "    " and resid "43  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 7240}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "80  " and name "HD1 ")
      3.200     1.300     1.300 peak  7240 weight  0.10000E+01 volume  0.45400E+00 ppm1      1.570 ppm2      6.929
 OR { 7240}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "80  " and name "HD2 ")
 ASSI { 6800}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD2 ")
      3.300     1.400     1.400 peak  6800 weight  0.10000E+01 volume  0.34500E+00 ppm1      1.498 ppm2      7.365
 OR { 6800}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 6800}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 6800}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "31  " and name "HD1 ")
 ASSI { 7186}
     (segid "    " and resid "28  " and name "HG  ")
     (segid "    " and resid "28  " and name "HA  ")
      3.300     1.400     1.400 peak  7186 weight  0.10000E+01 volume -0.30880E+01 ppm1      1.555 ppm2      4.315
 OR { 7186}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 7186}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HA  ")
 OR { 7186}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HA  ")
 ASSI { 7160}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "79  " and name "HE2 ")
      3.400     1.400     1.400 peak  7160 weight  0.10000E+01 volume  0.28900E+00 ppm1      1.813 ppm2      6.667
 OR { 7160}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "79  " and name "HE2 ")
 OR { 7160}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "79  " and name "HE2 ")
 ASSI { 6911}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HD2 ")
      2.700     0.900     0.900 peak  6911 weight  0.10000E+01 volume -0.48990E+01 ppm1      1.546 ppm2      3.176
 OR { 6911}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 6911}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 6911}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HD1 ")
 OR { 6911}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HD1 ")
 ASSI { 6664}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "39  " and name "HA  ")
      5.000     3.100     1.000 peak  6664 weight  0.10000E+01 volume -0.10560E+01 ppm1      1.669 ppm2      4.739
 OR { 6664}
     (segid "    " and resid "86  " and name "HG1 ")
     (segid "    " and resid "86  " and name "HA  ")
 ASSI {  737}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HA  ")
      2.500     0.800     0.800 peak   737 weight  0.10000E+01 volume  0.10790E+01 ppm1      2.034 ppm2      4.150
 OR {  737}
     (segid "    " and resid "5   " and name "HG1 ")
     (segid "    " and resid "5   " and name "HA  ")
 OR {  737}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HA  ")
 ASSI { 7396}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HA  ")
      2.400     0.700     0.700 peak  7396 weight  0.10000E+01 volume  0.14360E+01 ppm1      1.928 ppm2      4.168
 OR { 7396}
     (segid "    " and resid "3   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 7396}
     (segid "    " and resid "5   " and name "HG1 ")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 7396}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 6320}
     (segid "    " and resid "92  " and name "HD2 ")
     (segid "    " and resid "92  " and name "HB2 ")
      5.000     3.100     1.000 peak  6320 weight  0.10000E+01 volume -0.12010E+01 ppm1      1.469 ppm2      1.584
 OR { 6320}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HB2 ")
 ASSI { 1094}
     (segid "    " and resid "92  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HD1 ")
      5.000     3.100     1.000 peak  1094 weight  0.10000E+01 volume -0.38600E+00 ppm1      1.482 ppm2      3.579
 OR { 1094}
     (segid "    " and resid "92  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HD2 ")
 ASSI { 1091}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HD2 ")
      5.000     3.100     1.000 peak  1091 weight  0.10000E+01 volume -0.36000E+00 ppm1      1.593 ppm2      3.580
 OR { 1091}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HD1 ")
 ASSI { 6465}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HG1 ")
      2.000     0.500     0.500 peak  6465 weight  0.10000E+01 volume  0.18470E+01 ppm1      2.002 ppm2      1.732
 OR { 6465}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HG2 ")
 OR { 6465}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HG1 ")
 ASSI { 7522}
     (segid "    " and resid "108 " and name "HB1 ")
     (segid "    " and resid "108 " and name "HG2 ")
      2.700     0.900     0.900 peak  7522 weight  0.10000E+01 volume -0.56270E+01 ppm1      2.206 ppm2      2.424
 OR { 7522}
     (segid "    " and resid "66  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG1 ")
 OR { 7522}
     (segid "    " and resid "66  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG2 ")
 OR { 7522}
     (segid "    " and resid "108 " and name "HB1 ")
     (segid "    " and resid "108 " and name "HG1 ")
 ASSI { 6619}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HD22")
      3.300     1.400     1.400 peak  6619 weight  0.10000E+01 volume  0.34200E+00 ppm1      1.921 ppm2      0.780
 OR { 6619}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 6619}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 6619}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 6619}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 6619}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 6619}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 7395}
     (segid "    " and resid "93  " and name "HB1 ")
     (segid "    " and resid "93  " and name "HA  ")
      2.100     0.600     0.600 peak  7395 weight  0.10000E+01 volume  0.28830E+01 ppm1      2.230 ppm2      4.207
 OR { 7395}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 6776}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HE2 ")
      5.000     3.100     1.000 peak  6776 weight  0.10000E+01 volume -0.40600E+00 ppm1      1.946 ppm2      3.074
 OR { 6776}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HE1 ")
 OR { 6776}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "35  " and name "HB1 ")
 ASSI { 7026}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG11")
      3.300     1.400     1.400 peak  7026 weight  0.10000E+01 volume -0.20930E+01 ppm1      2.468 ppm2      0.689
 OR { 7026}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 7026}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 7026}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "96  " and name "HG13")
 ASSI { 7019}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "98  " and name "HG13")
      5.000     3.100     1.000 peak  7019 weight  0.10000E+01 volume -0.76200E+00 ppm1      2.462 ppm2      1.071
 OR { 7019}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "98  " and name "HG13")
 OR { 7019}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG23")
 OR { 7019}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG22")
 OR { 7019}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG21")
 ASSI {  864}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HD1 ")
      2.500     0.800     0.800 peak   864 weight  0.10000E+01 volume  0.53900E+00 ppm1      1.811 ppm2      3.583
 OR {  864}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "93  " and name "HD2 ")
 ASSI { 1050}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HD1 ")
      2.600     0.800     0.800 peak  1050 weight  0.10000E+01 volume  0.42700E+00 ppm1      1.591 ppm2      3.579
 OR { 1050}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "93  " and name "HD2 ")
 ASSI { 6540}
     (segid "    " and resid "85  " and name "HB  ")
     (segid "    " and resid "25  " and name "HA  ")
      3.100     1.200     1.200 peak  6540 weight  0.10000E+01 volume  0.28700E+00 ppm1      1.799 ppm2      5.273
 OR { 6540}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 6325}
     (segid "    " and resid "10  " and name "HB1 ")
     (segid "    " and resid "10  " and name "HD1 ")
      2.600     0.800     0.800 peak  6325 weight  0.10000E+01 volume  0.37100E+00 ppm1      1.991 ppm2      3.303
 OR { 6325}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 6325}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 7341}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "85  " and name "HG21")
      5.000     3.100     1.000 peak  7341 weight  0.10000E+01 volume -0.30600E+00 ppm1      2.497 ppm2      0.836
 OR { 7341}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 7341}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 7341}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 4132}
     (segid "    " and resid "70  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HA  ")
      2.100     0.600     0.600 peak  4132 weight  0.10000E+01 volume  0.27310E+01 ppm1      2.835 ppm2      4.450
 OR { 4132}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 4132}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 7179}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "75  " and name "HB2 ")
      5.000     3.100     1.000 peak  7179 weight  0.10000E+01 volume -0.42400E+00 ppm1      2.773 ppm2      1.265
 OR { 7179}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 7179}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "75  " and name "HB3 ")
 OR { 7179}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 7179}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 7151}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "79  " and name "HE1 ")
      5.000     3.100     1.000 peak  7151 weight  0.10000E+01 volume -0.41500E+00 ppm1      2.631 ppm2      6.751
 OR { 7151}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HE2 ")
 OR { 7151}
     (segid "    " and resid "105 " and name "HB2 ")
     (segid "    " and resid "79  " and name "HE2 ")
 ASSI { 6640}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "68  " and name "HA  ")
      2.100     0.600     0.600 peak  6640 weight  0.10000E+01 volume  0.31770E+01 ppm1      2.624 ppm2      4.614
 OR { 6640}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 6640}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI { 7391}
     (segid "    " and resid "54  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HG1 ")
      3.300     1.400     1.400 peak  7391 weight  0.10000E+01 volume -0.36960E+01 ppm1      2.846 ppm2      1.366
 OR { 7391}
     (segid "    " and resid "54  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 7391}
     (segid "    " and resid "92  " and name "HE2 ")
     (segid "    " and resid "92  " and name "HG2 ")
 OR { 7391}
     (segid "    " and resid "92  " and name "HE1 ")
     (segid "    " and resid "92  " and name "HG2 ")
 OR { 7391}
     (segid "    " and resid "54  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 6626}
     (segid "    " and resid "91  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD23")
      3.300     1.400     1.400 peak  6626 weight  0.10000E+01 volume -0.27010E+01 ppm1      1.516 ppm2      0.780
 OR { 6626}
     (segid "    " and resid "91  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 6626}
     (segid "    " and resid "91  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 6626}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 6626}
     (segid "    " and resid "91  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD22")
 ASSI { 7445}
     (segid "    " and resid "10  " and name "HD2 ")
     (segid "    " and resid "99  " and name "HA  ")
      3.100     1.200     1.200 peak  7445 weight  0.10000E+01 volume  0.31200E+00 ppm1      3.088 ppm2      4.597
 OR { 7445}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 6308}
     (segid "    " and resid "10  " and name "HD2 ")
     (segid "    " and resid "10  " and name "HA  ")
      3.000     1.100     1.100 peak  6308 weight  0.10000E+01 volume  0.33900E+00 ppm1      3.092 ppm2      5.208
 OR { 6308}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "10  " and name "HA  ")
 ASSI { 7444}
     (segid "    " and resid "107 " and name "HB2 ")
     (segid "    " and resid "106 " and name "HA  ")
      3.100     1.200     1.200 peak  7444 weight  0.10000E+01 volume  0.29500E+00 ppm1      3.307 ppm2      4.580
 OR { 7444}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "99  " and name "HA  ")
 OR { 7444}
     (segid "    " and resid "10  " and name "HD1 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 6307}
     (segid "    " and resid "10  " and name "HD1 ")
     (segid "    " and resid "10  " and name "HA  ")
      3.000     1.100     1.100 peak  6307 weight  0.10000E+01 volume  0.36500E+00 ppm1      3.304 ppm2      5.235
 OR { 6307}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "10  " and name "HA  ")
 ASSI { 6660}
     (segid "    " and resid "58  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HA  ")
      2.700     0.900     0.900 peak  6660 weight  0.10000E+01 volume  0.70300E+00 ppm1      3.160 ppm2      4.749
 OR { 6660}
     (segid "    " and resid "58  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HA  ")
 OR { 6660}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "86  " and name "HA  ")
 ASSI { 6350}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HG  ")
      3.300     1.400     1.400 peak  6350 weight  0.10000E+01 volume -0.24630E+01 ppm1      1.355 ppm2      1.324
 OR { 6350}
     (segid "    " and resid "77  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 6350}
     (segid "    " and resid "77  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HG  ")
 ASSI { 6349}
     (segid "    " and resid "12  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HG  ")
      5.000     3.100     1.000 peak  6349 weight  0.10000E+01 volume -0.16950E+01 ppm1      1.512 ppm2      1.373
 OR { 6349}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "41  " and name "HG11")
 ASSI { 6527}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HB1 ")
      5.000     3.100     1.000 peak  6527 weight  0.10000E+01 volume -0.62900E+00 ppm1      3.583 ppm2      2.198
 OR { 6527}
     (segid "    " and resid "3   " and name "HD1 ")
     (segid "    " and resid "3   " and name "HB1 ")
 ASSI { 5068}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "60  " and name "HD1 ")
      3.500     1.500     1.500 peak  5068 weight  0.10000E+01 volume  0.41800E+00 ppm1      0.792 ppm2      6.991
 OR { 5068}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "60  " and name "HD1 ")
 OR { 5068}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "60  " and name "HD2 ")
 OR { 5068}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "60  " and name "HD2 ")
 OR { 5068}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "60  " and name "HD1 ")
 ASSI { 6901}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "58  " and name "HD1 ")
      2.700     0.900     0.900 peak  6901 weight  0.10000E+01 volume  0.63900E+00 ppm1      4.299 ppm2      3.214
 OR { 6901}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD1 ")
 OR { 6901}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "58  " and name "HD2 ")
 OR { 6901}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD2 ")
 ASSI { 7358}
     (segid "    " and resid "90  " and name "HA  ")
     (segid "    " and resid "89  " and name "HA  ")
      5.000     3.100     1.000 peak  7358 weight  0.10000E+01 volume -0.30400E+00 ppm1      4.023 ppm2      4.514
 OR { 7358}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "95  " and name "HA  ")
 ASSI { 5900}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     3.100     1.000 peak  5900 weight  0.10000E+01 volume -0.11290E+01 ppm1      7.737 ppm2      4.301
 OR { 5900}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
 ASSI { 3248}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      5.000     3.100     1.000 peak  3248 weight  0.10000E+01 volume -0.38600E+00 ppm1      8.498 ppm2      4.537
 OR { 3248}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "92  " and name "HA  ")
 ASSI { 5979}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG21")
      6.000     4.500     0.000 peak  5979 weight  0.10000E+01 volume  0.33400E+00 ppm1      8.478 ppm2      1.065
 OR { 5979}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG12")
 OR { 5979}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 5979}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG11")
 OR { 5979}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG13")
 ASSI { 6166}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HB2 ")
      2.800     1.000     1.000 peak  6166 weight  0.10000E+01 volume  0.13570E+01 ppm1      7.866 ppm2      1.821
 OR { 6166}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "86  " and name "HB1 ")
 ASSI { 1910}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB1 ")
      2.700     0.900     0.900 peak  1910 weight  0.10000E+01 volume  0.21640E+01 ppm1      7.843 ppm2      2.194
 OR { 1910}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB1 ")
 OR { 1910}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB2 ")
 ASSI { 1998}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "4   " and name "HE1 ")
      6.000     4.500     0.000 peak  1998 weight  0.10000E+01 volume  0.56100E+00 ppm1      8.730 ppm2      2.119
 OR { 1998}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "4   " and name "HE3 ")
 OR { 1998}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 1998}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 1998}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 1597}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HG1 ")
      5.000     3.100     1.000 peak  1597 weight  0.10000E+01 volume -0.38600E+00 ppm1      9.368 ppm2      1.593
 OR { 1597}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 1597}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HG2 ")
 OR { 1597}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 6004}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HD1 ")
      3.800     1.800     1.800 peak  6004 weight  0.10000E+01 volume  0.26000E+00 ppm1      7.891 ppm2      3.172
 OR { 6004}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 6004}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HD2 ")
 ASSI { 6074}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG2 ")
      6.000     4.500     0.000 peak  6074 weight  0.10000E+01 volume -0.29200E+00 ppm1      8.603 ppm2      1.409
 OR { 6074}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG  ")
 ASSI { 6073}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG1 ")
      5.000     3.100     1.000 peak  6073 weight  0.10000E+01 volume -0.59800E+00 ppm1      8.599 ppm2      1.643
 OR { 6073}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "28  " and name "HG  ")
 ASSI { 5824}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG22")
      6.000     4.500     0.000 peak  5824 weight  0.10000E+01 volume -0.26600E+00 ppm1      9.188 ppm2      1.068
 OR { 5824}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG21")
 OR { 5824}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG12")
 OR { 5824}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG13")
 OR { 5824}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG11")
 ASSI { 6148}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "97  " and name "HB1 ")
      3.300     1.400     1.400 peak  6148 weight  0.10000E+01 volume  0.56300E+00 ppm1      9.292 ppm2      2.776
 OR { 6148}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 2279}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
      3.500     1.500     1.500 peak  2279 weight  0.10000E+01 volume  0.43000E+00 ppm1      9.440 ppm2      1.796
 OR { 2279}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB  ")
 OR { 2279}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB  ")
 ASSI { 6143}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
      6.000     4.500     0.000 peak  6143 weight  0.10000E+01 volume -0.28600E+00 ppm1      8.372 ppm2      1.590
 OR { 6143}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB2 ")
 ASSI { 3133}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "79  " and name "HD2 ")
      4.300     2.300     1.700 peak  3133 weight  0.10000E+01 volume  0.22200E+00 ppm1      9.274 ppm2      6.940
 OR { 3133}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 3133}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 3135}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
      3.700     1.700     1.700 peak  3135 weight  0.10000E+01 volume  0.17900E+00 ppm1      9.276 ppm2      8.779
 OR { 3135}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "80  " and name "HN  ")
 ASSI { 3059}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD1 ")
      3.900     1.900     1.900 peak  3059 weight  0.10000E+01 volume  0.18300E+00 ppm1      7.743 ppm2      3.178
 OR { 3059}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD2 ")
 OR { 3059}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD2 ")
 ASSI { 3057}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD22")
      4.000     2.000     2.000 peak  3057 weight  0.10000E+01 volume  0.21200E+00 ppm1      7.744 ppm2      0.778
 OR { 3057}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "7   " and name "HG  ")
 OR { 3057}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 3057}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD23")
 ASSI { 3061}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "7   " and name "HB1 ")
      4.000     2.000     2.000 peak  3061 weight  0.10000E+01 volume  0.15400E+00 ppm1      7.732 ppm2      1.088
 OR { 3061}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB2 ")
 ASSI { 3060}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "7   " and name "HB2 ")
      4.100     2.100     1.900 peak  3060 weight  0.10000E+01 volume  0.15700E+00 ppm1      7.735 ppm2      0.909
 OR { 3060}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 3060}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 3060}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD13")
 ASSI { 3047}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG1 ")
      2.600     0.800     0.800 peak  3047 weight  0.10000E+01 volume  0.24870E+01 ppm1      7.736 ppm2      1.714
 OR { 3047}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 3047}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
 OR { 3047}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
 ASSI { 3049}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      2.700     0.900     0.900 peak  3049 weight  0.10000E+01 volume  0.13020E+01 ppm1      7.736 ppm2      4.301
 OR { 3049}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
 ASSI { 3056}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA2 ")
      3.600     1.600     1.600 peak  3056 weight  0.10000E+01 volume  0.22700E+00 ppm1      7.736 ppm2      3.841
 OR { 3056}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "7   " and name "HA  ")
 ASSI { 2596}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG11")
      3.500     1.500     1.500 peak  2596 weight  0.10000E+01 volume  0.33000E+00 ppm1      7.620 ppm2      1.747
 OR { 2596}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 2591}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HN  ")
      3.000     1.100     1.100 peak  2591 weight  0.10000E+01 volume  0.59700E+00 ppm1      7.619 ppm2      8.972
 OR { 2591}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "91  " and name "HN  ")
 ASSI { 2747}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "38  " and name "HE1 ")
      4.200     2.200     1.800 peak  2747 weight  0.10000E+01 volume  0.25300E+00 ppm1      7.408 ppm2      6.860
 OR { 2747}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "38  " and name "HE2 ")
 OR { 2747}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "31  " and name "HE1 ")
 ASSI { 2599}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG23")
      3.800     1.800     1.800 peak  2599 weight  0.10000E+01 volume  0.23800E+00 ppm1      7.620 ppm2      1.011
 OR { 2599}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG21")
 OR { 2599}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2599}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG22")
 ASSI { 2600}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      3.600     1.600     1.600 peak  2600 weight  0.10000E+01 volume  0.20000E+00 ppm1      7.625 ppm2      4.461
 OR { 2600}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 2593}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
      3.300     1.400     1.400 peak  2593 weight  0.10000E+01 volume  0.50600E+00 ppm1      7.623 ppm2      1.462
 OR { 2593}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "91  " and name "HB1 ")
 OR { 2593}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "91  " and name "HG  ")
 ASSI { 2738}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HD1 ")
      3.000     1.100     1.100 peak  2738 weight  0.10000E+01 volume  0.79800E+00 ppm1      7.409 ppm2      3.778
 OR { 2738}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 3307}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      4.000     2.000     2.000 peak  3307 weight  0.10000E+01 volume  0.10500E+00 ppm1      8.799 ppm2      8.156
 OR { 3307}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HN  ")
 ASSI { 3308}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HG  ")
      3.900     1.900     1.900 peak  3308 weight  0.10000E+01 volume  0.16400E+00 ppm1      8.801 ppm2      1.566
 OR { 3308}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 3308}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 3256}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
      3.300     1.400     1.400 peak  3256 weight  0.10000E+01 volume  0.45400E+00 ppm1      7.763 ppm2      2.832
 OR { 3256}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB2 ")
 ASSI { 3247}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HN  ")
      2.500     0.800     0.800 peak  3247 weight  0.10000E+01 volume  0.16570E+01 ppm1      7.765 ppm2      8.130
 OR { 3247}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 3450}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG2 ")
      3.300     1.400     1.400 peak  3450 weight  0.10000E+01 volume  0.49200E+00 ppm1      8.496 ppm2      1.257
 OR { 3450}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 3450}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 3450}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG1 ")
 ASSI { 3260}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HE2 ")
      5.100     3.300     0.900 peak  3260 weight  0.10000E+01 volume  0.82000E-01 ppm1      7.762 ppm2      6.689
 OR { 3260}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HE1 ")
 OR { 3260}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "69  " and name "HE2 ")
 OR { 3260}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "69  " and name "HE1 ")
 ASSI { 3448}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HD2 ")
      3.100     1.200     1.200 peak  3448 weight  0.10000E+01 volume  0.69800E+00 ppm1      8.496 ppm2      1.725
 OR { 3448}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB2 ")
 OR { 3448}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HD1 ")
 ASSI { 3374}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG23")
      3.600     1.600     1.600 peak  3374 weight  0.10000E+01 volume  0.37100E+00 ppm1      7.511 ppm2      0.678
 OR { 3374}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 3374}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 3374}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 3374}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 3370}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG11")
      3.300     1.400     1.400 peak  3370 weight  0.10000E+01 volume  0.48700E+00 ppm1      7.519 ppm2      1.614
 OR { 3370}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI { 3376}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "86  " and name "HN  ")
      3.500     1.500     1.500 peak  3376 weight  0.10000E+01 volume  0.23400E+00 ppm1      7.514 ppm2      8.606
 OR { 3376}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "82  " and name "HN  ")
 OR { 3376}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HN  ")
 ASSI { 3378}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB2 ")
      3.700     1.700     1.700 peak  3378 weight  0.10000E+01 volume  0.21100E+00 ppm1      7.520 ppm2      2.874
 OR { 3378}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
 OR { 3378}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB1 ")
 ASSI { 3632}
     (segid "    " and resid "66  " and name "HE21")
     (segid "    " and resid "68  " and name "HN  ")
      3.500     1.500     1.500 peak  3632 weight  0.10000E+01 volume  0.24500E+00 ppm1      7.408 ppm2      8.121
 OR { 3632}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "92  " and name "HN  ")
 ASSI { 2527}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      4.000     2.000     2.000 peak  2527 weight  0.10000E+01 volume  0.10400E+00 ppm1      7.599 ppm2      9.181
 OR { 2527}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "31  " and name "HN  ")
 ASSI { 2518}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "19  " and name "HN  ")
      3.800     1.800     1.800 peak  2518 weight  0.10000E+01 volume  0.14000E+00 ppm1      7.601 ppm2      9.818
 OR { 2518}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
 ASSI { 2500}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB3 ")
      2.900     1.100     1.100 peak  2500 weight  0.10000E+01 volume  0.12500E+01 ppm1      7.603 ppm2      1.248
 OR { 2500}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG12")
 OR { 2500}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 2500}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 2507}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB2 ")
      3.400     1.400     1.400 peak  2507 weight  0.10000E+01 volume  0.40400E+00 ppm1      7.601 ppm2      2.777
 OR { 2507}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2507}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 2504}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG23")
      3.200     1.300     1.300 peak  2504 weight  0.10000E+01 volume  0.79200E+00 ppm1      7.601 ppm2      0.699
 OR { 2504}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG22")
 OR { 2504}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 2504}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "84  " and name "HG23")
 OR { 2504}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "84  " and name "HG21")
 OR { 2504}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 2504}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 2504}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 2510}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
      3.500     1.500     1.500 peak  2510 weight  0.10000E+01 volume  0.32000E+00 ppm1      7.600 ppm2      2.944
 OR { 2510}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB1 ")
 ASSI { 3635}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG1 ")
      3.800     1.800     1.800 peak  3635 weight  0.10000E+01 volume  0.22400E+00 ppm1      7.412 ppm2      1.931
 OR { 3635}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "89  " and name "HB1 ")
 OR { 3635}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "89  " and name "HB2 ")
 ASSI { 2512}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG2 ")
      3.600     1.600     1.600 peak  2512 weight  0.10000E+01 volume  0.31400E+00 ppm1      7.601 ppm2      1.602
 OR { 2512}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG11")
 ASSI { 3145}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "80  " and name "HZ  ")
      4.000     2.000     2.000 peak  3145 weight  0.10000E+01 volume  0.33100E+00 ppm1      9.412 ppm2      7.123
 OR { 3145}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD1 ")
 ASSI { 3132}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA1 ")
      2.500     0.800     0.800 peak  3132 weight  0.10000E+01 volume  0.21000E+01 ppm1      9.415 ppm2      4.680
 OR { 3132}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA2 ")
 ASSI { 3142}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD13")
      3.600     1.600     1.600 peak  3142 weight  0.10000E+01 volume  0.35900E+00 ppm1      9.411 ppm2      0.509
 OR { 3142}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG13")
 OR { 3142}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD11")
 OR { 3142}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD12")
 ASSI { 3039}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      3.400     1.400     1.400 peak  3039 weight  0.10000E+01 volume  0.32500E+00 ppm1      9.140 ppm2      4.304
 OR { 3039}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 3039}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 3037}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
      2.800     1.000     1.000 peak  3037 weight  0.10000E+01 volume  0.11440E+01 ppm1      9.140 ppm2      1.444
 OR { 3037}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB  ")
 ASSI { 3044}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
      3.800     1.800     1.800 peak  3044 weight  0.10000E+01 volume  0.23000E+00 ppm1      9.141 ppm2      1.721
 OR { 3044}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 3044}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
 OR { 3044}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HD1 ")
 ASSI { 3041}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
      3.600     1.600     1.600 peak  3041 weight  0.10000E+01 volume  0.28600E+00 ppm1      9.135 ppm2      2.092
 OR { 3041}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
 ASSI { 3647}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "30  " and name "HN  ")
      3.600     1.600     1.600 peak  3647 weight  0.10000E+01 volume  0.18800E+00 ppm1      7.549 ppm2      8.263
 OR { 3647}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "20  " and name "HN  ")
 ASSI { 3645}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG23")
      3.600     1.600     1.600 peak  3645 weight  0.10000E+01 volume  0.39300E+00 ppm1      7.548 ppm2      0.786
 OR { 3645}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "84  " and name "HG23")
 OR { 3645}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "84  " and name "HG21")
 OR { 3645}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 3645}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 3621}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "29  " and name "HE22")
      1.600     0.300     0.600 peak  3621 weight  0.10000E+01 volume  0.21240E+02 ppm1      7.546 ppm2      6.879
 OR { 3621}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "16  " and name "HE22")
 ASSI { 3649}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "29  " and name "HG1 ")
      3.900     1.900     1.900 peak  3649 weight  0.10000E+01 volume  0.18100E+00 ppm1      7.548 ppm2      1.885
 OR { 3649}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 3649}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 3640}
     (segid "    " and resid "66  " and name "HE21")
     (segid "    " and resid "66  " and name "HB2 ")
      3.600     1.600     1.600 peak  3640 weight  0.10000E+01 volume  0.30300E+00 ppm1      7.408 ppm2      1.866
 OR { 3640}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 3640}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "89  " and name "HB1 ")
 ASSI { 3643}
     (segid "    " and resid "66  " and name "HE21")
     (segid "    " and resid "46  " and name "HG21")
      4.200     2.200     1.800 peak  3643 weight  0.10000E+01 volume  0.14700E+00 ppm1      7.406 ppm2      1.008
 OR { 3643}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "90  " and name "HG21")
 OR { 3643}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "90  " and name "HG22")
 OR { 3643}
     (segid "    " and resid "66  " and name "HE21")
     (segid "    " and resid "46  " and name "HG22")
 OR { 3643}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "90  " and name "HG23")
 OR { 3643}
     (segid "    " and resid "66  " and name "HE21")
     (segid "    " and resid "46  " and name "HG23")
 ASSI { 2459}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "106 " and name "HA  ")
      3.500     1.500     1.500 peak  2459 weight  0.10000E+01 volume  0.24200E+00 ppm1      8.707 ppm2      4.496
 OR { 2459}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "35  " and name "HA  ")
 ASSI { 2967}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB2 ")
      3.900     1.900     1.900 peak  2967 weight  0.10000E+01 volume  0.17000E+00 ppm1      8.577 ppm2      2.505
 OR { 2967}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB  ")
 ASSI { 2350}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "107 " and name "HB2 ")
      2.900     1.100     1.100 peak  2350 weight  0.10000E+01 volume  0.92200E+00 ppm1      8.708 ppm2      3.311
 OR { 2350}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "36  " and name "HB2 ")
 ASSI { 2969}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG22")
      4.300     2.300     1.700 peak  2969 weight  0.10000E+01 volume  0.12400E+00 ppm1      8.578 ppm2      1.116
 OR { 2969}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG23")
 OR { 2969}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG21")
 OR { 2969}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "52  " and name "HD1 ")
 ASSI { 2950}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA2 ")
      3.800     1.800     1.800 peak  2950 weight  0.10000E+01 volume  0.16100E+00 ppm1      8.577 ppm2      4.792
 OR { 2950}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
 ASSI { 2964}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA2 ")
      3.300     1.400     1.400 peak  2964 weight  0.10000E+01 volume  0.34800E+00 ppm1      8.577 ppm2      4.704
 OR { 2964}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA1 ")
 ASSI { 2962}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD1 ")
      4.200     2.200     1.800 peak  2962 weight  0.10000E+01 volume  0.24400E+00 ppm1      8.577 ppm2      7.129
 OR { 2962}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "80  " and name "HZ  ")
 OR { 2962}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD2 ")
 ASSI { 3683}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "7   " and name "HG  ")
      4.500     2.500     1.500 peak  3683 weight  0.10000E+01 volume  0.11000E+00 ppm1      6.895 ppm2      0.897
 OR { 3683}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "7   " and name "HB2 ")
 OR { 3683}
     (segid "    " and resid "16  " and name "HE22")
     (segid "    " and resid "98  " and name "HG22")
 OR { 3683}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "46  " and name "HG21")
 OR { 3683}
     (segid "    " and resid "16  " and name "HE22")
     (segid "    " and resid "98  " and name "HG21")
 OR { 3683}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "46  " and name "HG22")
 OR { 3683}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "46  " and name "HG23")
 ASSI { 3675}
     (segid "    " and resid "45  " and name "HE22")
     (segid "    " and resid "45  " and name "HG2 ")
      3.300     1.400     1.400 peak  3675 weight  0.10000E+01 volume  0.49700E+00 ppm1      6.895 ppm2      2.455
 OR { 3675}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 3675}
     (segid "    " and resid "45  " and name "HE22")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 3675}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "66  " and name "HG1 ")
 OR { 3675}
     (segid "    " and resid "16  " and name "HE22")
     (segid "    " and resid "16  " and name "HG1 ")
 OR { 3675}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "66  " and name "HG2 ")
 ASSI { 3661}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "7   " and name "HG  ")
      4.300     2.300     1.700 peak  3661 weight  0.10000E+01 volume  0.14200E+00 ppm1      7.546 ppm2      0.897
 OR { 3661}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "98  " and name "HG22")
 OR { 3661}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "7   " and name "HB2 ")
 OR { 3661}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "98  " and name "HG21")
 OR { 3661}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "98  " and name "HG23")
 ASSI { 3680}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "84  " and name "HG23")
      3.700     1.700     1.700 peak  3680 weight  0.10000E+01 volume  0.31000E+00 ppm1      6.900 ppm2      0.704
 OR { 3680}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "84  " and name "HG21")
 OR { 3680}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "46  " and name "HG13")
 OR { 3680}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "84  " and name "HG22")
 OR { 3680}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "46  " and name "HG12")
 ASSI { 3637}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "29  " and name "HG1 ")
      3.100     1.200     1.200 peak  3637 weight  0.10000E+01 volume  0.66400E+00 ppm1      7.546 ppm2      2.458
 OR { 3637}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "16  " and name "HG1 ")
 OR { 3637}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "16  " and name "HG2 ")
 ASSI { 3639}
     (segid "    " and resid "45  " and name "HE21")
     (segid "    " and resid "45  " and name "HG2 ")
      2.800     1.000     1.000 peak  3639 weight  0.10000E+01 volume  0.11760E+01 ppm1      7.662 ppm2      2.432
 OR { 3639}
     (segid "    " and resid "45  " and name "HE21")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 3639}
     (segid "    " and resid "108 " and name "HE21")
     (segid "    " and resid "108 " and name "HG1 ")
 OR { 3639}
     (segid "    " and resid "108 " and name "HE21")
     (segid "    " and resid "108 " and name "HG2 ")
 ASSI { 3690}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "66  " and name "HB1 ")
      4.000     2.000     2.000 peak  3690 weight  0.10000E+01 volume  0.15400E+00 ppm1      6.924 ppm2      2.249
 OR { 3690}
     (segid "    " and resid "16  " and name "HE22")
     (segid "    " and resid "16  " and name "HB1 ")
 ASSI { 3663}
     (segid "    " and resid "108 " and name "HE21")
     (segid "    " and resid "108 " and name "HB1 ")
      3.800     1.800     1.800 peak  3663 weight  0.10000E+01 volume  0.18700E+00 ppm1      7.747 ppm2      2.130
 OR { 3663}
     (segid "    " and resid "45  " and name "HE21")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 3687}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG1 ")
      3.900     1.900     1.900 peak  3687 weight  0.10000E+01 volume  0.21100E+00 ppm1      6.921 ppm2      1.956
 OR { 3687}
     (segid "    " and resid "45  " and name "HE22")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 3659}
     (segid "    " and resid "108 " and name "HE21")
     (segid "    " and resid "108 " and name "HB2 ")
      3.800     1.800     1.800 peak  3659 weight  0.10000E+01 volume  0.20000E+00 ppm1      7.751 ppm2      1.957
 OR { 3659}
     (segid "    " and resid "45  " and name "HE21")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 3682}
     (segid "    " and resid "45  " and name "HE22")
     (segid "    " and resid "45  " and name "HG2 ")
      3.000     1.100     1.100 peak  3682 weight  0.10000E+01 volume  0.79800E+00 ppm1      6.918 ppm2      2.410
 OR { 3682}
     (segid "    " and resid "45  " and name "HE22")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 3682}
     (segid "    " and resid "16  " and name "HE22")
     (segid "    " and resid "16  " and name "HG1 ")
 OR { 3682}
     (segid "    " and resid "16  " and name "HE22")
     (segid "    " and resid "16  " and name "HG2 ")
 ASSI { 3164}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG12")
      4.600     2.600     1.400 peak  3164 weight  0.10000E+01 volume  0.93000E-01 ppm1      9.064 ppm2      0.673
 OR { 3164}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 3164}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 3164}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 3164}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 3164}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 3164}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 3164}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 3164}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG13")
 ASSI { 3554}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "11  " and name "HE2 ")
      3.700     1.700     1.700 peak  3554 weight  0.10000E+01 volume  0.23300E+00 ppm1      7.864 ppm2      2.873
 OR { 3554}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "9   " and name "HB1 ")
 OR { 3554}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 3157}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
      3.500     1.500     1.500 peak  3157 weight  0.10000E+01 volume  0.23800E+00 ppm1      9.077 ppm2      9.410
 OR { 3157}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HN  ")
 ASSI { 3165}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
      4.000     2.000     2.000 peak  3165 weight  0.10000E+01 volume  0.20100E+00 ppm1      9.080 ppm2      0.995
 OR { 3165}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 3165}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 3165}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 3165}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB2 ")
 OR { 3165}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG11")
 ASSI { 3160}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
      3.600     1.600     1.600 peak  3160 weight  0.10000E+01 volume  0.26900E+00 ppm1      9.072 ppm2      2.481
 OR { 3160}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG1 ")
 ASSI { 3158}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "89  " and name "HA  ")
      3.300     1.400     1.400 peak  3158 weight  0.10000E+01 volume  0.38900E+00 ppm1      9.069 ppm2      4.581
 OR { 3158}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 3158}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA  ")
 ASSI { 2671}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG2 ")
      2.700     0.900     0.900 peak  2671 weight  0.10000E+01 volume  0.15400E+01 ppm1      7.414 ppm2      1.603
 OR { 2671}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 2679}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD11")
      3.500     1.500     1.500 peak  2679 weight  0.10000E+01 volume  0.45300E+00 ppm1      7.417 ppm2      0.676
 OR { 2679}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 2679}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 2679}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD13")
 ASSI { 2683}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      3.700     1.700     1.700 peak  2683 weight  0.10000E+01 volume  0.19700E+00 ppm1      7.420 ppm2      5.335
 OR { 2683}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 2678}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "7   " and name "HD12")
      4.000     2.000     2.000 peak  2678 weight  0.10000E+01 volume  0.23900E+00 ppm1      7.413 ppm2      0.488
 OR { 2678}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 2678}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 2678}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG11")
 OR { 2678}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 2672}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
      3.100     1.200     1.200 peak  2672 weight  0.10000E+01 volume  0.61200E+00 ppm1      7.415 ppm2      4.282
 OR { 2672}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HA  ")
 ASSI { 2667}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      2.500     0.800     0.800 peak  2667 weight  0.10000E+01 volume  0.20620E+01 ppm1      7.416 ppm2      4.549
 OR { 2667}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 2673}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      3.100     1.200     1.200 peak  2673 weight  0.10000E+01 volume  0.78800E+00 ppm1      7.415 ppm2      1.866
 OR { 2673}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2673}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 2673}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 2677}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
      3.300     1.400     1.400 peak  2677 weight  0.10000E+01 volume  0.35600E+00 ppm1      7.417 ppm2      8.809
 OR { 2677}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 2669}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
      2.800     1.000     1.000 peak  2669 weight  0.10000E+01 volume  0.18000E+01 ppm1      7.415 ppm2      1.397
 OR { 2669}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HB2 ")
 OR { 2669}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 2670}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD13")
      3.000     1.100     1.100 peak  2670 weight  0.10000E+01 volume  0.11780E+01 ppm1      7.413 ppm2      0.795
 OR { 2670}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG21")
 OR { 2670}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD11")
 OR { 2670}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 2670}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 2670}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 2670}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD12")
 OR { 2670}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 2614}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      3.200     1.300     1.300 peak  2614 weight  0.10000E+01 volume  0.61200E+00 ppm1      7.416 ppm2      2.132
 OR { 2614}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2614}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB  ")
 ASSI { 3339}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB2 ")
      3.100     1.200     1.200 peak  3339 weight  0.10000E+01 volume  0.84600E+00 ppm1      7.668 ppm2      1.837
 OR { 3339}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 3344}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG22")
      3.500     1.500     1.500 peak  3344 weight  0.10000E+01 volume  0.41000E+00 ppm1      7.671 ppm2      0.797
 OR { 3344}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 3344}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 3344}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 3344}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG23")
 ASSI { 2531}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HA  ")
      3.100     1.200     1.200 peak  2531 weight  0.10000E+01 volume  0.57600E+00 ppm1      7.836 ppm2      4.725
 OR { 2531}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
 ASSI { 3356}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB2 ")
      3.200     1.300     1.300 peak  3356 weight  0.10000E+01 volume  0.73500E+00 ppm1      7.260 ppm2      1.840
 OR { 3356}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 3353}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB  ")
      2.800     1.000     1.000 peak  3353 weight  0.10000E+01 volume  0.12620E+01 ppm1      7.261 ppm2      2.125
 OR { 3353}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB1 ")
 ASSI { 3360}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "79  " and name "HD1 ")
      4.200     2.200     1.800 peak  3360 weight  0.10000E+01 volume  0.24000E+00 ppm1      7.257 ppm2      6.921
 OR { 3360}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "80  " and name "HD1 ")
 OR { 3360}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 3350}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG11")
      2.700     0.900     0.900 peak  3350 weight  0.10000E+01 volume  0.17360E+01 ppm1      7.264 ppm2      1.624
 OR { 3350}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 2754}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB1 ")
      3.600     1.600     1.600 peak  2754 weight  0.10000E+01 volume  0.31100E+00 ppm1      8.727 ppm2      2.118
 OR { 2754}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "1   " and name "HB2 ")
 OR { 2754}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "1   " and name "HB1 ")
 ASSI { 2756}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
      3.700     1.700     1.700 peak  2756 weight  0.10000E+01 volume  0.17800E+00 ppm1      8.723 ppm2      7.391
 OR { 2756}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HN  ")
 ASSI { 3022}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG2 ")
      2.800     1.000     1.000 peak  3022 weight  0.10000E+01 volume  0.11610E+01 ppm1      7.420 ppm2      1.311
 OR { 3022}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 3022}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 3018}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG2 ")
      2.700     0.900     0.900 peak  3018 weight  0.10000E+01 volume  0.15840E+01 ppm1      7.419 ppm2      1.438
 OR { 3018}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 3018}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 3027}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD22")
      3.900     1.900     1.900 peak  3027 weight  0.10000E+01 volume  0.24700E+00 ppm1      7.418 ppm2      0.777
 OR { 3027}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 3027}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 3027}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD13")
 OR { 3027}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 3027}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 3027}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD11")
 ASSI { 3031}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "10  " and name "HN  ")
      3.600     1.600     1.600 peak  3031 weight  0.10000E+01 volume  0.20500E+00 ppm1      7.430 ppm2      7.816
 OR { 3031}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 2786}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "79  " and name "HD1 ")
      4.000     2.000     2.000 peak  2786 weight  0.10000E+01 volume  0.24600E+00 ppm1      8.443 ppm2      6.907
 OR { 2786}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HE1 ")
 OR { 2786}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HE  ")
 OR { 2786}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HE2 ")
 ASSI { 2774}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD1 ")
      2.900     1.100     1.100 peak  2774 weight  0.10000E+01 volume  0.17020E+01 ppm1      8.440 ppm2      7.355
 OR { 2774}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 2774}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 2785}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
      3.500     1.500     1.500 peak  2785 weight  0.10000E+01 volume  0.21500E+00 ppm1      8.437 ppm2      9.138
 OR { 2785}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
 ASSI { 3080}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD22")
      4.400     2.400     1.600 peak  3080 weight  0.10000E+01 volume  0.12200E+00 ppm1      7.324 ppm2      0.758
 OR { 3080}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 3080}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD21")
 OR { 3080}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 3080}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD13")
 OR { 3080}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 3080}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD22")
 OR { 3080}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD23")
 ASSI { 3072}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA1 ")
      4.000     2.000     2.000 peak  3072 weight  0.10000E+01 volume  0.11100E+00 ppm1      7.326 ppm2      3.995
 OR { 3072}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
 OR { 3072}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA1 ")
 ASSI { 3069}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA1 ")
      3.100     1.200     1.200 peak  3069 weight  0.10000E+01 volume  0.54500E+00 ppm1      7.329 ppm2      4.723
 OR { 3069}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
 ASSI { 3058}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG1 ")
      2.500     0.800     0.800 peak  3058 weight  0.10000E+01 volume  0.26620E+01 ppm1      7.327 ppm2      1.743
 OR { 3058}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
 OR { 3058}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB3 ")
 ASSI { 3070}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "55  " and name "HN  ")
      3.300     1.400     1.400 peak  3070 weight  0.10000E+01 volume  0.33600E+00 ppm1      7.327 ppm2      9.146
 OR { 3070}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
 ASSI { 3063}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB2 ")
      2.500     0.800     0.800 peak  3063 weight  0.10000E+01 volume  0.23620E+01 ppm1      7.328 ppm2      1.929
 OR { 3063}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 3055}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA  ")
      2.400     0.700     0.700 peak  3055 weight  0.10000E+01 volume  0.23320E+01 ppm1      7.327 ppm2      4.300
 OR { 3055}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
 ASSI { 3104}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "7   " and name "HB1 ")
      3.700     1.700     1.700 peak  3104 weight  0.10000E+01 volume  0.25100E+00 ppm1      8.661 ppm2      1.083
 OR { 3104}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB2 ")
 ASSI { 3111}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG2 ")
      4.400     2.400     1.600 peak  3111 weight  0.10000E+01 volume  0.86000E-01 ppm1      8.667 ppm2      1.434
 OR { 3111}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB1 ")
 ASSI { 3103}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG1 ")
      3.800     1.800     1.800 peak  3103 weight  0.10000E+01 volume  0.22400E+00 ppm1      8.666 ppm2      1.751
 OR { 3103}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "53  " and name "HG  ")
 OR { 3103}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB2 ")
 ASSI { 3101}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      3.500     1.500     1.500 peak  3101 weight  0.10000E+01 volume  0.29400E+00 ppm1      8.664 ppm2      7.346
 OR { 3101}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HE2 ")
 ASSI { 3100}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB1 ")
      3.800     1.800     1.800 peak  3100 weight  0.10000E+01 volume  0.19700E+00 ppm1      8.664 ppm2      3.212
 OR { 3100}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD2 ")
 OR { 3100}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD1 ")
 ASSI { 3102}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HG  ")
      3.700     1.700     1.700 peak  3102 weight  0.10000E+01 volume  0.25800E+00 ppm1      8.659 ppm2      1.280
 OR { 3102}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 3099}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
      3.100     1.200     1.200 peak  3099 weight  0.10000E+01 volume  0.78700E+00 ppm1      8.665 ppm2      0.806
 OR { 3099}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 3099}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD23")
 ASSI { 2585}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      3.700     1.700     1.700 peak  2585 weight  0.10000E+01 volume  0.15800E+00 ppm1      8.558 ppm2      9.440
 OR { 2585}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
 ASSI { 2584}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "37  " and name "HD2 ")
      3.900     1.900     1.900 peak  2584 weight  0.10000E+01 volume  0.16500E+00 ppm1      8.562 ppm2      2.522
 OR { 2584}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB  ")
 OR { 2584}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG1 ")
 ASSI { 2573}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      2.300     0.700     0.700 peak  2573 weight  0.10000E+01 volume  0.28400E+01 ppm1      8.561 ppm2      4.916
 OR { 2573}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 2575}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "89  " and name "HN  ")
      2.800     1.000     1.000 peak  2575 weight  0.10000E+01 volume  0.84900E+00 ppm1      8.563 ppm2      7.653
 OR { 2575}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 2576}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
      2.800     1.000     1.000 peak  2576 weight  0.10000E+01 volume  0.11450E+01 ppm1      8.561 ppm2      1.934
 OR { 2576}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "79  " and name "HB2 ")
 ASSI { 2582}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
      3.100     1.200     1.200 peak  2582 weight  0.10000E+01 volume  0.66000E+00 ppm1      8.564 ppm2      2.189
 OR { 2582}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
 OR { 2582}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG2 ")
 ASSI { 2579}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HN  ")
      3.000     1.100     1.100 peak  2579 weight  0.10000E+01 volume  0.63600E+00 ppm1      8.566 ppm2      9.051
 OR { 2579}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
 ASSI { 2244}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
      4.300     2.300     1.700 peak  2244 weight  0.10000E+01 volume  0.13100E+00 ppm1      8.555 ppm2      1.030
 OR { 2244}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
 OR { 2244}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG21")
 OR { 2244}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG23")
 OR { 2244}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG22")
 ASSI { 2457}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HE2 ")
      4.500     2.500     1.500 peak  2457 weight  0.10000E+01 volume  0.76000E-01 ppm1      9.368 ppm2      3.115
 OR { 2457}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HD2 ")
 OR { 2457}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 2454}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA  ")
      3.700     1.700     1.700 peak  2454 weight  0.10000E+01 volume  0.18300E+00 ppm1      9.375 ppm2      4.405
 OR { 2454}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "98  " and name "HA  ")
 OR { 2454}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "100 " and name "HA  ")
 ASSI { 2444}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB1 ")
      2.600     0.800     0.800 peak  2444 weight  0.10000E+01 volume  0.20250E+01 ppm1      9.368 ppm2      1.563
 OR { 2444}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HB2 ")
 OR { 2444}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 3411}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB2 ")
      3.000     1.100     1.100 peak  3411 weight  0.10000E+01 volume  0.75600E+00 ppm1      7.657 ppm2      2.122
 OR { 3411}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HG2 ")
 OR { 3411}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG2 ")
 ASSI { 2449}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HN  ")
      3.200     1.300     1.300 peak  2449 weight  0.10000E+01 volume  0.36300E+00 ppm1      9.368 ppm2      7.841
 OR { 2449}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "100 " and name "HN  ")
 ASSI { 3407}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "102 " and name "HN  ")
      2.700     0.900     0.900 peak  3407 weight  0.10000E+01 volume  0.10250E+01 ppm1      7.658 ppm2      8.561
 OR { 3407}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
 ASSI { 3409}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "104 " and name "HA  ")
      2.800     1.000     1.000 peak  3409 weight  0.10000E+01 volume  0.94900E+00 ppm1      7.659 ppm2      4.221
 OR { 3409}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA  ")
 ASSI { 3416}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG13")
      4.200     2.200     1.800 peak  3416 weight  0.10000E+01 volume  0.16100E+00 ppm1      7.657 ppm2      0.801
 OR { 3416}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 3416}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD11")
 OR { 3416}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG12")
 OR { 3416}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG11")
 ASSI { 2458}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HE  ")
      4.000     2.000     2.000 peak  2458 weight  0.10000E+01 volume  0.12600E+00 ppm1      9.365 ppm2      8.310
 OR { 2458}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "53  " and name "HN  ")
 OR { 2458}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "97  " and name "HN  ")
 ASSI { 3415}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      3.800     1.800     1.800 peak  3415 weight  0.10000E+01 volume  0.26500E+00 ppm1      7.659 ppm2      1.189
 OR { 3415}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3415}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
 OR { 3415}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "102 " and name "HD1 ")
 OR { 3415}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "102 " and name "HD2 ")
 ASSI { 3410}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HG1 ")
      3.000     1.100     1.100 peak  3410 weight  0.10000E+01 volume  0.88500E+00 ppm1      7.658 ppm2      2.205
 OR { 3410}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HG2 ")
 OR { 3410}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG2 ")
 ASSI { 3418}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "102 " and name "HA  ")
      3.700     1.700     1.700 peak  3418 weight  0.10000E+01 volume  0.18200E+00 ppm1      7.657 ppm2      4.023
 OR { 3418}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
 ASSI { 2814}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
      3.900     1.900     1.900 peak  2814 weight  0.10000E+01 volume  0.14100E+00 ppm1      7.821 ppm2      4.464
 OR { 2814}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 2789}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG11")
      3.900     1.900     1.900 peak  2789 weight  0.10000E+01 volume  0.24900E+00 ppm1      7.816 ppm2      1.013
 OR { 2789}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 2789}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
 OR { 2789}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 2789}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG12")
 ASSI { 2811}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      3.300     1.400     1.400 peak  2811 weight  0.10000E+01 volume  0.35400E+00 ppm1      7.816 ppm2      9.130
 OR { 2811}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
 ASSI { 3555}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB2 ")
      2.800     1.000     1.000 peak  3555 weight  0.10000E+01 volume  0.12480E+01 ppm1      8.490 ppm2      2.627
 OR { 3555}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "79  " and name "HB1 ")
 ASSI { 3583}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB1 ")
      3.300     1.400     1.400 peak  3583 weight  0.10000E+01 volume  0.47300E+00 ppm1      7.654 ppm2      3.079
 OR { 3583}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "103 " and name "HB1 ")
 OR { 3583}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB1 ")
 OR { 3583}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB2 ")
 ASSI { 3584}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD2 ")
      4.300     2.300     1.700 peak  3584 weight  0.10000E+01 volume  0.22300E+00 ppm1      7.656 ppm2      7.076
 OR { 3584}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "103 " and name "HD1 ")
 OR { 3584}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "105 " and name "HD1 ")
 ASSI { 3580}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "104 " and name "HA  ")
      2.700     0.900     0.900 peak  3580 weight  0.10000E+01 volume  0.12650E+01 ppm1      7.657 ppm2      4.304
 OR { 3580}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "103 " and name "HA  ")
 ASSI { 3578}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "105 " and name "HN  ")
      2.400     0.700     0.700 peak  3578 weight  0.10000E+01 volume  0.21100E+01 ppm1      7.657 ppm2      7.463
 OR { 3578}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "103 " and name "HN  ")
 ASSI { 3590}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB1 ")
      4.100     2.100     1.900 peak  3590 weight  0.10000E+01 volume  0.12900E+00 ppm1      7.654 ppm2      2.936
 OR { 3590}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB2 ")
 OR { 3590}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "105 " and name "HB1 ")
 ASSI { 2523}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HE21")
      3.800     1.800     1.800 peak  2523 weight  0.10000E+01 volume  0.14200E+00 ppm1      8.998 ppm2      7.599
 OR { 2523}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 2484}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
      3.100     1.200     1.200 peak  2484 weight  0.10000E+01 volume  0.67100E+00 ppm1      9.173 ppm2      1.601
 OR { 2484}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
 ASSI { 2488}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "95  " and name "HN  ")
      3.800     1.800     1.800 peak  2488 weight  0.10000E+01 volume  0.14000E+00 ppm1      9.173 ppm2      7.591
 OR { 2488}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 2480}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HA  ")
      2.700     0.900     0.900 peak  2480 weight  0.10000E+01 volume  0.11160E+01 ppm1      9.175 ppm2      5.074
 OR { 2480}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "97  " and name "HA  ")
 ASSI { 2479}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD21")
      2.900     1.100     1.100 peak  2479 weight  0.10000E+01 volume  0.14020E+01 ppm1      9.173 ppm2      0.718
 OR { 2479}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD22")
 OR { 2479}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 2479}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD23")
 OR { 2479}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG12")
 ASSI { 2486}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
      3.300     1.400     1.400 peak  2486 weight  0.10000E+01 volume  0.47400E+00 ppm1      9.174 ppm2      4.090
 OR { 2486}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HA  ")
 ASSI { 3566}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB1 ")
      2.700     0.900     0.900 peak  3566 weight  0.10000E+01 volume  0.14010E+01 ppm1      7.446 ppm2      3.087
 OR { 3566}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HB1 ")
 ASSI { 2634}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      3.800     1.800     1.800 peak  2634 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.404 ppm2      4.498
 OR { 2634}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 2631}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      3.500     1.500     1.500 peak  2631 weight  0.10000E+01 volume  0.23600E+00 ppm1      8.401 ppm2      9.417
 OR { 2631}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "87  " and name "HN  ")
 ASSI { 2628}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG12")
      3.700     1.700     1.700 peak  2628 weight  0.10000E+01 volume  0.34200E+00 ppm1      8.406 ppm2      0.489
 OR { 2628}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG13")
 OR { 2628}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG21")
 OR { 2628}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG11")
 ASSI { 2627}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HN  ")
      3.000     1.100     1.100 peak  2627 weight  0.10000E+01 volume  0.60000E+00 ppm1      8.404 ppm2      9.043
 OR { 2627}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "88  " and name "HN  ")
 OR { 2627}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
 ASSI { 2633}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG21")
      4.200     2.200     1.800 peak  2633 weight  0.10000E+01 volume  0.15200E+00 ppm1      8.403 ppm2      1.029
 OR { 2633}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG23")
 OR { 2633}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG22")
 OR { 2633}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG23")
 OR { 2633}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 2633}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG21")
 ASSI { 2636}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG2 ")
      4.100     2.100     1.900 peak  2636 weight  0.10000E+01 volume  0.12100E+00 ppm1      8.403 ppm2      2.129
 OR { 2636}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
 OR { 2636}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB2 ")
 OR { 2636}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB1 ")
 ASSI { 2414}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "37  " and name "HE  ")
      4.700     2.800     1.300 peak  2414 weight  0.10000E+01 volume  0.11500E+00 ppm1      8.281 ppm2      6.752
 OR { 2414}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "105 " and name "HZ  ")
 ASSI { 2402}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG1 ")
      2.500     0.800     0.800 peak  2402 weight  0.10000E+01 volume  0.24720E+01 ppm1      8.276 ppm2      1.603
 OR { 2402}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HB2 ")
 ASSI { 2409}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG2 ")
      3.800     1.800     1.800 peak  2409 weight  0.10000E+01 volume  0.19700E+00 ppm1      8.276 ppm2      1.856
 OR { 2409}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB2 ")
 ASSI { 2430}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
      2.500     0.800     0.800 peak  2430 weight  0.10000E+01 volume  0.26480E+01 ppm1      7.820 ppm2      1.706
 OR { 2430}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HB2 ")
 OR { 2430}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HG1 ")
 ASSI { 2436}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG22")
      3.300     1.400     1.400 peak  2436 weight  0.10000E+01 volume  0.61500E+00 ppm1      7.820 ppm2      0.933
 OR { 2436}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 2436}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 2436}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 2436}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 2436}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD21")
 ASSI { 2434}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HA  ")
      3.000     1.100     1.100 peak  2434 weight  0.10000E+01 volume  0.68600E+00 ppm1      7.816 ppm2      4.284
 OR { 2434}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA  ")
 ASSI { 2441}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
      3.400     1.400     1.400 peak  2441 weight  0.10000E+01 volume  0.40400E+00 ppm1      7.818 ppm2      1.429
 OR { 2441}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 2441}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB1 ")
 ASSI { 2262}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "77  " and name "HA  ")
      3.500     1.500     1.500 peak  2262 weight  0.10000E+01 volume  0.27200E+00 ppm1      7.818 ppm2      4.607
 OR { 2262}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 3284}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HB2 ")
      2.800     1.000     1.000 peak  3284 weight  0.10000E+01 volume  0.13370E+01 ppm1      7.891 ppm2      1.547
 OR { 3284}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HG2 ")
 ASSI { 3290}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA1 ")
      4.000     2.000     2.000 peak  3290 weight  0.10000E+01 volume  0.12700E+00 ppm1      7.893 ppm2      3.810
 OR { 3290}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA2 ")
 OR { 3290}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 3290}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA2 ")
 ASSI { 3198}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA1 ")
      2.400     0.700     0.700 peak  3198 weight  0.10000E+01 volume  0.24710E+01 ppm1      8.111 ppm2      3.898
 OR { 3198}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA1 ")
 ASSI { 3203}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA2 ")
      2.500     0.800     0.800 peak  3203 weight  0.10000E+01 volume  0.20910E+01 ppm1      8.111 ppm2      3.790
 OR { 3203}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA2 ")
 ASSI { 3212}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
      4.200     2.200     1.800 peak  3212 weight  0.10000E+01 volume  0.16000E+00 ppm1      8.114 ppm2      1.037
 OR { 3212}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 3212}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG23")
 OR { 3212}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG22")
 OR { 3212}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 3212}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG22")
 OR { 3212}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 3212}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG11")
 OR { 3212}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 ASSI { 3209}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "68  " and name "HA  ")
      2.600     0.800     0.800 peak  3209 weight  0.10000E+01 volume  0.15750E+01 ppm1      8.107 ppm2      4.620
 OR { 3209}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI { 3211}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA1 ")
      3.300     1.400     1.400 peak  3211 weight  0.10000E+01 volume  0.38700E+00 ppm1      8.113 ppm2      4.434
 OR { 3211}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 3200}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB2 ")
      2.300     0.700     0.700 peak  3200 weight  0.10000E+01 volume  0.38670E+01 ppm1      8.112 ppm2      2.631
 OR { 3200}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 3200}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 3216}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB2 ")
      4.000     2.000     2.000 peak  3216 weight  0.10000E+01 volume  0.15500E+00 ppm1      8.120 ppm2      1.572
 OR { 3216}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 3216}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 3216}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "73  " and name "HG  ")
 ASSI { 3202}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA1 ")
      2.400     0.700     0.700 peak  3202 weight  0.10000E+01 volume  0.27660E+01 ppm1      8.121 ppm2      3.889
 OR { 3202}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA1 ")
 OR { 3202}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA2 ")
 ASSI { 3213}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB3 ")
      4.200     2.200     1.800 peak  3213 weight  0.10000E+01 volume  0.14300E+00 ppm1      8.129 ppm2      1.277
 OR { 3213}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 3213}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 3213}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 3213}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 3226}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HE1 ")
      4.600     2.600     1.400 peak  3226 weight  0.10000E+01 volume  0.13700E+00 ppm1      7.927 ppm2      6.700
 OR { 3226}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HE2 ")
 OR { 3226}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "70  " and name "HE2 ")
 ASSI { 3224}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA1 ")
      3.700     1.700     1.700 peak  3224 weight  0.10000E+01 volume  0.20500E+00 ppm1      7.923 ppm2      3.840
 OR { 3224}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 3224}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 3224}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA2 ")
 ASSI { 2977}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG12")
      3.000     1.100     1.100 peak  2977 weight  0.10000E+01 volume  0.11010E+01 ppm1      8.599 ppm2      0.493
 OR { 2977}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 OR { 2977}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
 OR { 2977}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 2976}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB2 ")
      2.700     0.900     0.900 peak  2976 weight  0.10000E+01 volume  0.14570E+01 ppm1      8.599 ppm2      1.621
 OR { 2976}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 2970}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB  ")
      2.400     0.700     0.700 peak  2970 weight  0.10000E+01 volume  0.35760E+01 ppm1      8.598 ppm2      1.814
 OR { 2970}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB1 ")
 ASSI { 2974}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG21")
      2.700     0.900     0.900 peak  2974 weight  0.10000E+01 volume  0.19780E+01 ppm1      8.598 ppm2      0.825
 OR { 2974}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 2974}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 2974}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 2974}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 2974}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD22")
 ASSI { 2990}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
      3.400     1.400     1.400 peak  2990 weight  0.10000E+01 volume  0.26300E+00 ppm1      8.599 ppm2      9.754
 OR { 2990}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "61  " and name "HE1 ")
 ASSI { 2996}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HN  ")
      3.900     1.900     1.900 peak  2996 weight  0.10000E+01 volume  0.13900E+00 ppm1      8.594 ppm2      7.514
 OR { 2996}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD1 ")
 ASSI { 2991}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "87  " and name "HN  ")
      3.500     1.500     1.500 peak  2991 weight  0.10000E+01 volume  0.23900E+00 ppm1      8.600 ppm2      9.367
 OR { 2991}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
 ASSI { 2902}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "43  " and name "HN  ")
      3.800     1.800     1.800 peak  2902 weight  0.10000E+01 volume  0.14300E+00 ppm1      8.085 ppm2      8.996
 OR { 2902}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
 ASSI { 2900}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG21")
      4.200     2.200     1.800 peak  2900 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.080 ppm2      0.484
 OR { 2900}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG23")
 OR { 2900}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG22")
 OR { 2900}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
 OR { 2900}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 2899}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
      4.000     2.000     2.000 peak  2899 weight  0.10000E+01 volume  0.21100E+00 ppm1      8.087 ppm2      1.029
 OR { 2899}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 2899}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2899}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG22")
 OR { 2899}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 2899}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG22")
 OR { 2899}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 2899}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG11")
 OR { 2899}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 ASSI { 2898}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG22")
      3.800     1.800     1.800 peak  2898 weight  0.10000E+01 volume  0.29000E+00 ppm1      8.086 ppm2      0.850
 OR { 2898}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 2898}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG23")
 OR { 2898}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD11")
 ASSI { 2894}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA2 ")
      3.100     1.200     1.200 peak  2894 weight  0.10000E+01 volume  0.56300E+00 ppm1      8.080 ppm2      3.488
 OR { 2894}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 2893}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      2.900     1.100     1.100 peak  2893 weight  0.10000E+01 volume  0.85800E+00 ppm1      8.084 ppm2      4.392
 OR { 2893}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA1 ")
 OR { 2893}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 2426}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA1 ")
      2.900     1.100     1.100 peak  2426 weight  0.10000E+01 volume  0.85900E+00 ppm1      9.273 ppm2      4.725
 OR { 2426}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HA  ")
 ASSI { 2427}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "10  " and name "HG2 ")
      3.700     1.700     1.700 peak  2427 weight  0.10000E+01 volume  0.23300E+00 ppm1      9.276 ppm2      1.576
 OR { 2427}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "10  " and name "HB2 ")
 OR { 2427}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB1 ")
 OR { 2427}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "10  " and name "HG1 ")
 ASSI { 2429}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "100 " and name "HG22")
      4.400     2.400     1.600 peak  2429 weight  0.10000E+01 volume  0.10200E+00 ppm1      9.276 ppm2      0.935
 OR { 2429}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 2429}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 2429}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 2429}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 2429}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 2429}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "53  " and name "HD13")
 ASSI { 2461}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
      2.400     0.700     0.700 peak  2461 weight  0.10000E+01 volume  0.29030E+01 ppm1      8.888 ppm2      1.518
 OR { 2461}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
 ASSI { 2981}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
      3.000     1.100     1.100 peak  2981 weight  0.10000E+01 volume  0.91500E+00 ppm1      8.613 ppm2      1.485
 OR { 2981}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 2981}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
 ASSI { 2476}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB1 ")
      3.200     1.300     1.300 peak  2476 weight  0.10000E+01 volume  0.58300E+00 ppm1      8.888 ppm2      1.654
 OR { 2476}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2476}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 2992}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HA  ")
      3.100     1.200     1.200 peak  2992 weight  0.10000E+01 volume  0.49000E+00 ppm1      8.607 ppm2      4.829
 OR { 2992}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
 ASSI { 2468}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD13")
      3.400     1.400     1.400 peak  2468 weight  0.10000E+01 volume  0.51800E+00 ppm1      8.884 ppm2      0.904
 OR { 2468}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 2468}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "52  " and name "HD2 ")
 OR { 2468}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 2462}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
      2.500     0.800     0.800 peak  2462 weight  0.10000E+01 volume  0.24510E+01 ppm1      8.888 ppm2      1.339
 OR { 2462}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB1 ")
 OR { 2462}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG  ")
 ASSI { 2986}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB2 ")
      3.100     1.200     1.200 peak  2986 weight  0.10000E+01 volume  0.63400E+00 ppm1      8.614 ppm2      1.645
 OR { 2986}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB1 ")
 ASSI { 2995}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD12")
      4.000     2.000     2.000 peak  2995 weight  0.10000E+01 volume  0.22200E+00 ppm1      8.621 ppm2      0.722
 OR { 2995}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 2995}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 2995}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 2995}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 2995}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 2995}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD22")
 ASSI { 2469}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG2 ")
      3.400     1.400     1.400 peak  2469 weight  0.10000E+01 volume  0.40400E+00 ppm1      8.884 ppm2      1.152
 OR { 2469}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "52  " and name "HD1 ")
 ASSI { 2557}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      3.100     1.200     1.200 peak  2557 weight  0.10000E+01 volume  0.56000E+00 ppm1      8.165 ppm2      4.362
 OR { 2557}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA1 ")
 ASSI { 3441}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
      3.300     1.400     1.400 peak  3441 weight  0.10000E+01 volume  0.48700E+00 ppm1      7.504 ppm2      1.586
 OR { 3441}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD2 ")
 OR { 3441}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD1 ")
 ASSI { 3463}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HA  ")
      2.400     0.700     0.700 peak  3463 weight  0.10000E+01 volume  0.23870E+01 ppm1      7.504 ppm2      4.524
 OR { 3463}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 2572}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB  ")
      3.900     1.900     1.900 peak  2572 weight  0.10000E+01 volume  0.17000E+00 ppm1      9.127 ppm2      2.517
 OR { 2572}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 3091}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA2 ")
      4.100     2.100     1.900 peak  3091 weight  0.10000E+01 volume  0.10900E+00 ppm1      7.948 ppm2      3.542
 OR { 3091}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD1 ")
 ASSI { 3088}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "5   " and name "HD2 ")
      3.700     1.700     1.700 peak  3088 weight  0.10000E+01 volume  0.22000E+00 ppm1      7.946 ppm2      3.231
 OR { 3088}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD2 ")
 OR { 3088}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD1 ")
 ASSI { 3081}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG1 ")
      3.000     1.100     1.100 peak  3081 weight  0.10000E+01 volume  0.80300E+00 ppm1      7.949 ppm2      1.745
 OR { 3081}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB2 ")
 ASSI { 3254}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HE1 ")
      4.800     2.900     1.200 peak  3254 weight  0.10000E+01 volume  0.10100E+00 ppm1      8.144 ppm2      6.701
 OR { 3254}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HE2 ")
 OR { 3254}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HE2 ")
 ASSI { 3225}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB2 ")
      2.500     0.800     0.800 peak  3225 weight  0.10000E+01 volume  0.27870E+01 ppm1      8.147 ppm2      2.836
 OR { 3225}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 3242}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HE2 ")
      3.900     1.900     1.900 peak  3242 weight  0.10000E+01 volume  0.40900E+00 ppm1      8.147 ppm2      6.848
 OR { 3242}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD2 ")
 OR { 3242}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD1 ")
 ASSI { 3124}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD23")
      4.300     2.300     1.700 peak  3124 weight  0.10000E+01 volume  0.12700E+00 ppm1      8.772 ppm2      0.829
 OR { 3124}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 3124}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 3124}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 3124}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 3117}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      3.100     1.200     1.200 peak  3117 weight  0.10000E+01 volume  0.59800E+00 ppm1      8.766 ppm2      2.972
 OR { 3117}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
 ASSI { 3119}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD1 ")
      3.700     1.700     1.700 peak  3119 weight  0.10000E+01 volume  0.56200E+00 ppm1      8.766 ppm2      6.947
 OR { 3119}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "80  " and name "HD1 ")
 OR { 3119}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 3121}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HE3 ")
      4.400     2.400     1.600 peak  3121 weight  0.10000E+01 volume  0.17600E+00 ppm1      8.772 ppm2      7.382
 OR { 3121}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HE1 ")
 ASSI { 3115}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD1 ")
      3.700     1.700     1.700 peak  3115 weight  0.10000E+01 volume  0.56300E+00 ppm1      8.773 ppm2      7.031
 OR { 3115}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE1 ")
 OR { 3115}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD2 ")
 ASSI { 3246}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "93  " and name "HD1 ")
      3.600     1.600     1.600 peak  3246 weight  0.10000E+01 volume  0.24900E+00 ppm1      8.180 ppm2      3.790
 OR { 3246}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA2 ")
 ASSI { 3251}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "93  " and name "HD2 ")
      3.900     1.900     1.900 peak  3251 weight  0.10000E+01 volume  0.16700E+00 ppm1      8.179 ppm2      3.578
 OR { 3251}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "21  " and name "HD1 ")
 ASSI { 3231}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
      2.900     1.100     1.100 peak  3231 weight  0.10000E+01 volume  0.12980E+01 ppm1      8.176 ppm2      0.775
 OR { 3231}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 3231}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 3231}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 3231}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD13")
 OR { 3231}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 3230}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HA  ")
      2.400     0.700     0.700 peak  3230 weight  0.10000E+01 volume  0.21920E+01 ppm1      8.173 ppm2      4.342
 OR { 3230}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
 ASSI { 3011}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      3.500     1.500     1.500 peak  3011 weight  0.10000E+01 volume  0.23200E+00 ppm1      8.289 ppm2      8.622
 OR { 3011}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
 ASSI { 2399}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      4.200     2.200     1.800 peak  2399 weight  0.10000E+01 volume  0.11300E+00 ppm1      7.931 ppm2      3.065
 OR { 2399}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "106 " and name "HB2 ")
 OR { 2399}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB1 ")
 ASSI { 3531}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HB  ")
      2.800     1.000     1.000 peak  3531 weight  0.10000E+01 volume  0.11770E+01 ppm1      9.121 ppm2      4.619
 OR { 3531}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HA  ")
 ASSI { 2394}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      4.100     2.100     1.900 peak  2394 weight  0.10000E+01 volume  0.11300E+00 ppm1      7.934 ppm2      2.936
 OR { 2394}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "105 " and name "HB1 ")
 ASSI { 2397}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      4.000     2.000     2.000 peak  2397 weight  0.10000E+01 volume  0.14200E+00 ppm1      7.921 ppm2      2.986
 OR { 2397}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "105 " and name "HB1 ")
 OR { 2397}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "106 " and name "HB2 ")
 ASSI { 3533}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG23")
      3.400     1.400     1.400 peak  3533 weight  0.10000E+01 volume  0.53600E+00 ppm1      9.126 ppm2      0.942
 OR { 3533}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 3533}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 3533}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 3533}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
 ASSI { 2385}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB1 ")
      2.800     1.000     1.000 peak  2385 weight  0.10000E+01 volume  0.12100E+01 ppm1      7.932 ppm2      1.905
 OR { 2385}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 2386}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB1 ")
      3.000     1.100     1.100 peak  2386 weight  0.10000E+01 volume  0.82600E+00 ppm1      7.933 ppm2      2.096
 OR { 2386}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
 ASSI { 2390}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "106 " and name "HD2 ")
      4.100     2.100     1.900 peak  2390 weight  0.10000E+01 volume  0.27800E+00 ppm1      7.934 ppm2      6.790
 OR { 2390}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "37  " and name "HE  ")
 ASSI { 3594}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "103 " and name "HA  ")
      3.500     1.500     1.500 peak  3594 weight  0.10000E+01 volume  0.25300E+00 ppm1      7.583 ppm2      4.333
 OR { 3594}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "104 " and name "HA  ")
 ASSI { 2804}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "40  " and name "HN  ")
      3.700     1.700     1.700 peak  2804 weight  0.10000E+01 volume  0.15400E+00 ppm1      9.141 ppm2      7.830
 OR { 2804}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HN  ")
 ASSI { 2794}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "31  " and name "HE1 ")
      3.600     1.600     1.600 peak  2794 weight  0.10000E+01 volume  0.64600E+00 ppm1      9.143 ppm2      6.920
 OR { 2794}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "80  " and name "HD2 ")
 ASSI { 2797}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD2 ")
      3.600     1.600     1.600 peak  2797 weight  0.10000E+01 volume  0.39000E+00 ppm1      9.145 ppm2      7.358
 OR { 2797}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 2797}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "103 " and name "HN  ")
 OR { 2797}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 2795}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "79  " and name "HN  ")
      2.900     1.100     1.100 peak  2795 weight  0.10000E+01 volume  0.73000E+00 ppm1      9.144 ppm2      8.481
 OR { 2795}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "102 " and name "HN  ")
 ASSI { 2792}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
      2.900     1.100     1.100 peak  2792 weight  0.10000E+01 volume  0.10520E+01 ppm1      9.145 ppm2      1.623
 OR { 2792}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB1 ")
 ASSI { 2801}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      3.900     1.900     1.900 peak  2801 weight  0.10000E+01 volume  0.14400E+00 ppm1      9.141 ppm2      4.028
 OR { 2801}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "102 " and name "HA  ")
 ASSI { 3269}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA1 ")
      4.000     2.000     2.000 peak  3269 weight  0.10000E+01 volume  0.11600E+00 ppm1      8.110 ppm2      3.886
 OR { 3269}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 3269}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 2770}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HE  ")
      4.100     2.100     1.900 peak  2770 weight  0.10000E+01 volume  0.18200E+00 ppm1      9.329 ppm2      6.848
 OR { 2770}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "79  " and name "HD1 ")
 OR { 2770}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "38  " and name "HE2 ")
 ASSI { 2764}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "35  " and name "HN  ")
      3.300     1.400     1.400 peak  2764 weight  0.10000E+01 volume  0.49000E+00 ppm1      9.329 ppm2      7.367
 OR { 2764}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HE  ")
 OR { 2764}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 2767}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HD2 ")
      3.700     1.700     1.700 peak  2767 weight  0.10000E+01 volume  0.22300E+00 ppm1      9.324 ppm2      2.545
 OR { 2767}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "4   " and name "HG2 ")
 ASSI { 2769}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HD1 ")
      4.100     2.100     1.900 peak  2769 weight  0.10000E+01 volume  0.12900E+00 ppm1      9.324 ppm2      3.463
 OR { 2769}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "107 " and name "HB1 ")
 ASSI { 3273}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HB2 ")
      2.400     0.700     0.700 peak  3273 weight  0.10000E+01 volume  0.42530E+01 ppm1      7.855 ppm2      1.274
 OR { 3273}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HB3 ")
 OR { 3273}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 3273}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 2840}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG2 ")
      3.100     1.200     1.200 peak  2840 weight  0.10000E+01 volume  0.66500E+00 ppm1      8.994 ppm2      1.314
 OR { 2840}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 3274}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA  ")
      2.300     0.700     0.700 peak  3274 weight  0.10000E+01 volume  0.36300E+01 ppm1      7.855 ppm2      4.130
 OR { 3274}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HA  ")
 ASSI { 3330}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
      3.800     1.800     1.800 peak  3330 weight  0.10000E+01 volume  0.15200E+00 ppm1      8.658 ppm2      3.988
 OR { 3330}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "83  " and name "HA  ")
 ASSI { 3329}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "80  " and name "HD1 ")
      4.100     2.100     1.900 peak  3329 weight  0.10000E+01 volume  0.30000E+00 ppm1      8.655 ppm2      7.016
 OR { 3329}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD1 ")
 OR { 3329}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD2 ")
 ASSI { 3332}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB2 ")
      3.200     1.300     1.300 peak  3332 weight  0.10000E+01 volume  0.53500E+00 ppm1      8.658 ppm2      1.889
 OR { 3332}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 3327}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB1 ")
      3.200     1.300     1.300 peak  3327 weight  0.10000E+01 volume  0.55600E+00 ppm1      8.659 ppm2      2.049
 OR { 3327}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB1 ")
 ASSI { 3331}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
      3.700     1.700     1.700 peak  3331 weight  0.10000E+01 volume  0.25800E+00 ppm1      8.660 ppm2      0.869
 OR { 3331}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG12")
 OR { 3331}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 3331}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG23")
 ASSI { 3431}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD12")
      4.200     2.200     1.800 peak  3431 weight  0.10000E+01 volume  0.15800E+00 ppm1      9.003 ppm2      0.778
 OR { 3431}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 3431}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 3431}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 2851}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
      3.900     1.900     1.900 peak  2851 weight  0.10000E+01 volume  0.19600E+00 ppm1      8.756 ppm2      7.211
 OR { 2851}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "84  " and name "HN  ")
 ASSI { 2842}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB2 ")
      2.700     0.900     0.900 peak  2842 weight  0.10000E+01 volume  0.14290E+01 ppm1      8.756 ppm2      2.866
 OR { 2842}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
 ASSI { 2848}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB1 ")
      3.500     1.500     1.500 peak  2848 weight  0.10000E+01 volume  0.32300E+00 ppm1      8.758 ppm2      1.964
 OR { 2848}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 2844}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      3.000     1.100     1.100 peak  2844 weight  0.10000E+01 volume  0.64000E+00 ppm1      8.753 ppm2      5.255
 OR { 2844}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI { 3486}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB1 ")
      3.100     1.200     1.200 peak  3486 weight  0.10000E+01 volume  0.64100E+00 ppm1      8.542 ppm2      1.268
 OR { 3486}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG1 ")
 OR { 3486}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG2 ")
 ASSI { 3492}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "97  " and name "HA  ")
      3.800     1.800     1.800 peak  3492 weight  0.10000E+01 volume  0.14900E+00 ppm1      8.539 ppm2      5.071
 OR { 3492}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "13  " and name "HA  ")
 ASSI { 2914}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "66  " and name "HN  ")
      3.500     1.500     1.500 peak  2914 weight  0.10000E+01 volume  0.22800E+00 ppm1      8.387 ppm2      8.791
 OR { 2914}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 3279}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
      4.200     2.200     1.800 peak  3279 weight  0.10000E+01 volume  0.11100E+00 ppm1      8.093 ppm2      2.794
 OR { 3279}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB1 ")
 OR { 3279}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 2703}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG23")
      3.300     1.400     1.400 peak  2703 weight  0.10000E+01 volume  0.57700E+00 ppm1      9.144 ppm2      0.679
 OR { 2703}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 2703}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 2703}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 2703}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG12")
 ASSI { 2697}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB2 ")
      2.600     0.800     0.800 peak  2697 weight  0.10000E+01 volume  0.21920E+01 ppm1      9.144 ppm2      2.638
 OR { 2697}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 2697}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB1 ")
 ASSI { 3465}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
      3.900     1.900     1.900 peak  3465 weight  0.10000E+01 volume  0.17200E+00 ppm1      8.489 ppm2      1.486
 OR { 3465}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
 OR { 3465}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
 ASSI { 3460}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HB1 ")
      3.500     1.500     1.500 peak  3460 weight  0.10000E+01 volume  0.34600E+00 ppm1      8.486 ppm2      1.916
 OR { 3460}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HG2 ")
 ASSI { 3459}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
      3.600     1.600     1.600 peak  3459 weight  0.10000E+01 volume  0.28300E+00 ppm1      8.483 ppm2      1.649
 OR { 3459}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB2 ")
 ASSI { 3527}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HN  ")
      3.400     1.400     1.400 peak  3527 weight  0.10000E+01 volume  0.25500E+00 ppm1      8.511 ppm2      9.304
 OR { 3527}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
 ASSI { 3519}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HB2 ")
      2.500     0.800     0.800 peak  3519 weight  0.10000E+01 volume  0.27550E+01 ppm1      8.515 ppm2      1.821
 OR { 3519}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB2 ")
 OR { 3519}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HB  ")
 ASSI { 3600}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "107 " and name "HB1 ")
      2.900     1.100     1.100 peak  3600 weight  0.10000E+01 volume  0.95700E+00 ppm1      8.231 ppm2      3.474
 OR { 3600}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "2   " and name "HA2 ")
 ASSI { 3599}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "2   " and name "HN  ")
      2.900     1.100     1.100 peak  3599 weight  0.10000E+01 volume  0.69800E+00 ppm1      8.235 ppm2      8.708
 OR { 3599}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "78  " and name "HN  ")
 ASSI { 3613}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "3   " and name "HB1 ")
      4.400     2.400     1.600 peak  3613 weight  0.10000E+01 volume  0.94000E-01 ppm1      8.232 ppm2      2.129
 OR { 3613}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "108 " and name "HB1 ")
 ASSI { 3607}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG1 ")
      3.900     1.900     1.900 peak  3607 weight  0.10000E+01 volume  0.16000E+00 ppm1      8.234 ppm2      2.517
 OR { 3607}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG2 ")
 OR { 3607}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 3612}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "4   " and name "HG1 ")
      4.200     2.200     1.800 peak  3612 weight  0.10000E+01 volume  0.11500E+00 ppm1      8.230 ppm2      2.708
 OR { 3612}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 3612}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "105 " and name "HB2 ")
 OR { 3612}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 2374}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "50  " and name "HE1 ")
      4.100     2.100     1.900 peak  2374 weight  0.10000E+01 volume  0.25400E+00 ppm1      9.174 ppm2      7.109
 OR { 2374}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "80  " and name "HZ  ")
 ASSI { 2371}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG22")
      3.700     1.700     1.700 peak  2371 weight  0.10000E+01 volume  0.31200E+00 ppm1      9.178 ppm2      1.011
 OR { 2371}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 2371}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB2 ")
 OR { 2371}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2371}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 2371}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG11")
 ASSI { 2369}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
      3.100     1.200     1.200 peak  2369 weight  0.10000E+01 volume  0.48400E+00 ppm1      9.178 ppm2      4.708
 OR { 2369}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
 ASSI { 3185}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      3.900     1.900     1.900 peak  3185 weight  0.10000E+01 volume  0.14300E+00 ppm1      8.776 ppm2      4.861
 OR { 3185}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 3186}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA2 ")
      3.700     1.700     1.700 peak  3186 weight  0.10000E+01 volume  0.19000E+00 ppm1      8.784 ppm2      3.825
 OR { 3186}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 3186}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA1 ")
 OR { 3186}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 3182}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      3.400     1.400     1.400 peak  3182 weight  0.10000E+01 volume  0.29200E+00 ppm1      8.776 ppm2      8.468
 OR { 3182}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "46  " and name "HN  ")
 ASSI { 3174}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
      2.500     0.800     0.800 peak  3174 weight  0.10000E+01 volume  0.19350E+01 ppm1      8.777 ppm2      4.657
 OR { 3174}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA  ")
 ASSI { 3180}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HN  ")
      2.800     2.800     2.200 peak  3180 weight  0.10000E+01 volume  0.82400E+00 ppm1      8.778 ppm2      8.966
 OR { 3180}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
 ASSI { 3179}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG2 ")
      2.900     1.100     1.100 peak  3179 weight  0.10000E+01 volume  0.96000E+00 ppm1      8.775 ppm2      2.350
 OR { 3179}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG1 ")
 OR { 3179}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB  ")
 ASSI { 3299}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HD1 ")
      4.100     2.100     1.900 peak  3299 weight  0.10000E+01 volume  0.13400E+00 ppm1      8.155 ppm2      3.170
 OR { 3299}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB1 ")
 OR { 3299}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HD2 ")
 ASSI { 2937}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG12")
      3.900     1.900     1.900 peak  2937 weight  0.10000E+01 volume  0.22800E+00 ppm1      8.967 ppm2      0.779
 OR { 2937}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 2937}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG13")
 OR { 2937}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG13")
 ASSI { 2935}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA2 ")
      3.700     1.700     1.700 peak  2935 weight  0.10000E+01 volume  0.18800E+00 ppm1      8.969 ppm2      4.730
 OR { 2935}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 2927}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG23")
      3.900     1.900     1.900 peak  2927 weight  0.10000E+01 volume  0.21100E+00 ppm1      8.970 ppm2      1.014
 OR { 2927}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2927}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 2927}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG21")
 ASSI { 2932}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      3.400     1.400     1.400 peak  2932 weight  0.10000E+01 volume  0.26200E+00 ppm1      8.964 ppm2      9.438
 OR { 2932}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
 ASSI { 2378}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB  ")
      2.600     0.800     0.800 peak  2378 weight  0.10000E+01 volume  0.21290E+01 ppm1      8.970 ppm2      2.507
 OR { 2378}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 2936}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "80  " and name "HZ  ")
      4.700     2.800     1.300 peak  2936 weight  0.10000E+01 volume  0.12900E+00 ppm1      8.969 ppm2      7.123
 OR { 2936}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD1 ")
 ASSI { 2933}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HD2 ")
      4.500     2.500     1.500 peak  2933 weight  0.10000E+01 volume  0.16000E+00 ppm1      8.973 ppm2      6.940
 OR { 2933}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 2933}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 2933}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 2934}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
      4.000     2.000     2.000 peak  2934 weight  0.10000E+01 volume  0.18000E+00 ppm1      8.969 ppm2      1.274
 OR { 2934}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
 OR { 2934}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2934}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
 ASSI { 2382}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "108 " and name "HA  ")
      4.000     2.000     2.000 peak  2382 weight  0.10000E+01 volume  0.11800E+00 ppm1      8.679 ppm2      4.199
 OR { 2382}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 2921}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG23")
      3.100     1.200     1.200 peak  2921 weight  0.10000E+01 volume  0.92600E+00 ppm1      8.997 ppm2      0.995
 OR { 2921}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2921}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 2921}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 2921}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG21")
 ASSI { 2926}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
      3.500     1.500     1.500 peak  2926 weight  0.10000E+01 volume  0.42800E+00 ppm1      8.997 ppm2      0.848
 OR { 2926}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG11")
 OR { 2926}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 2926}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 2926}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 2926}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 2926}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG22")
 OR { 2926}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG12")
 OR { 2926}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG12")
 OR { 2926}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG11")
 OR { 2926}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 2917}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      2.100     0.600     0.600 peak  2917 weight  0.10000E+01 volume  0.47830E+01 ppm1      8.990 ppm2      4.495
 OR { 2917}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA  ")
 ASSI { 2928}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB  ")
      3.300     1.400     1.400 peak  2928 weight  0.10000E+01 volume  0.47800E+00 ppm1      8.995 ppm2      1.885
 OR { 2928}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB2 ")
 OR { 2928}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB1 ")
 OR { 2928}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 2928}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
 ASSI { 3505}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD21")
      3.200     1.300     1.300 peak  3505 weight  0.10000E+01 volume  0.79200E+00 ppm1      9.291 ppm2      0.722
 OR { 3505}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD22")
 OR { 3505}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG12")
 OR { 3505}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 3514}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG1 ")
      3.600     1.600     1.600 peak  3514 weight  0.10000E+01 volume  0.29200E+00 ppm1      9.298 ppm2      1.326
 OR { 3514}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG  ")
 ASSI { 3511}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
      3.400     1.400     1.400 peak  3511 weight  0.10000E+01 volume  0.41500E+00 ppm1      9.292 ppm2      1.555
 OR { 3511}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "10  " and name "HB2 ")
 OR { 3511}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB1 ")
 OR { 3511}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 3511}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "10  " and name "HG2 ")
 ASSI { 2663}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
      3.600     1.600     1.600 peak  2663 weight  0.10000E+01 volume  0.20200E+00 ppm1      9.741 ppm2      8.810
 OR { 2663}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 2665}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      3.800     1.800     1.800 peak  2665 weight  0.10000E+01 volume  0.19100E+00 ppm1      9.748 ppm2      2.213
 OR { 2665}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB  ")
 OR { 2665}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG1 ")
 ASSI { 3400}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB  ")
      3.600     1.600     1.600 peak  3400 weight  0.10000E+01 volume  0.28800E+00 ppm1      9.047 ppm2      1.836
 OR { 3400}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB2 ")
 OR { 3400}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB1 ")
 ASSI { 3390}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HA  ")
      2.500     0.800     0.800 peak  3390 weight  0.10000E+01 volume  0.19870E+01 ppm1      9.046 ppm2      5.284
 OR { 3390}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 3401}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG11")
      3.900     1.900     1.900 peak  3401 weight  0.10000E+01 volume  0.22300E+00 ppm1      9.050 ppm2      0.834
 OR { 3401}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 3401}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 3401}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 3401}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG22")
 OR { 3401}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG12")
 OR { 3401}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG12")
 OR { 3401}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG11")
 OR { 3401}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 3397}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HN  ")
      3.100     1.200     1.200 peak  3397 weight  0.10000E+01 volume  0.45300E+00 ppm1      9.047 ppm2      8.412
 OR { 3397}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 3397}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 3393}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      3.100     1.200     1.200 peak  3393 weight  0.10000E+01 volume  0.99000E+00 ppm1      9.040 ppm2      1.180
 OR { 3393}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
 OR { 3393}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3393}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
 ASSI { 3399}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
      3.700     1.700     1.700 peak  3399 weight  0.10000E+01 volume  0.17900E+00 ppm1      9.039 ppm2      8.577
 OR { 3399}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "51  " and name "HN  ")
 ASSI { 2828}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB2 ")
      3.300     1.400     1.400 peak  2828 weight  0.10000E+01 volume  0.45900E+00 ppm1      9.144 ppm2      3.177
 OR { 2828}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD1 ")
 OR { 2828}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD2 ")
 ASSI { 2716}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      3.100     1.200     1.200 peak  2716 weight  0.10000E+01 volume  0.43600E+00 ppm1      7.984 ppm2      9.146
 OR { 2716}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
 ASSI { 2722}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD11")
      4.300     2.300     1.700 peak  2722 weight  0.10000E+01 volume  0.12500E+00 ppm1      7.986 ppm2      0.688
 OR { 2722}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 2722}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 2722}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG12")
 ASSI { 2819}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      2.600     0.800     0.800 peak  2819 weight  0.10000E+01 volume  0.14960E+01 ppm1      9.145 ppm2      4.303
 OR { 2819}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 2820}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA2 ")
      2.500     0.800     0.800 peak  2820 weight  0.10000E+01 volume  0.19250E+01 ppm1      9.144 ppm2      3.843
 OR { 2820}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 2820}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 2949}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      3.900     1.900     1.900 peak  2949 weight  0.10000E+01 volume  0.11200E+00 ppm1      9.843 ppm2      9.077
 OR { 2949}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
 ASSI { 2652}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      3.700     1.700     1.700 peak  2652 weight  0.10000E+01 volume  0.18900E+00 ppm1      8.809 ppm2      5.328
 OR { 2652}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 2648}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG23")
      4.000     2.000     2.000 peak  2648 weight  0.10000E+01 volume  0.21600E+00 ppm1      8.806 ppm2      1.007
 OR { 2648}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 2648}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG21")
 OR { 2648}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 ASSI { 2641}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      2.700     0.900     0.900 peak  2641 weight  0.10000E+01 volume  0.11830E+01 ppm1      8.810 ppm2      4.548
 OR { 2641}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 2645}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      3.300     1.400     1.400 peak  2645 weight  0.10000E+01 volume  0.30100E+00 ppm1      8.811 ppm2      8.397
 OR { 2645}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "46  " and name "HN  ")
 ASSI { 2640}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG21")
      3.200     1.300     1.300 peak  2640 weight  0.10000E+01 volume  0.80300E+00 ppm1      8.810 ppm2      0.486
 OR { 2640}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 2640}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG23")
 OR { 2640}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG22")
 ASSI { 2655}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
      4.400     2.400     1.600 peak  2655 weight  0.10000E+01 volume  0.83000E-01 ppm1      8.810 ppm2      1.933
 OR { 2655}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB  ")
 ASSI { 2650}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB  ")
      3.900     1.900     1.900 peak  2650 weight  0.10000E+01 volume  0.18400E+00 ppm1      8.814 ppm2      1.564
 OR { 2650}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "28  " and name "HG  ")
 ASSI { 3388}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HN  ")
      3.400     1.400     1.400 peak  3388 weight  0.10000E+01 volume  0.26700E+00 ppm1      9.364 ppm2      8.594
 OR { 3388}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
 ASSI { 2829}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HN  ")
      3.100     1.200     1.200 peak  2829 weight  0.10000E+01 volume  0.47000E+00 ppm1      9.118 ppm2      7.842
 OR { 2829}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "33  " and name "HN  ")
 ASSI { 2826}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD1 ")
      3.300     1.400     1.400 peak  2826 weight  0.10000E+01 volume  0.50700E+00 ppm1      9.115 ppm2      7.391
 OR { 2826}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
 ASSI { 2813}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      3.600     1.600     1.600 peak  2813 weight  0.10000E+01 volume  0.23100E+00 ppm1      9.116 ppm2      4.666
 OR { 2813}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA1 ")
 OR { 2813}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
 ASSI { 2839}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
      3.300     1.400     1.400 peak  2839 weight  0.10000E+01 volume  0.33800E+00 ppm1      9.116 ppm2      4.550
 OR { 2839}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
 ASSI { 3384}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG21")
      3.500     1.500     1.500 peak  3384 weight  0.10000E+01 volume  0.46100E+00 ppm1      9.363 ppm2      0.835
 OR { 3384}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 3384}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 3384}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG11")
 OR { 3384}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 3384}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG21")
 OR { 3384}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG12")
 ASSI { 2609}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
      3.100     1.200     1.200 peak  2609 weight  0.10000E+01 volume  0.65000E+00 ppm1      9.432 ppm2      1.914
 OR { 2609}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB1 ")
 OR { 2609}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB  ")
 ASSI { 2610}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
      3.100     1.200     1.200 peak  2610 weight  0.10000E+01 volume  0.71000E+00 ppm1      9.432 ppm2      2.011
 OR { 2610}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB2 ")
 ASSI { 2613}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      3.400     1.400     1.400 peak  2613 weight  0.10000E+01 volume  0.31100E+00 ppm1      9.433 ppm2      4.499
 OR { 2613}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA  ")
 ASSI { 2605}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG12")
      3.300     1.400     1.400 peak  2605 weight  0.10000E+01 volume  0.62600E+00 ppm1      9.434 ppm2      0.689
 OR { 2605}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 2605}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 2605}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG13")
 OR { 2605}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 2619}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA  ")
      3.700     1.700     1.700 peak  2619 weight  0.10000E+01 volume  0.18900E+00 ppm1      9.438 ppm2      4.634
 OR { 2619}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 2612}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB  ")
      3.600     1.600     1.600 peak  2612 weight  0.10000E+01 volume  0.26600E+00 ppm1      9.435 ppm2      1.541
 OR { 2612}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB2 ")
 ASSI { 2606}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
      3.100     1.200     1.200 peak  2606 weight  0.10000E+01 volume  0.68600E+00 ppm1      9.435 ppm2      1.787
 OR { 2606}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB1 ")
 OR { 2606}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB  ")
 ASSI { 2604}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
      2.600     0.800     0.800 peak  2604 weight  0.10000E+01 volume  0.12390E+01 ppm1      9.432 ppm2      8.994
 OR { 2604}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "49  " and name "HN  ")
 OR { 2604}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "88  " and name "HN  ")
 ASSI { 3620}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HE22")
      4.200     2.200     1.800 peak  3620 weight  0.10000E+01 volume  0.13900E+00 ppm1      8.485 ppm2      6.788
 OR { 3620}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "106 " and name "HD2 ")
 OR { 3620}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "106 " and name "HD1 ")
 ASSI { 3633}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HD12")
      4.300     2.300     1.700 peak  3633 weight  0.10000E+01 volume  0.12400E+00 ppm1      9.726 ppm2      0.812
 OR { 3633}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 3633}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HD11")
 OR { 3633}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 3633}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG21")
 OR { 3633}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 3633}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 3633}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 3627}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "60  " and name "HN  ")
      3.900     1.900     1.900 peak  3627 weight  0.10000E+01 volume  0.11400E+00 ppm1      9.736 ppm2      8.631
 OR { 3627}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 3630}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG11")
      4.100     2.100     1.900 peak  3630 weight  0.10000E+01 volume  0.17400E+00 ppm1      9.735 ppm2      0.702
 OR { 3630}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 3630}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 3630}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HD12")
 OR { 3630}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HD13")
 ASSI { 2736}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "34  " and name "HD2 ")
      4.000     2.000     2.000 peak  2736 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.864 ppm2      3.144
 OR { 2736}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 2727}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      3.300     1.400     1.400 peak  2727 weight  0.10000E+01 volume  0.34100E+00 ppm1      7.854 ppm2      9.114
 OR { 2727}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
 ASSI { 2729}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "34  " and name "HD1 ")
      3.700     1.700     1.700 peak  2729 weight  0.10000E+01 volume  0.25000E+00 ppm1      7.862 ppm2      3.787
 OR { 2729}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 2732}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG1 ")
      3.900     1.900     1.900 peak  2732 weight  0.10000E+01 volume  0.16400E+00 ppm1      7.860 ppm2      1.490
 OR { 2732}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB2 ")
 OR { 2732}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "39  " and name "HG  ")
 ASSI { 3500}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HG2 ")
      3.400     1.400     1.400 peak  3500 weight  0.10000E+01 volume  0.36500E+00 ppm1      8.367 ppm2      1.609
 OR { 3500}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI { 3443}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "92  " and name "HB1 ")
      4.000     2.000     2.000 peak  3443 weight  0.10000E+01 volume  0.13900E+00 ppm1      9.062 ppm2      1.799
 OR { 3443}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 3585}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "104 " and name "HA  ")
      3.700     1.700     1.700 peak  3585 weight  0.10000E+01 volume  0.17800E+00 ppm1      7.514 ppm2      4.304
 OR { 3585}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "103 " and name "HA  ")
 ASSI { 3561}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "28  " and name "HD12")
      3.900     1.900     1.900 peak  3561 weight  0.10000E+01 volume  0.29700E+00 ppm1      7.889 ppm2      0.807
 OR { 3561}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 3561}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 3561}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 3561}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "28  " and name "HD13")
 OR { 3561}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "28  " and name "HD11")
 OR { 3561}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 3561}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG12")
 ASSI { 3692}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG2 ")
      3.200     1.300     1.300 peak  3692 weight  0.10000E+01 volume  0.78100E+00 ppm1      7.235 ppm2      1.543
 OR { 3692}
     (segid "    " and resid "76  " and name "HE  ")
     (segid "    " and resid "76  " and name "HG2 ")
 OR { 3692}
     (segid "    " and resid "76  " and name "HE  ")
     (segid "    " and resid "76  " and name "HG1 ")
 ASSI { 3689}
     (segid "    " and resid "56  " and name "HE  ")
     (segid "    " and resid "56  " and name "HG2 ")
      3.600     1.600     1.600 peak  3689 weight  0.10000E+01 volume  0.36000E+00 ppm1      7.337 ppm2      1.698
 OR { 3689}
     (segid "    " and resid "56  " and name "HE  ")
     (segid "    " and resid "56  " and name "HG1 ")
 OR { 3689}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 2884}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG23")
      4.200     2.200     1.800 peak  2884 weight  0.10000E+01 volume  0.15700E+00 ppm1      8.810 ppm2      0.701
 OR { 2884}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 2884}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 2884}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD12")
 ASSI { 2883}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      3.600     1.600     1.600 peak  2883 weight  0.10000E+01 volume  0.22000E+00 ppm1      8.810 ppm2      4.569
 OR { 2883}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
 ASSI { 2860}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
      3.300     1.400     1.400 peak  2860 weight  0.10000E+01 volume  0.38900E+00 ppm1      8.808 ppm2      4.285
 OR { 2860}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 3523}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HA  ")
      2.300     0.700     0.700 peak  3523 weight  0.10000E+01 volume  0.31970E+01 ppm1      7.861 ppm2      4.596
 OR { 3523}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HA  ")
 ASSI { 3535}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "10  " and name "HG1 ")
      2.700     0.900     0.900 peak  3535 weight  0.10000E+01 volume  0.17210E+01 ppm1      7.863 ppm2      1.602
 OR { 3535}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HG2 ")
 OR { 3535}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "10  " and name "HG2 ")
 OR { 3535}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HG1 ")
 ASSI { 7746}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD13")
      2.700     0.900     0.900 peak  7746 weight  0.10000E+01 volume  0.23720E+01 ppm1      6.674 ppm2      0.911
 OR { 7746}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 7746}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD11")
 ASSI { 7463}
     (segid "    " and resid "31  " and name "HE2 ")
     (segid "    " and resid "31  " and name "HB2 ")
      3.300     1.400     1.400 peak  7463 weight  0.10000E+01 volume  0.26000E+00 ppm1      6.949 ppm2      2.920
 OR { 7463}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 6804}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HA  ")
      2.700     0.900     0.900 peak  6804 weight  0.10000E+01 volume  0.12240E+01 ppm1      6.943 ppm2      4.050
 ASSI { 7687}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "108 " and name "HG2 ")
      2.700     0.900     0.900 peak  7687 weight  0.10000E+01 volume  0.11740E+01 ppm1      6.784 ppm2      2.375
 OR { 7687}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "108 " and name "HG1 ")
 ASSI { 7773}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG23")
      3.300     1.400     1.400 peak  7773 weight  0.10000E+01 volume  0.58900E+00 ppm1      6.985 ppm2      1.154
 OR { 7773}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG22")
 OR { 7773}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG21")
 ASSI { 7694}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HA2 ")
      3.100     1.200     1.200 peak  7694 weight  0.10000E+01 volume  0.13800E+01 ppm1      7.029 ppm2      4.669
 ASSI { 7698}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD22")
      3.200     1.300     1.300 peak  7698 weight  0.10000E+01 volume  0.58300E+00 ppm1      7.030 ppm2      0.785
 OR { 7698}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 7698}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 7698}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 7698}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 7698}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 7698}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD23")
 ASSI { 7671}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HA  ")
      3.100     1.200     1.200 peak  7671 weight  0.10000E+01 volume  0.12480E+01 ppm1      6.922 ppm2      4.915
 OR { 7671}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 7794}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "3   " and name "HA  ")
      2.600     0.800     0.800 peak  7794 weight  0.10000E+01 volume  0.13470E+01 ppm1      6.799 ppm2      4.120
 ASSI { 7845}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "105 " and name "HA  ")
      3.900     1.900     1.900 peak  7845 weight  0.10000E+01 volume  0.50600E+00 ppm1      6.649 ppm2      4.942
 ASSI { 7421}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "86  " and name "HD2 ")
      2.100     0.600     0.600 peak  7421 weight  0.10000E+01 volume  0.12520E+01 ppm1      6.936 ppm2      3.228
 OR { 7421}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "86  " and name "HD1 ")
 ASSI { 7741}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HB1 ")
      2.900     1.100     1.100 peak  7741 weight  0.10000E+01 volume  0.85600E+00 ppm1      6.681 ppm2      2.844
 OR { 7741}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 7741}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 7741}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 7710}
     (segid "    " and resid "61  " and name "HD1 ")
     (segid "    " and resid "52  " and name "HB2 ")
      3.100     1.200     1.200 peak  7710 weight  0.10000E+01 volume  0.68800E+00 ppm1      7.564 ppm2      1.417
 ASSI { 7777}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "49  " and name "HG12")
      4.100     2.100     1.900 peak  7777 weight  0.10000E+01 volume  0.23100E+00 ppm1      7.153 ppm2      0.692
 OR { 7777}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 7777}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "49  " and name "HG13")
 ASSI { 7771}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "82  " and name "HA  ")
      3.200     1.300     1.300 peak  7771 weight  0.10000E+01 volume  0.34800E+00 ppm1      6.977 ppm2      2.884
 ASSI { 7772}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HB2 ")
      2.600     0.800     0.800 peak  7772 weight  0.10000E+01 volume  0.66700E+00 ppm1      6.977 ppm2      2.514
 ASSI { 7823}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD22")
      3.200     1.300     1.300 peak  7823 weight  0.10000E+01 volume  0.54500E+00 ppm1      6.847 ppm2     -0.051
 OR { 7823}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 7823}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD22")
 OR { 7823}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 7823}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD23")
 ASSI { 7802}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HA  ")
      3.500     1.500     1.500 peak  7802 weight  0.10000E+01 volume  0.89500E+00 ppm1      7.132 ppm2      4.383
 OR { 7802}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 7813}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HN  ")
      3.300     1.400     1.400 peak  7813 weight  0.10000E+01 volume  0.51800E+00 ppm1      7.133 ppm2      0.538
 ASSI { 7677}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HG1 ")
      2.100     0.600     0.600 peak  7677 weight  0.10000E+01 volume  0.10230E+01 ppm1      6.927 ppm2      1.859
 ASSI { 7672}
     (segid "    " and resid "86  " and name "HG1 ")
     (segid "    " and resid "86  " and name "HA  ")
      3.000     1.100     1.100 peak  7672 weight  0.10000E+01 volume  0.52500E+00 ppm1      6.942 ppm2      4.677
 ASSI { 7789}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "85  " and name "HG11")
      2.800     1.000     1.000 peak  7789 weight  0.10000E+01 volume  0.17300E+01 ppm1      6.932 ppm2      0.511
 OR { 7789}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "85  " and name "HG13")
 OR { 7789}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "85  " and name "HG12")
 ASSI { 7784}
     (segid "    " and resid "10  " and name "HG1 ")
     (segid "    " and resid "10  " and name "HG2 ")
      2.100     0.600     0.600 peak  7784 weight  0.10000E+01 volume  0.10470E+01 ppm1      6.935 ppm2      1.481
 ASSI { 7779}
     (segid "    " and resid "10  " and name "HG1 ")
     (segid "    " and resid "10  " and name "HA  ")
      3.100     1.200     1.200 peak  7779 weight  0.10000E+01 volume  0.49900E+00 ppm1      6.940 ppm2      5.275
 ASSI { 3670}
     (segid "    " and resid "20  " and name "HE1 ")
     (segid "    " and resid "92  " and name "HD2 ")
      2.300     0.700     0.700 peak  3670 weight  0.10000E+01 volume  0.10240E+01 ppm1      8.461 ppm2      1.456
 ASSI { 3673}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG22")
      2.800     2.800     2.200 peak  3673 weight  0.10000E+01 volume  0.54500E+00 ppm1      8.461 ppm2      0.777
 OR { 3673}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 3673}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG21")
 ASSI { 7724}
     (segid "    " and resid "61  " and name "HZ2 ")
     (segid "    " and resid "52  " and name "HD1 ")
      3.500     1.500     1.500 peak  7724 weight  0.10000E+01 volume  0.27600E+00 ppm1      7.552 ppm2      1.164
 ASSI { 7597}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD23")
      2.900     1.100     1.100 peak  7597 weight  0.10000E+01 volume  0.44200E+00 ppm1      6.937 ppm2      0.726
 OR { 7597}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 7597}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD22")
 ASSI { 7464}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HG1 ")
      2.300     0.700     0.700 peak  7464 weight  0.10000E+01 volume  0.77600E+00 ppm1      6.940 ppm2      2.698
 ASSI { 7446}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "86  " and name "HD2 ")
      2.000     0.500     0.500 peak  7446 weight  0.10000E+01 volume  0.14830E+01 ppm1      6.938 ppm2      3.141
 ASSI { 7368}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "81  " and name "HD1 ")
      2.900     1.100     1.100 peak  7368 weight  0.10000E+01 volume  0.77200E+00 ppm1      6.943 ppm2      3.430
 OR { 7368}
     (segid "    " and resid "31  " and name "HE2 ")
     (segid "    " and resid "81  " and name "HD1 ")
 ASSI { 7662}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HB1 ")
      3.100     1.200     1.200 peak  7662 weight  0.10000E+01 volume  0.37200E+00 ppm1      7.218 ppm2      3.206
 ASSI { 1135}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HA  ")
      4.200     2.200     1.800 peak  1135 weight  0.10000E+01 volume  0.21400E+00 ppm1      7.321 ppm2      4.995
 ASSI { 7719}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "49  " and name "HG11")
      3.600     1.600     1.600 peak  7719 weight  0.10000E+01 volume  0.56200E+00 ppm1      7.417 ppm2      0.697
 OR { 7719}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 7719}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "49  " and name "HG13")
 ASSI { 7731}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "85  " and name "HG21")
      3.100     1.200     1.200 peak  7731 weight  0.10000E+01 volume  0.10320E+01 ppm1      6.742 ppm2      0.873
 OR { 7731}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 7731}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "85  " and name "HG22")
 ASSI { 7718}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "85  " and name "HG23")
      3.300     1.400     1.400 peak  7718 weight  0.10000E+01 volume  0.90100E+00 ppm1      7.418 ppm2      0.872
 OR { 7718}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "85  " and name "HG21")
 OR { 7718}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "85  " and name "HG22")
 ASSI { 7756}
     (segid "    " and resid "103 " and name "HZ3 ")
     (segid "    " and resid "106 " and name "HD1 ")
      4.000     2.000     2.000 peak  7756 weight  0.10000E+01 volume  0.40700E+00 ppm1      6.303 ppm2      6.724
 OR { 7756}
     (segid "    " and resid "103 " and name "HZ3 ")
     (segid "    " and resid "106 " and name "HE1 ")
 ASSI { 7825}
     (segid "    " and resid "105 " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD22")
      4.000     2.000     2.000 peak  7825 weight  0.10000E+01 volume  0.21300E+00 ppm1      6.919 ppm2     -0.050
 OR { 7825}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 7825}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 7825}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD22")
 ASSI { 7645}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD12")
      3.400     1.400     1.400 peak  7645 weight  0.10000E+01 volume  0.66500E+00 ppm1      6.581 ppm2      0.543
 OR { 7645}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 7645}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD13")
 ASSI { 7820}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HN  ")
      2.700     0.900     0.900 peak  7820 weight  0.10000E+01 volume  0.30500E+00 ppm1      6.575 ppm2     -0.061
 ASSI { 5206}
     (segid "    " and resid "60  " and name "HE1 ")
     (segid "    " and resid "81  " and name "HG1 ")
      3.100     1.200     1.200 peak  5206 weight  0.10000E+01 volume  0.51300E+00 ppm1      7.416 ppm2      1.910
 OR { 5206}
     (segid "    " and resid "60  " and name "HE2 ")
     (segid "    " and resid "81  " and name "HG1 ")
 ASSI { 7795}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD1 ")
      2.500     0.800     0.800 peak  7795 weight  0.10000E+01 volume  0.41700E+00 ppm1      6.800 ppm2      3.507
 ASSI { 5874}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HA  ")
      2.700     0.900     0.900 peak  5874 weight  0.10000E+01 volume  0.23050E+01 ppm1      7.406 ppm2      4.613
 ASSI { 2388}
     (segid "    " and resid "20  " and name "HE1 ")
     (segid "    " and resid "92  " and name "HD1 ")
      2.400     0.700     0.700 peak  2388 weight  0.10000E+01 volume  0.68700E+00 ppm1      8.461 ppm2      1.597
 ASSI { 7725}
     (segid "    " and resid "61  " and name "HZ2 ")
     (segid "    " and resid "52  " and name "HD2 ")
      3.200     1.300     1.300 peak  7725 weight  0.10000E+01 volume  0.45300E+00 ppm1      7.552 ppm2      1.009
 ASSI { 7032}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HD1 ")
      1.800     0.400     0.400 peak  7032 weight  0.10000E+01 volume  0.29270E+01 ppm1      6.942 ppm2      3.789
 ASSI { 3746}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "86  " and name "HG2 ")
      2.400     0.700     0.700 peak  3746 weight  0.10000E+01 volume  0.45800E+00 ppm1      6.941 ppm2      1.492
 ASSI { 7684}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HB2 ")
      3.500     1.500     1.500 peak  7684 weight  0.10000E+01 volume  0.28000E+00 ppm1      6.778 ppm2      3.191
 OR { 7684}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HB2 ")
 ASSI { 7660}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HA  ")
      4.600     2.600     1.400 peak  7660 weight  0.10000E+01 volume  0.17800E+00 ppm1      7.224 ppm2      5.283
 ASSI { 7663}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HB2 ")
      3.100     1.200     1.200 peak  7663 weight  0.10000E+01 volume  0.50300E+00 ppm1      7.222 ppm2      2.884
 ASSI { 7717}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "49  " and name "HG23")
      3.100     1.200     1.200 peak  7717 weight  0.10000E+01 volume  0.14030E+01 ppm1      7.415 ppm2      1.139
 OR { 7717}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "49  " and name "HG22")
 OR { 7717}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "49  " and name "HG21")
 ASSI { 7715}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "61  " and name "HB2 ")
      2.900     1.100     1.100 peak  7715 weight  0.10000E+01 volume  0.83500E+00 ppm1      7.416 ppm2      2.503
 ASSI { 7762}
     (segid "    " and resid "103 " and name "HD1 ")
     (segid "    " and resid "103 " and name "HA  ")
      4.100     2.100     1.900 peak  7762 weight  0.10000E+01 volume  0.38700E+00 ppm1      7.115 ppm2      4.366
 ASSI { 7769}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "63  " and name "HA1 ")
      3.800     1.800     1.800 peak  7769 weight  0.10000E+01 volume  0.49400E+00 ppm1      6.982 ppm2      5.118
 ASSI { 7695}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "60  " and name "HB1 ")
      2.700     0.900     0.900 peak  7695 weight  0.10000E+01 volume  0.13070E+01 ppm1      7.036 ppm2      3.135
 OR { 7695}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "60  " and name "HB1 ")
 ASSI { 7805}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "21  " and name "HD2 ")
      2.900     1.100     1.100 peak  7805 weight  0.10000E+01 volume  0.88000E+00 ppm1      7.134 ppm2      3.383
 OR { 7805}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HD2 ")
 ASSI { 7800}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "20  " and name "HA  ")
      3.600     1.600     1.600 peak  7800 weight  0.10000E+01 volume  0.76300E+00 ppm1      7.132 ppm2      4.998
 OR { 7800}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HA  ")
 ASSI { 7804}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HA  ")
      3.300     1.400     1.400 peak  7804 weight  0.10000E+01 volume  0.96100E+00 ppm1      7.135 ppm2      3.536
 OR { 7804}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 7804}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 7803}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HB2 ")
      2.800     1.000     1.000 peak  7803 weight  0.10000E+01 volume  0.10590E+01 ppm1      7.134 ppm2      3.820
 OR { 7803}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7803}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 7806}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HB2 ")
      2.500     0.800     0.800 peak  7806 weight  0.10000E+01 volume  0.17860E+01 ppm1      7.135 ppm2      3.200
 ASSI { 7811}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "21  " and name "HB2 ")
      3.300     1.400     1.400 peak  7811 weight  0.10000E+01 volume  0.40200E+00 ppm1      7.132 ppm2      1.006
 OR { 7811}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 7811}
     (segid "    " and resid "50  " and name "HE2 ")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 7658}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HG1 ")
      2.100     0.600     0.600 peak  7658 weight  0.10000E+01 volume  0.12390E+01 ppm1      7.366 ppm2      1.342
 OR { 7658}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HG1 ")
 ASSI { 7650}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HA  ")
      3.200     1.300     1.300 peak  7650 weight  0.10000E+01 volume  0.13100E+01 ppm1      7.360 ppm2      5.413
 OR { 7650}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 7830}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HB1 ")
      2.100     0.600     0.600 peak  7830 weight  0.10000E+01 volume  0.10850E+01 ppm1      7.069 ppm2      1.623
 OR { 7830}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 7830}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HB1 ")
 OR { 7830}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 7665}
     (segid "    " and resid "5   " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG1 ")
      2.800     1.000     1.000 peak  7665 weight  0.10000E+01 volume  0.18700E+00 ppm1      8.565 ppm2      1.977
 ASSI { 7728}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "87  " and name "HG1 ")
      2.900     1.100     1.100 peak  7728 weight  0.10000E+01 volume  0.91000E+00 ppm1      6.744 ppm2      2.508
 ASSI { 7712}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "80  " and name "HE1 ")
      4.100     2.100     1.900 peak  7712 weight  0.10000E+01 volume  0.51900E+00 ppm1      7.415 ppm2      6.982
 ASSI { 7707}
     (segid "    " and resid "61  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HB1 ")
      3.600     1.600     1.600 peak  7707 weight  0.10000E+01 volume  0.22900E+00 ppm1      7.560 ppm2      3.269
 ASSI { 7709}
     (segid "    " and resid "61  " and name "HD1 ")
     (segid "    " and resid "52  " and name "HB1 ")
      3.000     1.100     1.100 peak  7709 weight  0.10000E+01 volume  0.65200E+00 ppm1      7.563 ppm2      1.661
 ASSI { 7809}
     (segid "    " and resid "50  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HB1 ")
      2.800     1.000     1.000 peak  7809 weight  0.10000E+01 volume  0.98500E+00 ppm1      7.131 ppm2      2.486
 OR { 7809}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 7656}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HB2 ")
      2.500     0.800     0.800 peak  7656 weight  0.10000E+01 volume  0.39500E+00 ppm1      7.357 ppm2      1.695
 ASSI { 7666}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HB3 ")
      2.600     0.800     0.800 peak  7666 weight  0.10000E+01 volume  0.88300E+00 ppm1      8.564 ppm2      1.247
 OR { 7666}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 7666}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 7726}
     (segid "    " and resid "61  " and name "HZ2 ")
     (segid "    " and resid "52  " and name "HE2 ")
      3.400     1.400     1.400 peak  7726 weight  0.10000E+01 volume  0.28700E+00 ppm1      7.552 ppm2      0.237
 ASSI { 7729}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "87  " and name "HG2 ")
      3.100     1.200     1.200 peak  7729 weight  0.10000E+01 volume  0.52900E+00 ppm1      6.745 ppm2      2.158
 ASSI { 7705}
     (segid "    " and resid "61  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HA  ")
      2.900     1.100     1.100 peak  7705 weight  0.10000E+01 volume  0.32190E+01 ppm1      7.558 ppm2      5.329
 ASSI { 7706}
     (segid "    " and resid "61  " and name "HD1 ")
     (segid "    " and resid "52  " and name "HA  ")
      3.000     1.100     1.100 peak  7706 weight  0.10000E+01 volume  0.21960E+01 ppm1      7.560 ppm2      4.831
 ASSI { 7808}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HB2 ")
      2.500     0.800     0.800 peak  7808 weight  0.10000E+01 volume  0.19690E+01 ppm1      7.133 ppm2      2.815
 OR { 7808}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 7785}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HG1 ")
      2.400     0.700     0.700 peak  7785 weight  0.10000E+01 volume  0.46200E+00 ppm1      6.946 ppm2      1.207
 OR { 7785}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HG2 ")
 OR { 7785}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 7785}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HG2 ")
 ASSI { 7790}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HD12")
      3.200     1.300     1.300 peak  7790 weight  0.10000E+01 volume  0.98100E+00 ppm1      6.933 ppm2      0.302
 OR { 7790}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HD13")
 OR { 7790}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HD11")
 ASSI { 7722}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HB2 ")
      2.500     0.800     0.800 peak  7722 weight  0.10000E+01 volume  0.37900E+00 ppm1      7.556 ppm2      1.785
 ASSI { 7721}
     (segid "    " and resid "61  " and name "HZ2 ")
     (segid "    " and resid "61  " and name "HZ3 ")
      4.700     2.800     1.300 peak  7721 weight  0.10000E+01 volume  0.24200E+00 ppm1      7.558 ppm2      6.746
 ASSI { 7727}
     (segid "    " and resid "61  " and name "HZ3 ")
     (segid "    " and resid "61  " and name "HH2 ")
      3.400     1.400     1.400 peak  7727 weight  0.10000E+01 volume  0.16070E+01 ppm1      6.746 ppm2      7.154
 ASSI { 7807}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HB1 ")
      2.500     0.800     0.800 peak  7807 weight  0.10000E+01 volume  0.22150E+01 ppm1      7.131 ppm2      3.047
 OR { 7807}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 7713}
     (segid "    " and resid "61  " and name "HE3 ")
     (segid "    " and resid "61  " and name "HZ3 ")
      3.000     1.100     1.100 peak  7713 weight  0.10000E+01 volume  0.31540E+01 ppm1      7.418 ppm2      6.754
 ASSI { 7760}
     (segid "    " and resid "103 " and name "HH2 ")
     (segid "    " and resid "103 " and name "HZ3 ")
      3.000     1.100     1.100 peak  7760 weight  0.10000E+01 volume  0.35880E+01 ppm1      6.985 ppm2      6.304
 ASSI { 5130}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD23")
      3.200     1.300     1.300 peak  5130 weight  0.10000E+01 volume  0.86800E+00 ppm1      6.663 ppm2      0.786
 OR { 5130}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 5130}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 5130}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "53  " and name "HD22")
 ASSI { 4925}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "77  " and name "HD13")
      4.200     2.200     1.800 peak  4925 weight  0.10000E+01 volume  0.21300E+00 ppm1      7.126 ppm2      0.512
 OR { 4925}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "77  " and name "HD12")
 OR { 4925}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HD13")
 OR { 4925}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "77  " and name "HD11")
 OR { 4925}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HD12")
 OR { 4925}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HD11")
 ASSI { 5631}
     (segid "    " and resid "106 " and name "HD1 ")
     (segid "    " and resid "103 " and name "HA  ")
      3.600     1.600     1.600 peak  5631 weight  0.10000E+01 volume  0.46400E+00 ppm1      6.793 ppm2      4.345
 ASSI { 5270}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "85  " and name "HG23")
      3.200     1.300     1.300 peak  5270 weight  0.10000E+01 volume  0.73700E+00 ppm1      6.924 ppm2      0.848
 OR { 5270}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 5270}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 5395}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "41  " and name "HB  ")
      2.700     0.900     0.900 peak  5395 weight  0.10000E+01 volume  0.12960E+01 ppm1      0.668 ppm2      1.449
 OR { 5395}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 5395}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "41  " and name "HB  ")
 ASSI { 4517}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "14  " and name "HA  ")
      4.300     2.300     1.700 peak  4517 weight  0.10000E+01 volume  0.16000E+00 ppm1      0.785 ppm2      4.497
 OR { 4517}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 4517}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 7129}
     (segid "    " and resid "65  " and name "HG22")
     (segid "    " and resid "64  " and name "HA  ")
      4.400     2.400     1.600 peak  7129 weight  0.10000E+01 volume  0.14400E+00 ppm1      1.027 ppm2      5.234
 OR { 7129}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "64  " and name "HA  ")
 OR { 7129}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 4853}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "48  " and name "HD2 ")
      4.800     2.900     1.200 peak  4853 weight  0.10000E+01 volume  0.99000E-01 ppm1      0.690 ppm2      6.921
 OR { 4853}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 4853}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 4853}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 4853}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 5462}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "24  " and name "HB2 ")
      2.800     1.000     1.000 peak  5462 weight  0.10000E+01 volume  0.97400E+00 ppm1      0.785 ppm2      1.922
 OR { 5462}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 5462}
     (segid "    " and resid "91  " and name "HD13")
     (segid "    " and resid "24  " and name "HB2 ")
 ASSI { 4750}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "78  " and name "HA2 ")
      3.100     1.200     1.200 peak  4750 weight  0.10000E+01 volume  0.86500E+00 ppm1      0.896 ppm2      3.712
 OR { 4750}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "78  " and name "HA2 ")
 OR { 4750}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "78  " and name "HA2 ")
 ASSI { 4749}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "78  " and name "HA1 ")
      3.600     1.600     1.600 peak  4749 weight  0.10000E+01 volume  0.50100E+00 ppm1      0.897 ppm2      4.212
 OR { 4749}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "78  " and name "HA1 ")
 OR { 4749}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "78  " and name "HA1 ")
 ASSI { 4751}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "76  " and name "HD1 ")
      3.700     1.700     1.700 peak  4751 weight  0.10000E+01 volume  0.17800E+00 ppm1      0.899 ppm2      3.170
 OR { 4751}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 4751}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 4751}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "76  " and name "HD1 ")
 OR { 4751}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "76  " and name "HD2 ")
 ASSI { 4585}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "85  " and name "HG13")
      2.700     0.900     0.900 peak  4585 weight  0.10000E+01 volume  0.32510E+01 ppm1      1.189 ppm2      0.489
 OR { 4585}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 4585}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "85  " and name "HG13")
 OR { 4585}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "85  " and name "HG11")
 OR { 4585}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HG13")
 OR { 4585}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 4585}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 4585}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HG11")
 ASSI { 4357}
     (segid "    " and resid "12  " and name "HD22")
     (segid "    " and resid "95  " and name "HA  ")
      3.200     1.300     1.300 peak  4357 weight  0.10000E+01 volume  0.93200E+00 ppm1      0.721 ppm2      4.531
 OR { 4357}
     (segid "    " and resid "12  " and name "HD23")
     (segid "    " and resid "95  " and name "HA  ")
 OR { 4357}
     (segid "    " and resid "12  " and name "HD21")
     (segid "    " and resid "95  " and name "HA  ")
 ASSI { 5504}
     (segid "    " and resid "92  " and name "HG1 ")
     (segid "    " and resid "92  " and name "HA  ")
      2.500     0.800     0.800 peak  5504 weight  0.10000E+01 volume  0.12940E+01 ppm1      1.262 ppm2      4.536
 OR { 5504}
     (segid "    " and resid "92  " and name "HG2 ")
     (segid "    " and resid "92  " and name "HA  ")
 ASSI { 4295}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD11")
      2.500     0.800     0.800 peak  4295 weight  0.10000E+01 volume  0.38990E+01 ppm1      1.716 ppm2      0.922
 OR { 4295}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 4295}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 4295}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 4295}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 4295}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 4295}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 5293}
     (segid "    " and resid "81  " and name "HG1 ")
     (segid "    " and resid "80  " and name "HA  ")
      3.400     1.400     1.400 peak  5293 weight  0.10000E+01 volume  0.19900E+00 ppm1      1.896 ppm2      5.254
 OR { 5293}
     (segid "    " and resid "81  " and name "HG2 ")
     (segid "    " and resid "80  " and name "HA  ")
 ASSI { 4818}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HA  ")
      2.700     0.900     0.900 peak  4818 weight  0.10000E+01 volume  0.69900E+00 ppm1      1.453 ppm2      4.545
 ASSI { 4468}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HE  ")
      3.100     1.200     1.200 peak  4468 weight  0.10000E+01 volume  0.20300E+00 ppm1      1.503 ppm2      7.119
 ASSI { 5280}
     (segid "    " and resid "87  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB2 ")
      2.800     1.000     1.000 peak  5280 weight  0.10000E+01 volume  0.64300E+00 ppm1      2.072 ppm2      1.191
 OR { 5280}
     (segid "    " and resid "87  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 5280}
     (segid "    " and resid "87  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 5280}
     (segid "    " and resid "87  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 4234}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "106 " and name "HD2 ")
      3.400     1.400     1.400 peak  4234 weight  0.10000E+01 volume  0.26200E+00 ppm1      2.192 ppm2      6.777
 OR { 4234}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "106 " and name "HE2 ")
 ASSI { 1330}
     (segid "    " and resid "102 " and name "HB2 ")
     (segid "    " and resid "103 " and name "HD1 ")
      3.700     1.700     1.700 peak  1330 weight  0.10000E+01 volume  0.16200E+00 ppm1      1.386 ppm2      7.069
 ASSI { 4197}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "106 " and name "HD2 ")
      3.100     1.200     1.200 peak  4197 weight  0.10000E+01 volume  0.34800E+00 ppm1      2.101 ppm2      6.808
 ASSI { 6945}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB3 ")
      3.200     1.300     1.300 peak  6945 weight  0.10000E+01 volume  0.23200E+00 ppm1      2.389 ppm2      1.406
 OR { 6945}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6945}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 6945}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB3 ")
 OR { 6945}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6945}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 4970}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HB2 ")
      2.300     0.700     0.700 peak  4970 weight  0.10000E+01 volume  0.10190E+01 ppm1      1.078 ppm2      1.730
 OR { 4970}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 4970}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 5014}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD22")
      2.500     0.800     0.800 peak  5014 weight  0.10000E+01 volume  0.18630E+01 ppm1      2.893 ppm2      0.761
 OR { 5014}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 5014}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD21")
 ASSI { 1501}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
      3.300     1.400     1.400 peak  1501 weight  0.10000E+01 volume  0.23000E+00 ppm1      1.997 ppm2      7.368
 OR { 1501}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 4714}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HD2 ")
      1.800     0.400     0.400 peak  4714 weight  0.10000E+01 volume  0.35570E+01 ppm1      3.070 ppm2      1.611
 OR { 4714}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 4714}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 4714}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 4103}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HE1 ")
      3.100     1.200     1.200 peak  4103 weight  0.10000E+01 volume  0.47500E+00 ppm1      3.782 ppm2      6.937
 ASSI { 5665}
     (segid "    " and resid "10  " and name "HD2 ")
     (segid "    " and resid "10  " and name "HA  ")
      3.200     1.300     1.300 peak  5665 weight  0.10000E+01 volume  0.27900E+00 ppm1      3.106 ppm2      5.214
 ASSI { 5023}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "105 " and name "HB1 ")
      3.400     1.400     1.400 peak  5023 weight  0.10000E+01 volume  0.11500E+00 ppm1      3.469 ppm2      2.928
 ASSI { 5250}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD11")
      3.300     1.400     1.400 peak  5250 weight  0.10000E+01 volume  0.72200E+00 ppm1      3.696 ppm2      0.912
 OR { 5250}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 5250}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD12")
 OR { 5250}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD21")
 OR { 5250}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD13")
 ASSI { 5590}
     (segid "    " and resid "101 " and name "HA  ")
     (segid "    " and resid "102 " and name "HB1 ")
      3.300     1.400     1.400 peak  5590 weight  0.10000E+01 volume  0.23500E+00 ppm1      4.949 ppm2      1.604
 ASSI { 6748}
     (segid "    " and resid "34  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HE1 ")
      3.200     1.300     1.300 peak  6748 weight  0.10000E+01 volume  0.39400E+00 ppm1      3.781 ppm2      6.935
 ASSI { 4368}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "98  " and name "HG21")
      3.700     1.700     1.700 peak  4368 weight  0.10000E+01 volume  0.39500E+00 ppm1      5.083 ppm2      0.895
 OR { 4368}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "98  " and name "HG23")
 OR { 4368}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "98  " and name "HG22")
 ASSI { 4540}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "91  " and name "HG  ")
      2.400     0.700     0.700 peak  4540 weight  0.10000E+01 volume  0.17650E+01 ppm1      4.930 ppm2      1.459
 ASSI { 5140}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "89  " and name "HE22")
      3.200     1.300     1.300 peak  5140 weight  0.10000E+01 volume  0.77900E+00 ppm1      4.413 ppm2      6.782
 ASSI { 4715}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB1 ")
      2.700     0.900     0.900 peak  4715 weight  0.10000E+01 volume  0.90600E+00 ppm1      5.398 ppm2      3.775
 ASSI { 4716}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "79  " and name "HB2 ")
      3.400     1.400     1.400 peak  4716 weight  0.10000E+01 volume  0.19300E+00 ppm1      5.396 ppm2      1.998
 ASSI { 5619}
     (segid "    " and resid "106 " and name "HA  ")
     (segid "    " and resid "106 " and name "HD2 ")
      2.800     1.000     1.000 peak  5619 weight  0.10000E+01 volume  0.19940E+01 ppm1      4.494 ppm2      6.832
 ASSI { 4138}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HD2 ")
      2.800     1.000     1.000 peak  4138 weight  0.10000E+01 volume  0.15910E+01 ppm1      4.364 ppm2      7.018
 OR { 4138}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HD1 ")
 ASSI { 4815}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG23")
      3.800     1.800     1.800 peak  4815 weight  0.10000E+01 volume  0.33900E+00 ppm1      3.234 ppm2      0.699
 OR { 4815}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 4815}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG21")
 ASSI { 4905}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB1 ")
      2.700     0.900     0.900 peak  4905 weight  0.10000E+01 volume  0.92200E+00 ppm1      4.477 ppm2      3.032
 ASSI { 4758}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG23")
      2.600     0.800     0.800 peak  4758 weight  0.10000E+01 volume  0.30080E+01 ppm1      4.917 ppm2      1.236
 OR { 4758}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG22")
 OR { 4758}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG21")
 ASSI { 4545}
     (segid "    " and resid "23  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG23")
      2.700     0.900     0.900 peak  4545 weight  0.10000E+01 volume  0.12070E+01 ppm1      3.809 ppm2      0.777
 OR { 4545}
     (segid "    " and resid "23  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 4545}
     (segid "    " and resid "23  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 4545}
     (segid "    " and resid "23  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 4545}
     (segid "    " and resid "23  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 4545}
     (segid "    " and resid "23  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG22")
 ASSI { 5127}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "37  " and name "HB2 ")
      3.300     1.400     1.400 peak  5127 weight  0.10000E+01 volume  0.34800E+00 ppm1      6.669 ppm2      1.586
 OR { 5127}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 5121}
     (segid "    " and resid "106 " and name "HE1 ")
     (segid "    " and resid "106 " and name "HB1 ")
      2.900     1.100     1.100 peak  5121 weight  0.10000E+01 volume  0.81000E+00 ppm1      6.682 ppm2      3.042
 OR { 5121}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "106 " and name "HB2 ")
 OR { 5121}
     (segid "    " and resid "106 " and name "HE1 ")
     (segid "    " and resid "106 " and name "HB2 ")
 OR { 5121}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "106 " and name "HB1 ")
 ASSI { 4791}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "80  " and name "HA  ")
      4.700     2.800     1.300 peak  4791 weight  0.10000E+01 volume  0.10000E+00 ppm1      0.297 ppm2      5.264
 OR { 4791}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "80  " and name "HA  ")
 OR { 4791}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "80  " and name "HA  ")
 ASSI { 4795}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "31  " and name "HB1 ")
      3.500     1.500     1.500 peak  4795 weight  0.10000E+01 volume  0.21800E+00 ppm1      0.293 ppm2      2.660
 OR { 4795}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 4795}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 6249}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "105 " and name "HB1 ")
      2.900     1.100     1.100 peak  6249 weight  0.10000E+01 volume  0.73200E+00 ppm1      7.070 ppm2      2.908
 OR { 6249}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "105 " and name "HB1 ")
 ASSI { 5268}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HB2 ")
      3.400     1.400     1.400 peak  5268 weight  0.10000E+01 volume  0.32200E+00 ppm1      6.925 ppm2      1.444
 ASSI { 4528}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "50  " and name "HA  ")
      3.800     1.800     1.800 peak  4528 weight  0.10000E+01 volume  0.34000E+00 ppm1      0.518 ppm2      4.505
 OR { 4528}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 4528}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 5393}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "81  " and name "HG2 ")
      2.800     1.000     1.000 peak  5393 weight  0.10000E+01 volume  0.79700E+00 ppm1      0.675 ppm2      1.848
 OR { 5393}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "81  " and name "HB2 ")
 OR { 5393}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "81  " and name "HG2 ")
 OR { 5393}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "81  " and name "HB2 ")
 OR { 5393}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "81  " and name "HG2 ")
 ASSI { 4520}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "90  " and name "HA  ")
      3.400     1.400     1.400 peak  4520 weight  0.10000E+01 volume  0.41700E+00 ppm1      0.778 ppm2      4.020
 OR { 4520}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "90  " and name "HB  ")
 OR { 4520}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "90  " and name "HA  ")
 OR { 4520}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "90  " and name "HA  ")
 OR { 4520}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "90  " and name "HB  ")
 ASSI { 6537}
     (segid "    " and resid "24  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HA  ")
      4.600     2.600     1.400 peak  6537 weight  0.10000E+01 volume  0.10900E+00 ppm1      1.839 ppm2      4.519
 OR { 6537}
     (segid "    " and resid "24  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 6537}
     (segid "    " and resid "24  " and name "HE3 ")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 7177}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD2 ")
      4.300     2.300     1.700 peak  7177 weight  0.10000E+01 volume  0.19400E+00 ppm1      1.271 ppm2      6.843
 OR { 7177}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "69  " and name "HD2 ")
 OR { 7177}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD1 ")
 OR { 7177}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD1 ")
 OR { 7177}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "69  " and name "HD1 ")
 ASSI { 4600}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "46  " and name "HA  ")
      3.400     1.400     1.400 peak  4600 weight  0.10000E+01 volume  0.64700E+00 ppm1      0.836 ppm2      4.519
 OR { 4600}
     (segid "    " and resid "26  " and name "HG22")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 4600}
     (segid "    " and resid "26  " and name "HG23")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 4691}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HE1 ")
      3.700     1.700     1.700 peak  4691 weight  0.10000E+01 volume  0.47800E+00 ppm1      1.318 ppm2      6.934
 OR { 4691}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "31  " and name "HE1 ")
 OR { 4691}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HE1 ")
 ASSI { 5567}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "13  " and name "HB1 ")
      3.000     1.100     1.100 peak  5567 weight  0.10000E+01 volume  0.64400E+00 ppm1      0.904 ppm2      4.090
 OR { 5567}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 5567}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "13  " and name "HB1 ")
 ASSI { 5572}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "16  " and name "HG1 ")
      4.500     2.500     1.500 peak  5572 weight  0.10000E+01 volume  0.48000E-01 ppm1      0.903 ppm2      2.458
 OR { 5572}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "16  " and name "HG2 ")
 OR { 5572}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "16  " and name "HG1 ")
 OR { 5572}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "16  " and name "HG1 ")
 ASSI { 4856}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "46  " and name "HA  ")
      2.600     0.800     0.800 peak  4856 weight  0.10000E+01 volume  0.30170E+01 ppm1      0.692 ppm2      4.513
 OR { 4856}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 4856}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 4636}
     (segid "    " and resid "49  " and name "HG11")
     (segid "    " and resid "61  " and name "HB1 ")
      2.900     1.100     1.100 peak  4636 weight  0.10000E+01 volume  0.67200E+00 ppm1      0.787 ppm2      3.175
 OR { 4636}
     (segid "    " and resid "49  " and name "HG12")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 4636}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "61  " and name "HB1 ")
 ASSI { 5461}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "24  " and name "HG1 ")
      2.700     0.900     0.900 peak  5461 weight  0.10000E+01 volume  0.97500E+00 ppm1      0.785 ppm2      2.189
 OR { 5461}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "24  " and name "HG1 ")
 OR { 5461}
     (segid "    " and resid "91  " and name "HD13")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 4576}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HE1 ")
      4.400     2.400     1.600 peak  4576 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.190 ppm2      6.955
 OR { 4576}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "80  " and name "HE1 ")
 OR { 4576}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 5242}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "63  " and name "HA1 ")
      4.100     2.100     1.900 peak  5242 weight  0.10000E+01 volume  0.17800E+00 ppm1      0.314 ppm2      5.099
 OR { 5242}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "63  " and name "HA1 ")
 OR { 5242}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "63  " and name "HA1 ")
 ASSI { 7606}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HG13")
      3.500     1.500     1.500 peak  7606 weight  0.10000E+01 volume  0.21700E+00 ppm1     -0.806 ppm2      0.691
 OR { 7606}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 7606}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HG12")
 ASSI { 4744}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "47  " and name "HG13")
      3.100     1.200     1.200 peak  4744 weight  0.10000E+01 volume  0.15470E+01 ppm1      0.973 ppm2      0.479
 OR { 4744}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "47  " and name "HG12")
 OR { 4744}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "47  " and name "HG11")
 OR { 4744}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "47  " and name "HG13")
 OR { 4744}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "47  " and name "HG13")
 OR { 4744}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "47  " and name "HG12")
 OR { 4744}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "47  " and name "HG11")
 ASSI { 4354}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "54  " and name "HE2 ")
      3.000     1.100     1.100 peak  4354 weight  0.10000E+01 volume  0.55900E+00 ppm1      0.797 ppm2      2.872
 OR { 4354}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "54  " and name "HE1 ")
 OR { 4354}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "54  " and name "HE2 ")
 OR { 4354}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "54  " and name "HE1 ")
 OR { 4354}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "54  " and name "HE2 ")
 OR { 4354}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "54  " and name "HE1 ")
 ASSI { 4745}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "41  " and name "HD12")
      3.100     1.200     1.200 peak  4745 weight  0.10000E+01 volume  0.16110E+01 ppm1      0.973 ppm2      0.296
 OR { 4745}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "41  " and name "HD12")
 OR { 4745}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "41  " and name "HD13")
 OR { 4745}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "41  " and name "HD12")
 OR { 4745}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "41  " and name "HD13")
 OR { 4745}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "41  " and name "HD13")
 ASSI { 4997}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HA  ")
      3.200     1.300     1.300 peak  4997 weight  0.10000E+01 volume  0.31600E+00 ppm1      1.361 ppm2      4.911
 OR { 4997}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HA  ")
 ASSI { 5002}
     (segid "    " and resid "92  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HD2 ")
      2.600     0.800     0.800 peak  5002 weight  0.10000E+01 volume  0.42300E+00 ppm1      1.359 ppm2      3.578
 OR { 5002}
     (segid "    " and resid "92  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HD2 ")
 ASSI { 5236}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "77  " and name "HA  ")
      3.200     1.300     1.300 peak  5236 weight  0.10000E+01 volume  0.97400E+00 ppm1      0.526 ppm2      4.693
 OR { 5236}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "77  " and name "HA  ")
 OR { 5236}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "77  " and name "HA  ")
 ASSI { 5237}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "64  " and name "HB2 ")
      4.100     2.100     1.900 peak  5237 weight  0.10000E+01 volume  0.93000E-01 ppm1      0.529 ppm2      3.791
 OR { 5237}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 5237}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 5237}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 5237}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 4291}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "105 " and name "HE2 ")
      3.700     1.700     1.700 peak  4291 weight  0.10000E+01 volume  0.46900E+00 ppm1      1.718 ppm2      6.914
 OR { 4291}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "105 " and name "HE1 ")
 OR { 4291}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "105 " and name "HE2 ")
 OR { 4291}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "105 " and name "HE2 ")
 ASSI { 4987}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "53  " and name "HA  ")
      3.700     1.700     1.700 peak  4987 weight  0.10000E+01 volume  0.34200E+00 ppm1      0.789 ppm2      4.327
 OR { 4987}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "53  " and name "HA  ")
 OR { 4987}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "53  " and name "HA  ")
 ASSI { 4989}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "60  " and name "HB1 ")
      2.700     0.900     0.900 peak  4989 weight  0.10000E+01 volume  0.88400E+00 ppm1      0.791 ppm2      3.115
 OR { 4989}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "60  " and name "HB1 ")
 OR { 4989}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "60  " and name "HB1 ")
 ASSI { 5365}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "81  " and name "HD2 ")
      2.700     0.900     0.900 peak  5365 weight  0.10000E+01 volume  0.31500E+00 ppm1      1.633 ppm2      2.697
 ASSI { 5371}
     (segid "    " and resid "84  " and name "HG12")
     (segid "    " and resid "84  " and name "HB  ")
      2.300     0.700     0.700 peak  5371 weight  0.10000E+01 volume  0.83200E+00 ppm1      1.197 ppm2      2.134
 ASSI { 4820}
     (segid "    " and resid "43  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HA  ")
      2.900     1.100     1.100 peak  4820 weight  0.10000E+01 volume  0.50000E+00 ppm1      1.432 ppm2      4.544
 ASSI { 7553}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HE  ")
      3.000     1.100     1.100 peak  7553 weight  0.10000E+01 volume  0.20200E+00 ppm1      1.805 ppm2      6.933
 ASSI { 5364}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HE  ")
      2.600     0.800     0.800 peak  5364 weight  0.10000E+01 volume  0.47600E+00 ppm1      1.627 ppm2      6.937
 ASSI {  856}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "106 " and name "HE2 ")
      3.800     1.800     1.800 peak   856 weight  0.10000E+01 volume  0.15600E+00 ppm1      2.026 ppm2      6.694
 OR {  856}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "106 " and name "HD2 ")
 ASSI { 5484}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "92  " and name "HA  ")
      3.300     1.400     1.400 peak  5484 weight  0.10000E+01 volume  0.24200E+00 ppm1      1.940 ppm2      4.612
 OR { 5484}
     (segid "    " and resid "93  " and name "HG1 ")
     (segid "    " and resid "92  " and name "HA  ")
 ASSI { 4514}
     (segid "    " and resid "22  " and name "HG12")
     (segid "    " and resid "22  " and name "HB  ")
      2.400     0.700     0.700 peak  4514 weight  0.10000E+01 volume  0.84300E+00 ppm1      0.592 ppm2      1.258
 ASSI { 1400}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "105 " and name "HD2 ")
      3.300     1.400     1.400 peak  1400 weight  0.10000E+01 volume  0.31400E+00 ppm1      1.593 ppm2      7.076
 OR { 1400}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "105 " and name "HD1 ")
 OR { 1400}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "105 " and name "HD1 ")
 ASSI { 5228}
     (segid "    " and resid "81  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD13")
      3.200     1.300     1.300 peak  5228 weight  0.10000E+01 volume  0.38500E+00 ppm1      1.841 ppm2      0.673
 OR { 5228}
     (segid "    " and resid "81  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 5228}
     (segid "    " and resid "81  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 5445}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HA  ")
      2.200     0.600     0.600 peak  5445 weight  0.10000E+01 volume  0.25060E+01 ppm1      1.921 ppm2      4.534
 OR { 5445}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HA  ")
 ASSI { 5446}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG21")
      2.700     0.900     0.900 peak  5446 weight  0.10000E+01 volume  0.11380E+01 ppm1      1.921 ppm2      0.775
 OR { 5446}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 5446}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 5446}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HG21")
 ASSI { 4230}
     (segid "    " and resid "5   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HD2 ")
      3.400     1.400     1.400 peak  4230 weight  0.10000E+01 volume  0.88000E-01 ppm1      2.219 ppm2      3.285
 ASSI { 4232}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HE22")
      3.400     1.400     1.400 peak  4232 weight  0.10000E+01 volume  0.20300E+00 ppm1      2.033 ppm2      6.922
 OR { 4232}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HE22")
 ASSI { 4235}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "24  " and name "HA  ")
      2.600     0.800     0.800 peak  4235 weight  0.10000E+01 volume  0.10910E+01 ppm1      2.194 ppm2      4.913
 ASSI { 4672}
     (segid "    " and resid "32  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HA  ")
      2.800     1.000     1.000 peak  4672 weight  0.10000E+01 volume  0.74000E+00 ppm1      2.472 ppm2      4.506
 ASSI { 4206}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD1 ")
      2.600     0.800     0.800 peak  4206 weight  0.10000E+01 volume  0.42500E+00 ppm1      1.860 ppm2      3.580
 ASSI { 4850}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG13")
      2.200     0.600     0.600 peak  4850 weight  0.10000E+01 volume  0.33970E+01 ppm1      1.886 ppm2      0.697
 OR { 4850}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 4850}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG11")
 ASSI { 6429}
     (segid "    " and resid "17  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      3.100     1.200     1.200 peak  6429 weight  0.10000E+01 volume  0.15700E+00 ppm1      2.373 ppm2      3.521
 OR { 6429}
     (segid "    " and resid "17  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 4429}
     (segid "    " and resid "17  " and name "HG1 ")
     (segid "    " and resid "17  " and name "HA  ")
      2.400     0.700     0.700 peak  4429 weight  0.10000E+01 volume  0.17930E+01 ppm1      2.379 ppm2      4.384
 OR { 4429}
     (segid "    " and resid "17  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HA  ")
 ASSI { 4841}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HG22")
      3.300     1.400     1.400 peak  4841 weight  0.10000E+01 volume  0.29700E+00 ppm1      2.398 ppm2      0.697
 OR { 4841}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 4841}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 4841}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 4841}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 4841}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HG21")
 ASSI { 4840}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "65  " and name "HG23")
      3.200     1.300     1.300 peak  4840 weight  0.10000E+01 volume  0.41200E+00 ppm1      2.390 ppm2      1.039
 OR { 4840}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 4840}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 4840}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 4840}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "65  " and name "HG22")
 OR { 4840}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "65  " and name "HG22")
 ASSI { 4554}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD22")
      2.600     0.800     0.800 peak  4554 weight  0.10000E+01 volume  0.12230E+01 ppm1      1.926 ppm2      0.730
 OR { 4554}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD11")
 OR { 4554}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 4554}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD12")
 ASSI { 4959}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HG  ")
      2.300     0.700     0.700 peak  4959 weight  0.10000E+01 volume  0.11180E+01 ppm1      2.793 ppm2      1.729
 ASSI { 3753}
     (segid "    " and resid "79  " and name "HB1 ")
     (segid "    " and resid "79  " and name "HB2 ")
      2.100     0.600     0.600 peak  3753 weight  0.10000E+01 volume  0.14520E+01 ppm1      2.684 ppm2      2.006
 ASSI { 4654}
     (segid "    " and resid "30  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HA  ")
      3.000     1.100     1.100 peak  4654 weight  0.10000E+01 volume  0.41000E+00 ppm1      2.670 ppm2      5.267
 OR { 4654}
     (segid "    " and resid "30  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 4662}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG23")
      2.600     0.800     0.800 peak  4662 weight  0.10000E+01 volume  0.12490E+01 ppm1      2.675 ppm2      0.886
 OR { 4662}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 4662}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 4662}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 4662}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "100 " and name "HG21")
 ASSI { 5425}
     (segid "    " and resid "86  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HD21")
      2.700     0.900     0.900 peak  5425 weight  0.10000E+01 volume  0.10690E+01 ppm1      3.262 ppm2      0.790
 OR { 5425}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 5425}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD11")
 OR { 5425}
     (segid "    " and resid "86  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HD13")
 OR { 5425}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 5425}
     (segid "    " and resid "86  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HD11")
 OR { 5425}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD13")
 OR { 5425}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD22")
 ASSI { 4186}
     (segid "    " and resid "2   " and name "HA1 ")
     (segid "    " and resid "3   " and name "HG1 ")
      3.300     1.400     1.400 peak  4186 weight  0.10000E+01 volume  0.34300E+00 ppm1      4.377 ppm2      2.049
 OR { 4186}
     (segid "    " and resid "2   " and name "HA1 ")
     (segid "    " and resid "3   " and name "HB1 ")
 ASSI { 5249}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HG  ")
      2.800     1.000     1.000 peak  5249 weight  0.10000E+01 volume  0.57700E+00 ppm1      3.699 ppm2      1.580
 OR { 5249}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 4824}
     (segid "    " and resid "44  " and name "HA2 ")
     (segid "    " and resid "26  " and name "HG22")
      3.000     1.100     1.100 peak  4824 weight  0.10000E+01 volume  0.12180E+01 ppm1      3.489 ppm2      0.844
 OR { 4824}
     (segid "    " and resid "44  " and name "HA2 ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 4824}
     (segid "    " and resid "44  " and name "HA2 ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 5027}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "8   " and name "HB3 ")
      2.900     1.100     1.100 peak  5027 weight  0.10000E+01 volume  0.11370E+01 ppm1      3.539 ppm2      1.715
 OR { 5027}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "8   " and name "HB1 ")
 OR { 5027}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "8   " and name "HB2 ")
 ASSI { 5181}
     (segid "    " and resid "63  " and name "HA1 ")
     (segid "    " and resid "50  " and name "HD1 ")
      3.200     1.300     1.300 peak  5181 weight  0.10000E+01 volume  0.92200E+00 ppm1      5.101 ppm2      7.131
 ASSI { 5305}
     (segid "    " and resid "21  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HE2 ")
      3.200     1.300     1.300 peak  5305 weight  0.10000E+01 volume  0.39500E+00 ppm1      3.392 ppm2      7.113
 OR { 5305}
     (segid "    " and resid "21  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HZ  ")
 ASSI { 4686}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "34  " and name "HD1 ")
      2.300     0.700     0.700 peak  4686 weight  0.10000E+01 volume  0.19310E+01 ppm1      4.036 ppm2      3.784
 ASSI { 4220}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HB1 ")
      2.700     0.900     0.900 peak  4220 weight  0.10000E+01 volume  0.84800E+00 ppm1      5.052 ppm2      1.940
 ASSI { 4611}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "41  " and name "HD13")
      4.000     2.000     2.000 peak  4611 weight  0.10000E+01 volume  0.25900E+00 ppm1      4.563 ppm2      0.310
 OR { 4611}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "41  " and name "HD11")
 OR { 4611}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "41  " and name "HD12")
 ASSI { 4448}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "21  " and name "HG2 ")
      3.200     1.300     1.300 peak  4448 weight  0.10000E+01 volume  0.28000E+00 ppm1      4.980 ppm2      1.400
 ASSI { 4446}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "21  " and name "HD2 ")
      2.300     0.700     0.700 peak  4446 weight  0.10000E+01 volume  0.22870E+01 ppm1      4.987 ppm2      3.354
 ASSI { 4343}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "12  " and name "HB2 ")
      2.600     0.800     0.800 peak  4343 weight  0.10000E+01 volume  0.11750E+01 ppm1      5.266 ppm2      1.509
 ASSI { 4329}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "53  " and name "HD11")
      3.000     1.100     1.100 peak  4329 weight  0.10000E+01 volume  0.14250E+01 ppm1      4.903 ppm2      0.903
 OR { 4329}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 4329}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 4957}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD12")
      2.400     0.700     0.700 peak  4957 weight  0.10000E+01 volume  0.47130E+01 ppm1      4.366 ppm2      0.786
 OR { 4957}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 5578}
     (segid "    " and resid "99  " and name "HA  ")
     (segid "    " and resid "99  " and name "HB1 ")
      2.300     0.700     0.700 peak  5578 weight  0.10000E+01 volume  0.19620E+01 ppm1      4.595 ppm2      1.950
 ASSI { 5601}
     (segid "    " and resid "103 " and name "HA  ")
     (segid "    " and resid "103 " and name "HB1 ")
      2.300     0.700     0.700 peak  5601 weight  0.10000E+01 volume  0.22550E+01 ppm1      4.360 ppm2      3.084
 ASSI { 5400}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB2 ")
      3.400     1.400     1.400 peak  5400 weight  0.10000E+01 volume  0.54700E+00 ppm1      5.340 ppm2      1.395
 OR { 5400}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 5400}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB3 ")
 ASSI { 4665}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "84  " and name "HD11")
      3.800     1.800     1.800 peak  4665 weight  0.10000E+01 volume  0.28500E+00 ppm1      4.602 ppm2      0.682
 OR { 4665}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 4665}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 5555}
     (segid "    " and resid "98  " and name "HA  ")
     (segid "    " and resid "98  " and name "HB  ")
      2.600     0.800     0.800 peak  5555 weight  0.10000E+01 volume  0.10820E+01 ppm1      4.428 ppm2      1.911
 ASSI { 6440}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HB2 ")
      2.600     0.800     0.800 peak  6440 weight  0.10000E+01 volume  0.44000E+00 ppm1      3.770 ppm2      1.840
 ASSI { 6442}
     (segid "    " and resid "23  " and name "HB1 ")
     (segid "    " and resid "90  " and name "HG23")
      3.200     1.300     1.300 peak  6442 weight  0.10000E+01 volume  0.34900E+00 ppm1      3.806 ppm2      1.042
 OR { 6442}
     (segid "    " and resid "23  " and name "HB2 ")
     (segid "    " and resid "90  " and name "HG23")
 OR { 6442}
     (segid "    " and resid "23  " and name "HB1 ")
     (segid "    " and resid "90  " and name "HG21")
 OR { 6442}
     (segid "    " and resid "23  " and name "HB2 ")
     (segid "    " and resid "90  " and name "HG21")
 OR { 6442}
     (segid "    " and resid "23  " and name "HB2 ")
     (segid "    " and resid "90  " and name "HG22")
 ASSI { 5198}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HB2 ")
      2.500     0.800     0.800 peak  5198 weight  0.10000E+01 volume  0.83500E+00 ppm1      3.832 ppm2      1.274
 OR { 5198}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 5198}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 5198}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 5198}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 4937}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HD12")
      3.500     1.500     1.500 peak  4937 weight  0.10000E+01 volume  0.18600E+00 ppm1      3.955 ppm2      0.525
 OR { 4937}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HD11")
 OR { 4937}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 4942}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD13")
      3.300     1.400     1.400 peak  4942 weight  0.10000E+01 volume  0.30100E+00 ppm1      3.615 ppm2      0.918
 OR { 4942}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 4942}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 4729}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HB2 ")
      2.800     1.000     1.000 peak  4729 weight  0.10000E+01 volume  0.95300E+00 ppm1      7.349 ppm2      3.142
 OR { 4729}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 3722}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HB1 ")
      2.600     0.800     0.800 peak  3722 weight  0.10000E+01 volume  0.13140E+01 ppm1      7.401 ppm2      2.653
 ASSI { 3813}
     (segid "    " and resid "42  " and name "HE1 ")
     (segid "    " and resid "40  " and name "HG21")
      4.200     2.200     1.800 peak  3813 weight  0.10000E+01 volume  0.24000E+00 ppm1      8.554 ppm2      1.237
 OR { 3813}
     (segid "    " and resid "42  " and name "HE1 ")
     (segid "    " and resid "40  " and name "HG23")
 OR { 3813}
     (segid "    " and resid "42  " and name "HE1 ")
     (segid "    " and resid "40  " and name "HG22")
 ASSI { 4535}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "22  " and name "HB  ")
      2.400     0.700     0.700 peak  4535 weight  0.10000E+01 volume  0.26980E+01 ppm1      0.518 ppm2      1.267
 OR { 4535}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 4535}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 5387}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "84  " and name "HA  ")
      3.000     1.100     1.100 peak  5387 weight  0.10000E+01 volume  0.13250E+01 ppm1      0.674 ppm2      4.340
 OR { 5387}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "84  " and name "HA  ")
 OR { 5387}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "84  " and name "HA  ")
 ASSI { 5385}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "80  " and name "HD1 ")
      3.500     1.500     1.500 peak  5385 weight  0.10000E+01 volume  0.79500E+00 ppm1      0.670 ppm2      6.937
 OR { 5385}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "80  " and name "HD1 ")
 OR { 5385}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "80  " and name "HD1 ")
 ASSI { 4383}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HA  ")
      2.800     1.000     1.000 peak  4383 weight  0.10000E+01 volume  0.20450E+01 ppm1      1.251 ppm2      4.352
 OR { 4383}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 4383}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HA  ")
 ASSI { 4615}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "43  " and name "HA  ")
      2.800     1.000     1.000 peak  4615 weight  0.10000E+01 volume  0.17350E+01 ppm1      1.396 ppm2      3.230
 OR { 4615}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 4697}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HB1 ")
      2.500     0.800     0.800 peak  4697 weight  0.10000E+01 volume  0.17270E+01 ppm1      1.320 ppm2      3.785
 OR { 4697}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 4697}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 4695}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HA  ")
      4.200     2.200     1.800 peak  4695 weight  0.10000E+01 volume  0.17400E+00 ppm1      1.317 ppm2      4.507
 OR { 4695}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HA  ")
 OR { 4695}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 7534}
     (segid "    " and resid "47  " and name "HG12")
     (segid "    " and resid "80  " and name "HZ  ")
      3.200     1.300     1.300 peak  7534 weight  0.10000E+01 volume  0.12210E+01 ppm1      0.481 ppm2      7.147
 OR { 7534}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "80  " and name "HZ  ")
 OR { 7534}
     (segid "    " and resid "47  " and name "HG13")
     (segid "    " and resid "80  " and name "HZ  ")
 ASSI { 5569}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "13  " and name "HB2 ")
      3.000     1.100     1.100 peak  5569 weight  0.10000E+01 volume  0.58100E+00 ppm1      0.904 ppm2      3.371
 OR { 5569}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "13  " and name "HB2 ")
 OR { 5569}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "13  " and name "HB2 ")
 ASSI { 4598}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "26  " and name "HB  ")
      2.200     0.600     0.600 peak  4598 weight  0.10000E+01 volume  0.40160E+01 ppm1      0.867 ppm2      1.809
 OR { 4598}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "26  " and name "HB  ")
 OR { 4598}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "26  " and name "HB  ")
 ASSI { 4899}
     (segid "    " and resid "49  " and name "HG11")
     (segid "    " and resid "80  " and name "HE1 ")
      4.400     2.400     1.600 peak  4899 weight  0.10000E+01 volume  0.19200E+00 ppm1      0.687 ppm2      6.975
 OR { 4899}
     (segid "    " and resid "49  " and name "HG12")
     (segid "    " and resid "80  " and name "HE1 ")
 OR { 4899}
     (segid "    " and resid "49  " and name "HG12")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 4899}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "80  " and name "HE1 ")
 OR { 4899}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "80  " and name "HE2 ")
 ASSI { 5057}
     (segid "    " and resid "102 " and name "HG1 ")
     (segid "    " and resid "103 " and name "HN  ")
      3.500     1.500     1.500 peak  5057 weight  0.10000E+01 volume  0.18600E+00 ppm1      0.654 ppm2      7.388
 ASSI { 4582}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE2 ")
      2.600     0.800     0.800 peak  4582 weight  0.10000E+01 volume  0.53000E+00 ppm1      1.189 ppm2      2.500
 OR { 4582}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 4746}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "80  " and name "HD2 ")
      3.500     1.500     1.500 peak  4746 weight  0.10000E+01 volume  0.65100E+00 ppm1      0.896 ppm2      6.946
 OR { 4746}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "80  " and name "HD2 ")
 OR { 4746}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "80  " and name "HD2 ")
 OR { 4746}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "80  " and name "HE2 ")
 ASSI { 5245}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "50  " and name "HB1 ")
      3.300     1.400     1.400 peak  5245 weight  0.10000E+01 volume  0.36100E+00 ppm1      0.316 ppm2      3.047
 OR { 5245}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 5245}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 5056}
     (segid "    " and resid "59  " and name "HD12")
     (segid "    " and resid "59  " and name "HA  ")
      3.200     1.300     1.300 peak  5056 weight  0.10000E+01 volume  0.75900E+00 ppm1      0.734 ppm2      3.970
 OR { 5056}
     (segid "    " and resid "59  " and name "HD11")
     (segid "    " and resid "59  " and name "HA  ")
 OR { 5056}
     (segid "    " and resid "59  " and name "HD13")
     (segid "    " and resid "59  " and name "HA  ")
 ASSI { 4284}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "79  " and name "HB1 ")
      3.400     1.400     1.400 peak  4284 weight  0.10000E+01 volume  0.29100E+00 ppm1     -0.066 ppm2      2.699
 OR { 4284}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "79  " and name "HB1 ")
 OR { 4284}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "79  " and name "HB1 ")
 ASSI { 4741}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "78  " and name "HA2 ")
      3.600     1.600     1.600 peak  4741 weight  0.10000E+01 volume  0.30200E+00 ppm1      0.971 ppm2      3.700
 OR { 4741}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "78  " and name "HA2 ")
 OR { 4741}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "78  " and name "HA2 ")
 ASSI { 5043}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HA  ")
      2.400     0.700     0.700 peak  5043 weight  0.10000E+01 volume  0.44990E+01 ppm1      1.723 ppm2      4.294
 OR { 5043}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 5043}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HA  ")
 ASSI { 4270}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "7   " and name "HA  ")
      3.100     1.200     1.200 peak  4270 weight  0.10000E+01 volume  0.40500E+00 ppm1      0.863 ppm2      3.864
 ASSI { 5373}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD13")
      2.500     0.800     0.800 peak  5373 weight  0.10000E+01 volume  0.14570E+01 ppm1      1.195 ppm2      0.799
 OR { 5373}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD12")
 OR { 5373}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD11")
 OR { 5373}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 5366}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "85  " and name "HG11")
      2.800     1.000     1.000 peak  5366 weight  0.10000E+01 volume  0.91600E+00 ppm1      1.629 ppm2      0.500
 OR { 5366}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "85  " and name "HG12")
 OR { 5366}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 4821}
     (segid "    " and resid "43  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HA  ")
      3.000     1.100     1.100 peak  4821 weight  0.10000E+01 volume  0.40900E+00 ppm1      1.315 ppm2      4.543
 ASSI { 5052}
     (segid "    " and resid "59  " and name "HG  ")
     (segid "    " and resid "59  " and name "HA  ")
      2.900     1.100     1.100 peak  5052 weight  0.10000E+01 volume  0.52700E+00 ppm1      1.285 ppm2      3.975
 ASSI { 4348}
     (segid "    " and resid "12  " and name "HG  ")
     (segid "    " and resid "12  " and name "HA  ")
      2.900     1.100     1.100 peak  4348 weight  0.10000E+01 volume  0.53100E+00 ppm1      1.324 ppm2      5.264
 ASSI { 5053}
     (segid "    " and resid "77  " and name "HG  ")
     (segid "    " and resid "77  " and name "HA  ")
      2.600     0.800     0.800 peak  5053 weight  0.10000E+01 volume  0.10190E+01 ppm1      1.288 ppm2      4.691
 ASSI { 5458}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "47  " and name "HG22")
      3.000     1.100     1.100 peak  5458 weight  0.10000E+01 volume  0.53300E+00 ppm1      1.447 ppm2      0.488
 OR { 5458}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "47  " and name "HG23")
 OR { 5458}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "47  " and name "HG21")
 ASSI { 5292}
     (segid "    " and resid "81  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HE2 ")
      3.000     1.100     1.100 peak  5292 weight  0.10000E+01 volume  0.55600E+00 ppm1      1.893 ppm2      6.946
 OR { 5292}
     (segid "    " and resid "81  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HE2 ")
 ASSI { 4407}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG11")
      2.700     0.900     0.900 peak  4407 weight  0.10000E+01 volume  0.98500E+00 ppm1      2.110 ppm2      0.705
 OR { 4407}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 4407}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG12")
 OR { 4407}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 4407}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "96  " and name "HG12")
 ASSI { 4428}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      2.600     0.800     0.800 peak  4428 weight  0.10000E+01 volume  0.57900E+00 ppm1      1.836 ppm2      3.518
 ASSI { 5010}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB1 ")
      2.300     0.700     0.700 peak  5010 weight  0.10000E+01 volume  0.80200E+00 ppm1      1.451 ppm2      1.953
 ASSI { 5468}
     (segid "    " and resid "92  " and name "HD2 ")
     (segid "    " and resid "92  " and name "HA  ")
      3.000     1.100     1.100 peak  5468 weight  0.10000E+01 volume  0.47700E+00 ppm1      1.489 ppm2      4.619
 OR { 5468}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HA  ")
 ASSI { 5150}
     (segid "    " and resid "66  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HA  ")
      2.500     0.800     0.800 peak  5150 weight  0.10000E+01 volume  0.13860E+01 ppm1      1.902 ppm2      4.421
 ASSI { 5227}
     (segid "    " and resid "81  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HG22")
      3.000     1.100     1.100 peak  5227 weight  0.10000E+01 volume  0.52500E+00 ppm1      1.829 ppm2      0.790
 OR { 5227}
     (segid "    " and resid "81  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HG23")
 ASSI { 4569}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "24  " and name "HA  ")
      2.500     0.800     0.800 peak  4569 weight  0.10000E+01 volume  0.12430E+01 ppm1      2.034 ppm2      4.914
 ASSI { 4198}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HA  ")
      2.100     0.600     0.600 peak  4198 weight  0.10000E+01 volume  0.34070E+01 ppm1      2.131 ppm2      4.241
 ASSI { 1143}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "10  " and name "HA  ")
      3.900     1.900     1.900 peak  1143 weight  0.10000E+01 volume  0.98000E-01 ppm1      1.945 ppm2      5.220
 ASSI { 4117}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HZ  ")
      3.800     1.800     1.800 peak  4117 weight  0.10000E+01 volume  0.14300E+00 ppm1      3.257 ppm2      7.136
 ASSI { 4548}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HA  ")
      2.500     0.800     0.800 peak  4548 weight  0.10000E+01 volume  0.14390E+01 ppm1      1.937 ppm2      4.910
 ASSI { 4322}
     (segid "    " and resid "92  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HA  ")
      2.500     0.800     0.800 peak  4322 weight  0.10000E+01 volume  0.13500E+01 ppm1      1.812 ppm2      4.602
 ASSI { 4331}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD13")
      2.500     0.800     0.800 peak  4331 weight  0.10000E+01 volume  0.15180E+01 ppm1      1.541 ppm2      0.910
 OR { 4331}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 4331}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 5354}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD13")
      3.200     1.300     1.300 peak  5354 weight  0.10000E+01 volume  0.32700E+00 ppm1      2.502 ppm2      0.679
 OR { 5354}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 5354}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD11")
 ASSI { 5347}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "85  " and name "HG11")
      3.100     1.200     1.200 peak  5347 weight  0.10000E+01 volume  0.45800E+00 ppm1      2.136 ppm2      0.499
 OR { 5347}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 5347}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 5624}
     (segid "    " and resid "106 " and name "HB2 ")
     (segid "    " and resid "106 " and name "HA  ")
      2.700     0.900     0.900 peak  5624 weight  0.10000E+01 volume  0.88400E+00 ppm1      3.067 ppm2      4.505
 OR { 5624}
     (segid "    " and resid "106 " and name "HB1 ")
     (segid "    " and resid "106 " and name "HA  ")
 ASSI { 5626}
     (segid "    " and resid "106 " and name "HB1 ")
     (segid "    " and resid "103 " and name "HE3 ")
      3.300     1.400     1.400 peak  5626 weight  0.10000E+01 volume  0.30300E+00 ppm1      2.994 ppm2      7.059
 OR { 5626}
     (segid "    " and resid "106 " and name "HB2 ")
     (segid "    " and resid "103 " and name "HE3 ")
 ASSI { 4506}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG21")
      2.400     0.700     0.700 peak  4506 weight  0.10000E+01 volume  0.21350E+01 ppm1      1.271 ppm2      0.782
 OR { 4506}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 4506}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG22")
 ASSI { 4725}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HA  ")
      3.100     1.200     1.200 peak  4725 weight  0.10000E+01 volume  0.27200E+00 ppm1      3.129 ppm2      4.042
 ASSI { 4727}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HD2 ")
      2.300     0.700     0.700 peak  4727 weight  0.10000E+01 volume  0.11900E+01 ppm1      3.127 ppm2      1.318
 OR { 4727}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 4727}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 4727}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 4727}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 ASSI { 4391}
     (segid "    " and resid "15  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HA  ")
      2.400     0.700     0.700 peak  4391 weight  0.10000E+01 volume  0.16630E+01 ppm1      2.774 ppm2      4.673
 ASSI { 3735}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD11")
      2.600     0.800     0.800 peak  3735 weight  0.10000E+01 volume  0.12110E+01 ppm1      2.909 ppm2      0.681
 OR { 3735}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 3735}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 4644}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HA  ")
      2.400     0.700     0.700 peak  4644 weight  0.10000E+01 volume  0.15710E+01 ppm1      1.617 ppm2      4.275
 OR { 4644}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 4772}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "41  " and name "HD11")
      2.500     0.800     0.800 peak  4772 weight  0.10000E+01 volume  0.15620E+01 ppm1      1.489 ppm2      0.290
 OR { 4772}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "41  " and name "HD13")
 ASSI { 5460}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HB2 ")
      2.700     0.900     0.900 peak  5460 weight  0.10000E+01 volume  0.37600E+00 ppm1      3.468 ppm2      1.469
 ASSI { 4823}
     (segid "    " and resid "44  " and name "HA1 ")
     (segid "    " and resid "26  " and name "HG22")
      3.300     1.400     1.400 peak  4823 weight  0.10000E+01 volume  0.82700E+00 ppm1      4.392 ppm2      0.844
 OR { 4823}
     (segid "    " and resid "44  " and name "HA1 ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 4823}
     (segid "    " and resid "44  " and name "HA1 ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 5028}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "53  " and name "HD22")
      3.600     1.600     1.600 peak  5028 weight  0.10000E+01 volume  0.33200E+00 ppm1      3.542 ppm2      0.792
 OR { 5028}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 5028}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "53  " and name "HD23")
 ASSI { 5497}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HG11")
      3.300     1.400     1.400 peak  5497 weight  0.10000E+01 volume  0.23800E+00 ppm1      3.048 ppm2      1.765
 ASSI { 5493}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "22  " and name "HG22")
      3.400     1.400     1.400 peak  5493 weight  0.10000E+01 volume  0.65800E+00 ppm1      3.788 ppm2      0.777
 OR { 5493}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 5493}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 5309}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "80  " and name "HB2 ")
      2.600     0.800     0.800 peak  5309 weight  0.10000E+01 volume  0.47100E+00 ppm1      3.410 ppm2      2.516
 ASSI { 4574}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG13")
      3.700     1.700     1.700 peak  4574 weight  0.10000E+01 volume  0.40000E+00 ppm1      5.286 ppm2      0.847
 OR { 4574}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG11")
 OR { 4574}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG12")
 ASSI { 4212}
     (segid "    " and resid "3   " and name "HD1 ")
     (segid "    " and resid "106 " and name "HE2 ")
      3.500     1.500     1.500 peak  4212 weight  0.10000E+01 volume  0.25000E+00 ppm1      3.586 ppm2      6.690
 ASSI {  955}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HG1 ")
      2.600     0.800     0.800 peak   955 weight  0.10000E+01 volume  0.47600E+00 ppm1      3.689 ppm2      1.337
 OR {  955}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HG2 ")
 ASSI {  954}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HD1 ")
      2.400     2.400     2.600 peak   954 weight  0.10000E+01 volume  0.66200E+00 ppm1      3.691 ppm2      1.594
 OR {  954}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HB2 ")
 ASSI { 4688}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "34  " and name "HG1 ")
      3.200     1.300     1.300 peak  4688 weight  0.10000E+01 volume  0.28700E+00 ppm1      4.036 ppm2      1.499
 ASSI { 4390}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG23")
      3.000     1.100     1.100 peak  4390 weight  0.10000E+01 volume  0.13720E+01 ppm1      4.658 ppm2      0.703
 OR { 4390}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG22")
 OR { 4390}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 4390}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG13")
 ASSI { 6762}
     (segid "    " and resid "34  " and name "HD2 ")
     (segid "    " and resid "35  " and name "HN  ")
      3.000     1.100     1.100 peak  6762 weight  0.10000E+01 volume  0.40800E+00 ppm1      3.227 ppm2      7.371
 ASSI { 6759}
     (segid "    " and resid "34  " and name "HD1 ")
     (segid "    " and resid "34  " and name "HG2 ")
      2.100     0.600     0.600 peak  6759 weight  0.10000E+01 volume  0.14680E+01 ppm1      3.780 ppm2      1.321
 ASSI { 6746}
     (segid "    " and resid "34  " and name "HD1 ")
     (segid "    " and resid "35  " and name "HN  ")
      3.100     1.200     1.200 peak  6746 weight  0.10000E+01 volume  0.35300E+00 ppm1      3.780 ppm2      7.362
 ASSI { 4610}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG12")
      2.700     0.900     0.900 peak  4610 weight  0.10000E+01 volume  0.26330E+01 ppm1      4.561 ppm2      0.502
 OR { 4610}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG11")
 OR { 4610}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 4340}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB1 ")
      2.400     0.700     0.700 peak  4340 weight  0.10000E+01 volume  0.16280E+01 ppm1      5.263 ppm2      3.193
 ASSI { 4369}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "12  " and name "HD21")
      2.700     0.900     0.900 peak  4369 weight  0.10000E+01 volume  0.26040E+01 ppm1      5.076 ppm2      0.729
 OR { 4369}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "12  " and name "HD22")
 OR { 4369}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 4650}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "42  " and name "HA  ")
      2.600     0.800     0.800 peak  4650 weight  0.10000E+01 volume  0.22630E+01 ppm1      4.841 ppm2      5.265
 ASSI { 4546}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "24  " and name "HB1 ")
      2.400     0.700     0.700 peak  4546 weight  0.10000E+01 volume  0.19420E+01 ppm1      4.909 ppm2      1.793
 ASSI { 4307}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "10  " and name "HB1 ")
      2.500     0.800     0.800 peak  4307 weight  0.10000E+01 volume  0.14620E+01 ppm1      5.208 ppm2      1.992
 ASSI { 7221}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "84  " and name "HD13")
      4.300     2.300     1.700 peak  7221 weight  0.10000E+01 volume  0.15600E+00 ppm1      5.254 ppm2      0.673
 OR { 7221}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 7221}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "84  " and name "HD11")
 ASSI { 5440}
     (segid "    " and resid "95  " and name "HA  ")
     (segid "    " and resid "95  " and name "HG2 ")
      2.400     0.700     0.700 peak  5440 weight  0.10000E+01 volume  0.15480E+01 ppm1      4.536 ppm2      1.264
 OR { 5440}
     (segid "    " and resid "95  " and name "HA  ")
     (segid "    " and resid "95  " and name "HG1 ")
 ASSI { 7816}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD1 ")
      3.500     1.500     1.500 peak  7816 weight  0.10000E+01 volume  0.53700E+00 ppm1      4.939 ppm2      7.074
 OR { 7816}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HD2 ")
 ASSI { 5576}
     (segid "    " and resid "106 " and name "HA  ")
     (segid "    " and resid "106 " and name "HB1 ")
      3.100     1.200     1.200 peak  5576 weight  0.10000E+01 volume  0.34500E+00 ppm1      4.602 ppm2      3.113
 ASSI { 4877}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG22")
      4.100     2.100     1.900 peak  4877 weight  0.10000E+01 volume  0.21700E+00 ppm1      4.900 ppm2      1.113
 OR { 4877}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG21")
 OR { 4877}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG23")
 ASSI { 5111}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "74  " and name "HB1 ")
      3.800     1.800     1.800 peak  5111 weight  0.10000E+01 volume  0.30300E+00 ppm1      4.483 ppm2      1.279
 OR { 5111}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 5111}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 3750}
     (segid "    " and resid "79  " and name "HA  ")
     (segid "    " and resid "79  " and name "HD2 ")
      3.100     1.200     1.200 peak  3750 weight  0.10000E+01 volume  0.11610E+01 ppm1      5.803 ppm2      6.943
 ASSI { 4433}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "50  " and name "HE2 ")
      3.700     1.700     1.700 peak  4433 weight  0.10000E+01 volume  0.39400E+00 ppm1      4.362 ppm2      7.124
 ASSI { 4859}
     (segid "    " and resid "47  " and name "HA  ")
     (segid "    " and resid "47  " and name "HB  ")
      3.900     1.900     1.900 peak  4859 weight  0.10000E+01 volume  0.99000E-01 ppm1      4.555 ppm2      1.544
 ASSI { 4907}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "11  " and name "HE2 ")
      2.900     1.100     1.100 peak  4907 weight  0.10000E+01 volume  0.58100E+00 ppm1      4.501 ppm2      2.665
 OR { 4907}
     (segid "    " and resid "100 " and name "HA  ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 5133}
     (segid "    " and resid "81  " and name "HA  ")
     (segid "    " and resid "60  " and name "HA  ")
      3.000     1.100     1.100 peak  5133 weight  0.10000E+01 volume  0.10230E+01 ppm1      4.636 ppm2      5.161
 ASSI { 4756}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HB  ")
      2.500     0.800     0.800 peak  4756 weight  0.10000E+01 volume  0.12230E+01 ppm1      4.918 ppm2      4.048
 ASSI { 4464}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "21  " and name "HG2 ")
      3.000     1.100     1.100 peak  4464 weight  0.10000E+01 volume  0.44400E+00 ppm1      3.515 ppm2      1.398
 ASSI { 4879}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "80  " and name "HE2 ")
      4.100     2.100     1.900 peak  4879 weight  0.10000E+01 volume  0.22000E+00 ppm1      4.374 ppm2      6.963
 OR { 4879}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 4700}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HD1 ")
      3.200     1.300     1.300 peak  4700 weight  0.10000E+01 volume  0.27900E+00 ppm1      4.240 ppm2      3.785
 ASSI { 5201}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD22")
      3.500     1.500     1.500 peak  5201 weight  0.10000E+01 volume  0.19700E+00 ppm1      3.828 ppm2      0.760
 OR { 5201}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 5201}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 5201}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 5201}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 5201}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 5201}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 5201}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 5201}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD23")
 ASSI { 5171}
     (segid "    " and resid "100 " and name "HB  ")
     (segid "    " and resid "104 " and name "HB1 ")
      2.600     0.800     0.800 peak  5171 weight  0.10000E+01 volume  0.42800E+00 ppm1      4.610 ppm2      1.596
 ASSI { 4358}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "73  " and name "HA  ")
      2.700     0.900     0.900 peak  4358 weight  0.10000E+01 volume  0.26080E+01 ppm1      0.749 ppm2      4.228
 OR { 4358}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 4358}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI { 3728}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "80  " and name "HA  ")
      4.100     2.100     1.900 peak  3728 weight  0.10000E+01 volume  0.23400E+00 ppm1      6.934 ppm2      5.249
 ASSI { 7525}
     (segid "    " and resid "60  " and name "HZ  ")
     (segid "    " and resid "60  " and name "HD2 ")
      4.200     2.200     1.800 peak  7525 weight  0.10000E+01 volume  0.27000E+00 ppm1      7.346 ppm2      7.026
 OR { 7525}
     (segid "    " and resid "60  " and name "HZ  ")
     (segid "    " and resid "60  " and name "HD1 ")
 ASSI { 4728}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "80  " and name "HA  ")
      3.800     1.800     1.800 peak  4728 weight  0.10000E+01 volume  0.34700E+00 ppm1      7.354 ppm2      5.246
 OR { 4728}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "80  " and name "HA  ")
 ASSI { 3759}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HB1 ")
      2.700     0.900     0.900 peak  3759 weight  0.10000E+01 volume  0.11850E+01 ppm1      7.355 ppm2      3.777
 OR { 3759}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 6251}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "6   " and name "HG2 ")
      3.400     1.400     1.400 peak  6251 weight  0.10000E+01 volume  0.27000E+00 ppm1      7.073 ppm2      1.350
 OR { 6251}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "6   " and name "HG2 ")
 ASSI { 3741}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD13")
      3.400     1.400     1.400 peak  3741 weight  0.10000E+01 volume  0.83600E+00 ppm1      7.402 ppm2      0.675
 OR { 3741}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 3741}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 3741}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 4532}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "94  " and name "HA2 ")
      3.300     1.400     1.400 peak  4532 weight  0.10000E+01 volume  0.77100E+00 ppm1      0.519 ppm2      3.048
 OR { 4532}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "94  " and name "HA2 ")
 OR { 4532}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "94  " and name "HA2 ")
 ASSI { 4531}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "94  " and name "HA1 ")
      3.300     1.400     1.400 peak  4531 weight  0.10000E+01 volume  0.67800E+00 ppm1      0.517 ppm2      3.794
 OR { 4531}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "94  " and name "HA1 ")
 OR { 4531}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "94  " and name "HA1 ")
 ASSI { 4524}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "52  " and name "HE1 ")
      2.800     1.000     1.000 peak  4524 weight  0.10000E+01 volume  0.97400E+00 ppm1      0.784 ppm2      1.640
 OR { 4524}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "52  " and name "HE1 ")
 OR { 4524}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "52  " and name "HE1 ")
 ASSI { 5379}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "31  " and name "HB2 ")
      3.300     1.400     1.400 peak  5379 weight  0.10000E+01 volume  0.37100E+00 ppm1      0.792 ppm2      2.905
 OR { 5379}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 4788}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "65  " and name "HG21")
      3.400     1.400     1.400 peak  4788 weight  0.10000E+01 volume  0.89000E+00 ppm1      0.695 ppm2      1.040
 OR { 4788}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "65  " and name "HG23")
 OR { 4788}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "65  " and name "HG21")
 OR { 4788}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "65  " and name "HG23")
 OR { 4788}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "65  " and name "HG22")
 OR { 4788}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "65  " and name "HG23")
 ASSI { 7552}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "80  " and name "HZ  ")
      3.100     1.200     1.200 peak  7552 weight  0.10000E+01 volume  0.14200E+01 ppm1      1.117 ppm2      7.150
 OR { 7552}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "80  " and name "HZ  ")
 OR { 7552}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "80  " and name "HZ  ")
 ASSI { 4896}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "49  " and name "HB  ")
      2.300     0.700     0.700 peak  4896 weight  0.10000E+01 volume  0.31940E+01 ppm1      1.116 ppm2      2.509
 OR { 4896}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "49  " and name "HB  ")
 OR { 4896}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "49  " and name "HB  ")
 ASSI { 4979}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "53  " and name "HA  ")
      2.700     0.900     0.900 peak  4979 weight  0.10000E+01 volume  0.25140E+01 ppm1      0.900 ppm2      4.367
 OR { 4979}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "53  " and name "HA  ")
 OR { 4979}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "53  " and name "HA  ")
 ASSI { 4982}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "7   " and name "HD23")
      4.300     2.300     1.700 peak  4982 weight  0.10000E+01 volume  0.19700E+00 ppm1      0.899 ppm2     -0.075
 OR { 4982}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "7   " and name "HD22")
 OR { 4982}
     (segid "    " and resid "53  " and name "HD12")
     (segid "    " and resid "7   " and name "HD21")
 OR { 4982}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "7   " and name "HD22")
 OR { 4982}
     (segid "    " and resid "53  " and name "HD11")
     (segid "    " and resid "7   " and name "HD22")
 OR { 4982}
     (segid "    " and resid "53  " and name "HD13")
     (segid "    " and resid "7   " and name "HD21")
 ASSI { 4273}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "60  " and name "HZ  ")
      3.600     1.600     1.600 peak  4273 weight  0.10000E+01 volume  0.55500E+00 ppm1      0.527 ppm2      7.392
 OR { 4273}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "60  " and name "HE2 ")
 OR { 4273}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "60  " and name "HE1 ")
 OR { 4273}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "60  " and name "HE1 ")
 OR { 4273}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "60  " and name "HZ  ")
 OR { 4273}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "60  " and name "HE2 ")
 ASSI { 4748}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "39  " and name "HA  ")
      2.700     0.900     0.900 peak  4748 weight  0.10000E+01 volume  0.26220E+01 ppm1      0.894 ppm2      4.657
 OR { 4748}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "39  " and name "HA  ")
 ASSI { 4626}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "80  " and name "HD2 ")
      3.000     1.100     1.100 peak  4626 weight  0.10000E+01 volume  0.17240E+01 ppm1      0.972 ppm2      6.942
 OR { 4626}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "80  " and name "HD2 ")
 OR { 4626}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 4626}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "80  " and name "HD2 ")
 ASSI { 4743}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "39  " and name "HB2 ")
      2.400     0.700     0.700 peak  4743 weight  0.10000E+01 volume  0.20270E+01 ppm1      0.975 ppm2      1.455
 OR { 4743}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "39  " and name "HB2 ")
 OR { 4743}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "39  " and name "HB2 ")
 ASSI { 5238}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "50  " and name "HB1 ")
      3.000     1.100     1.100 peak  5238 weight  0.10000E+01 volume  0.56000E+00 ppm1      0.528 ppm2      3.036
 OR { 5238}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 5238}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 6614}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "85  " and name "HA  ")
      4.500     2.500     1.500 peak  6614 weight  0.10000E+01 volume  0.12500E+00 ppm1      0.781 ppm2      5.350
 OR { 6614}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "85  " and name "HA  ")
 OR { 6614}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "85  " and name "HA  ")
 ASSI { 4296}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD22")
      2.600     0.800     0.800 peak  4296 weight  0.10000E+01 volume  0.36490E+01 ppm1      1.716 ppm2      0.792
 OR { 4296}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 4296}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 4296}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 4296}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 4296}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD22")
 ASSI { 4494}
     (segid "    " and resid "43  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HE  ")
      2.800     1.000     1.000 peak  4494 weight  0.10000E+01 volume  0.31700E+00 ppm1      1.396 ppm2      7.119
 OR { 4494}
     (segid "    " and resid "43  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HE  ")
 ASSI { 5370}
     (segid "    " and resid "84  " and name "HG12")
     (segid "    " and resid "81  " and name "HD2 ")
      2.900     1.100     1.100 peak  5370 weight  0.10000E+01 volume  0.21900E+00 ppm1      1.197 ppm2      2.696
 ASSI { 4775}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HD1 ")
      2.200     0.600     0.600 peak  4775 weight  0.10000E+01 volume  0.12460E+01 ppm1      1.495 ppm2      3.790
 ASSI { 4779}
     (segid "    " and resid "41  " and name "HG12")
     (segid "    " and resid "47  " and name "HG22")
      3.100     1.200     1.200 peak  4779 weight  0.10000E+01 volume  0.44600E+00 ppm1      0.779 ppm2      0.481
 OR { 4779}
     (segid "    " and resid "41  " and name "HG12")
     (segid "    " and resid "47  " and name "HG12")
 OR { 4779}
     (segid "    " and resid "41  " and name "HG12")
     (segid "    " and resid "47  " and name "HG21")
 OR { 4779}
     (segid "    " and resid "41  " and name "HG12")
     (segid "    " and resid "47  " and name "HG11")
 ASSI { 5660}
     (segid "    " and resid "10  " and name "HG1 ")
     (segid "    " and resid "99  " and name "HA  ")
      2.800     1.000     1.000 peak  5660 weight  0.10000E+01 volume  0.56800E+00 ppm1      1.554 ppm2      4.602
 OR { 5660}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 4515}
     (segid "    " and resid "22  " and name "HG12")
     (segid "    " and resid "22  " and name "HG22")
      2.900     1.100     1.100 peak  4515 weight  0.10000E+01 volume  0.72100E+00 ppm1      0.588 ppm2      0.778
 OR { 4515}
     (segid "    " and resid "22  " and name "HG12")
     (segid "    " and resid "22  " and name "HG21")
 OR { 4515}
     (segid "    " and resid "22  " and name "HG12")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 5012}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "12  " and name "HD11")
      3.000     1.100     1.100 peak  5012 weight  0.10000E+01 volume  0.61300E+00 ppm1      1.458 ppm2      0.750
 OR { 5012}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 5012}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "12  " and name "HD12")
 OR { 5012}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "12  " and name "HD23")
 OR { 5012}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "12  " and name "HD22")
 ASSI { 5008}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "12  " and name "HD11")
      2.400     0.700     0.700 peak  5008 weight  0.10000E+01 volume  0.21470E+01 ppm1      1.633 ppm2      0.751
 OR { 5008}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 5008}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "12  " and name "HD12")
 OR { 5008}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 4455}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "14  " and name "HB3 ")
      2.800     1.000     1.000 peak  4455 weight  0.10000E+01 volume  0.55700E+00 ppm1      2.738 ppm2      1.259
 OR { 4455}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 4455}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 7639}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "52  " and name "HB2 ")
      2.600     0.800     0.800 peak  7639 weight  0.10000E+01 volume  0.41100E+00 ppm1      1.002 ppm2      1.441
 ASSI { 4472}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD21")
      2.600     0.800     0.800 peak  4472 weight  0.10000E+01 volume  0.12820E+01 ppm1      1.503 ppm2      0.770
 OR { 4472}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 4472}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD22")
 ASSI { 4484}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD21")
      2.900     1.100     1.100 peak  4484 weight  0.10000E+01 volume  0.71100E+00 ppm1      1.006 ppm2      0.771
 OR { 4484}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 4484}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD22")
 ASSI { 5278}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "81  " and name "HA  ")
      2.700     0.900     0.900 peak  5278 weight  0.10000E+01 volume  0.80000E+00 ppm1      2.055 ppm2      4.651
 ASSI { 4889}
     (segid "    " and resid "49  " and name "HB  ")
     (segid "    " and resid "22  " and name "HD11")
      3.000     1.100     1.100 peak  4889 weight  0.10000E+01 volume  0.40100E+00 ppm1      2.510 ppm2      0.522
 OR { 4889}
     (segid "    " and resid "49  " and name "HB  ")
     (segid "    " and resid "22  " and name "HD12")
 OR { 4889}
     (segid "    " and resid "49  " and name "HB  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 4241}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HD2 ")
      2.800     1.000     1.000 peak  4241 weight  0.10000E+01 volume  0.30900E+00 ppm1      1.502 ppm2      3.283
 ASSI { 5516}
     (segid "    " and resid "96  " and name "HB  ")
     (segid "    " and resid "13  " and name "HB2 ")
      2.800     1.000     1.000 peak  5516 weight  0.10000E+01 volume  0.26100E+00 ppm1      1.616 ppm2      3.374
 ASSI { 4678}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HA  ")
      2.200     0.600     0.600 peak  4678 weight  0.10000E+01 volume  0.26210E+01 ppm1      1.724 ppm2      4.505
 OR { 4678}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 6711}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "90  " and name "HG22")
      3.100     3.100     1.900 peak  6711 weight  0.10000E+01 volume  0.41500E+00 ppm1      1.722 ppm2      1.021
 OR { 6711}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "90  " and name "HG21")
 OR { 6711}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "90  " and name "HG23")
 ASSI { 6656}
     (segid "    " and resid "65  " and name "HB  ")
     (segid "    " and resid "65  " and name "HA  ")
      2.500     0.800     0.800 peak  6656 weight  0.10000E+01 volume  0.14250E+01 ppm1      2.266 ppm2      4.661
 ASSI { 1156}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HG2 ")
      3.200     1.300     1.300 peak  1156 weight  0.10000E+01 volume  0.13100E+00 ppm1      1.772 ppm2      2.551
 ASSI { 5356}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "61  " and name "HH2 ")
      3.100     1.200     1.200 peak  5356 weight  0.10000E+01 volume  0.44600E+00 ppm1      2.491 ppm2      7.143
 ASSI { 5344}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "84  " and name "HG11")
      2.300     0.700     0.700 peak  5344 weight  0.10000E+01 volume  0.84000E+00 ppm1      2.132 ppm2      1.633
 ASSI { 5113}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HB1 ")
      3.500     1.500     1.500 peak  5113 weight  0.10000E+01 volume  0.23100E+00 ppm1      2.842 ppm2      1.272
 OR { 5113}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 5113}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 5113}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 5113}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 4961}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD11")
      2.800     1.000     1.000 peak  4961 weight  0.10000E+01 volume  0.88500E+00 ppm1      2.792 ppm2      0.896
 OR { 4961}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 4961}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 5625}
     (segid "    " and resid "106 " and name "HB1 ")
     (segid "    " and resid "103 " and name "HA  ")
      2.700     0.900     0.900 peak  5625 weight  0.10000E+01 volume  0.87900E+00 ppm1      3.066 ppm2      4.354
 OR { 5625}
     (segid "    " and resid "106 " and name "HB2 ")
     (segid "    " and resid "103 " and name "HA  ")
 ASSI { 4503}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HA  ")
      3.000     1.100     1.100 peak  4503 weight  0.10000E+01 volume  0.46800E+00 ppm1      1.276 ppm2      4.348
 ASSI { 4144}
     (segid "    " and resid "79  " and name "HB1 ")
     (segid "    " and resid "79  " and name "HD2 ")
      2.700     0.900     0.900 peak  4144 weight  0.10000E+01 volume  0.10430E+01 ppm1      2.686 ppm2      6.940
 OR { 4144}
     (segid "    " and resid "79  " and name "HB1 ")
     (segid "    " and resid "79  " and name "HD1 ")
 ASSI { 5538}
     (segid "    " and resid "102 " and name "HE2 ")
     (segid "    " and resid "106 " and name "HE1 ")
      3.500     1.500     1.500 peak  5538 weight  0.10000E+01 volume  0.24000E+00 ppm1      2.334 ppm2      6.692
 OR { 5538}
     (segid "    " and resid "102 " and name "HE1 ")
     (segid "    " and resid "106 " and name "HE1 ")
 ASSI { 5615}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD2 ")
      3.600     1.600     1.600 peak  5615 weight  0.10000E+01 volume  0.18800E+00 ppm1      2.446 ppm2      7.086
 OR { 5615}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD1 ")
 ASSI { 7619}
     (segid "    " and resid "52  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HD2 ")
      2.500     0.800     0.800 peak  7619 weight  0.10000E+01 volume  0.64400E+00 ppm1      1.636 ppm2      0.980
 ASSI { 5641}
     (segid "    " and resid "107 " and name "HB2 ")
     (segid "    " and resid "107 " and name "HA  ")
      2.600     0.800     0.800 peak  5641 weight  0.10000E+01 volume  0.94200E+00 ppm1      3.316 ppm2      4.792
 ASSI { 4516}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "23  " and name "HA  ")
      4.100     2.100     1.900 peak  4516 weight  0.10000E+01 volume  0.21300E+00 ppm1      0.784 ppm2      4.930
 OR { 4516}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4516}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 5232}
     (segid "    " and resid "77  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HD11")
      2.500     0.800     0.800 peak  5232 weight  0.10000E+01 volume  0.16160E+01 ppm1      1.267 ppm2      0.527
 OR { 5232}
     (segid "    " and resid "77  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD11")
 OR { 5232}
     (segid "    " and resid "77  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD13")
 OR { 5232}
     (segid "    " and resid "77  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HD13")
 OR { 5232}
     (segid "    " and resid "77  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HD12")
 ASSI { 5325}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HG22")
      3.500     1.500     1.500 peak  5325 weight  0.10000E+01 volume  0.17600E+00 ppm1      2.695 ppm2      0.801
 OR { 5325}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HG21")
 ASSI { 5323}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "81  " and name "HD1 ")
      2.000     0.500     0.500 peak  5323 weight  0.10000E+01 volume  0.21020E+01 ppm1      2.691 ppm2      3.412
 ASSI { 5312}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HD1 ")
      3.300     1.400     1.400 peak  5312 weight  0.10000E+01 volume  0.34300E+00 ppm1      2.698 ppm2      7.389
 OR { 5312}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HD2 ")
 ASSI { 4214}
     (segid "    " and resid "3   " and name "HD2 ")
     (segid "    " and resid "106 " and name "HE2 ")
      3.400     1.400     1.400 peak  4214 weight  0.10000E+01 volume  0.28300E+00 ppm1      3.439 ppm2      6.693
 ASSI { 5314}
     (segid "    " and resid "21  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HE2 ")
      3.500     1.500     1.500 peak  5314 weight  0.10000E+01 volume  0.23700E+00 ppm1      3.546 ppm2      7.118
 OR { 5314}
     (segid "    " and resid "21  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HZ  ")
 OR { 5314}
     (segid "    " and resid "21  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD2 ")
 ASSI { 6292}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "56  " and name "HD1 ")
      3.500     1.500     1.500 peak  6292 weight  0.10000E+01 volume  0.18900E+00 ppm1      4.272 ppm2      3.173
 OR { 6292}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "56  " and name "HD2 ")
 ASSI { 4218}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HG2 ")
      3.100     1.200     1.200 peak  4218 weight  0.10000E+01 volume  0.39300E+00 ppm1      5.043 ppm2      2.530
 ASSI { 6772}
     (segid "    " and resid "34  " and name "HD2 ")
     (segid "    " and resid "34  " and name "HG2 ")
      2.100     0.600     0.600 peak  6772 weight  0.10000E+01 volume  0.15760E+01 ppm1      3.230 ppm2      1.329
 ASSI { 4341}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB2 ")
      2.500     0.800     0.800 peak  4341 weight  0.10000E+01 volume  0.12250E+01 ppm1      5.263 ppm2      2.876
 ASSI { 4308}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "100 " and name "HG22")
      3.300     1.400     1.400 peak  4308 weight  0.10000E+01 volume  0.69500E+00 ppm1      5.208 ppm2      0.950
 OR { 4308}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 4308}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "100 " and name "HG21")
 ASSI { 5253}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "81  " and name "HD2 ")
      2.700     0.900     0.900 peak  5253 weight  0.10000E+01 volume  0.86400E+00 ppm1      5.254 ppm2      2.689
 ASSI { 5455}
     (segid "    " and resid "53  " and name "HA  ")
     (segid "    " and resid "11  " and name "HA  ")
      2.800     1.000     1.000 peak  5455 weight  0.10000E+01 volume  0.15550E+01 ppm1      4.370 ppm2      4.908
 ASSI { 4259}
     (segid "    " and resid "53  " and name "HA  ")
     (segid "    " and resid "53  " and name "HB2 ")
      2.700     0.900     0.900 peak  4259 weight  0.10000E+01 volume  0.87900E+00 ppm1      4.366 ppm2      1.076
 ASSI { 6231}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HG1 ")
      2.800     1.000     1.000 peak  6231 weight  0.10000E+01 volume  0.71200E+00 ppm1      2.879 ppm2      1.606
 ASSI { 4717}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB2 ")
      3.800     1.800     1.800 peak  4717 weight  0.10000E+01 volume  0.32300E+00 ppm1      5.396 ppm2      1.331
 OR { 4717}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB3 ")
 OR { 4717}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 5210}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HB2 ")
      2.300     0.700     0.700 peak  5210 weight  0.10000E+01 volume  0.22490E+01 ppm1      4.371 ppm2      2.842
 ASSI { 4663}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HE2 ")
      4.000     2.000     2.000 peak  4663 weight  0.10000E+01 volume  0.25900E+00 ppm1      4.605 ppm2      6.935
 OR { 4663}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HE1 ")
 ASSI { 5592}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HB1 ")
      2.100     0.600     0.600 peak  5592 weight  0.10000E+01 volume  0.33500E+01 ppm1      4.003 ppm2      1.599
 ASSI { 4397}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "98  " and name "HG13")
      3.600     1.600     1.600 peak  4397 weight  0.10000E+01 volume  0.45800E+00 ppm1      3.913 ppm2      1.057
 OR { 4397}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "98  " and name "HG12")
 OR { 4397}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "98  " and name "HG11")
 ASSI { 4765}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG11")
      4.100     2.100     1.900 peak  4765 weight  0.10000E+01 volume  0.69000E-01 ppm1      4.399 ppm2      1.465
 OR { 4765}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB  ")
 ASSI { 4903}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD1 ")
      3.400     1.400     1.400 peak  4903 weight  0.10000E+01 volume  0.62700E+00 ppm1      4.482 ppm2      7.130
 OR { 4903}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD2 ")
 ASSI { 5327}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "80  " and name "HD1 ")
      3.500     1.500     1.500 peak  5327 weight  0.10000E+01 volume  0.55500E+00 ppm1      2.878 ppm2      6.954
 OR { 5327}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 4847}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "47  " and name "HG21")
      3.600     1.600     1.600 peak  4847 weight  0.10000E+01 volume  0.48600E+00 ppm1      4.501 ppm2      0.490
 OR { 4847}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "47  " and name "HG22")
 OR { 4847}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "47  " and name "HG23")
 ASSI { 4843}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB  ")
      2.600     0.800     0.800 peak  4843 weight  0.10000E+01 volume  0.97300E+00 ppm1      4.502 ppm2      1.884
 ASSI { 4228}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HB2 ")
      2.600     0.800     0.800 peak  4228 weight  0.10000E+01 volume  0.11060E+01 ppm1      4.223 ppm2      1.518
 ASSI { 5510}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HB  ")
      2.600     0.800     0.800 peak  5510 weight  0.10000E+01 volume  0.99000E+00 ppm1      4.018 ppm2      1.622
 ASSI { 4882}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HB  ")
      2.800     1.000     1.000 peak  4882 weight  0.10000E+01 volume  0.71800E+00 ppm1      4.375 ppm2      2.513
 ASSI { 4878}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "80  " and name "HZ  ")
      3.600     1.600     1.600 peak  4878 weight  0.10000E+01 volume  0.51600E+00 ppm1      4.373 ppm2      7.138
 ASSI { 5448}
     (segid "    " and resid "90  " and name "HA  ")
     (segid "    " and resid "91  " and name "HG  ")
      3.100     1.200     1.200 peak  5448 weight  0.10000E+01 volume  0.35700E+00 ppm1      4.033 ppm2      1.462
 ASSI { 4798}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "41  " and name "HG11")
      2.100     0.600     0.600 peak  4798 weight  0.10000E+01 volume  0.49200E+01 ppm1      0.291 ppm2      1.467
 OR { 4798}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 4798}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "41  " and name "HG11")
 OR { 4798}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "41  " and name "HG11")
 ASSI { 4794}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "80  " and name "HB1 ")
      3.100     1.200     1.200 peak  4794 weight  0.10000E+01 volume  0.52000E+00 ppm1      0.291 ppm2      3.466
 OR { 4794}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "80  " and name "HB1 ")
 OR { 4794}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "80  " and name "HB1 ")
 ASSI { 5635}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "3   " and name "HG2 ")
      3.400     1.400     1.400 peak  5635 weight  0.10000E+01 volume  0.26700E+00 ppm1      6.793 ppm2      1.882
 OR { 5635}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 4534}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "52  " and name "HE1 ")
      2.600     0.800     0.800 peak  4534 weight  0.10000E+01 volume  0.14380E+01 ppm1      0.518 ppm2      1.648
 OR { 4534}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "52  " and name "HE1 ")
 OR { 4534}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "52  " and name "HE1 ")
 ASSI { 5391}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "84  " and name "HB  ")
      2.400     0.700     0.700 peak  5391 weight  0.10000E+01 volume  0.20800E+01 ppm1      0.671 ppm2      2.133
 OR { 5391}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "84  " and name "HB  ")
 OR { 5391}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "84  " and name "HB  ")
 ASSI { 4523}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "22  " and name "HG11")
      2.700     0.900     0.900 peak  4523 weight  0.10000E+01 volume  0.10860E+01 ppm1      0.784 ppm2      1.766
 OR { 4523}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "22  " and name "HG11")
 OR { 4523}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "22  " and name "HG11")
 ASSI { 5381}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "84  " and name "HG11")
      2.600     0.800     0.800 peak  5381 weight  0.10000E+01 volume  0.13360E+01 ppm1      0.794 ppm2      1.632
 OR { 5381}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "84  " and name "HG11")
 OR { 5381}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "84  " and name "HG11")
 ASSI { 5407}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "85  " and name "HA  ")
      3.200     1.300     1.300 peak  5407 weight  0.10000E+01 volume  0.89100E+00 ppm1      0.852 ppm2      5.333
 OR { 5407}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "85  " and name "HA  ")
 OR { 5407}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "85  " and name "HA  ")
 ASSI { 4619}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG21")
      2.500     0.800     0.800 peak  4619 weight  0.10000E+01 volume  0.52350E+01 ppm1      1.396 ppm2      0.692
 OR { 4619}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 4619}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 4619}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 4619}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "41  " and name "HG21")
 OR { 4619}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "41  " and name "HG22")
 ASSI { 4869}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "85  " and name "HB  ")
      2.300     0.700     0.700 peak  4869 weight  0.10000E+01 volume  0.26820E+01 ppm1      0.505 ppm2      1.821
 OR { 4869}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "85  " and name "HB  ")
 OR { 4869}
     (segid "    " and resid "85  " and name "HG11")
     (segid "    " and resid "85  " and name "HB  ")
 ASSI { 4871}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "85  " and name "HA  ")
      2.700     0.900     0.900 peak  4871 weight  0.10000E+01 volume  0.25010E+01 ppm1      0.502 ppm2      5.342
 OR { 4871}
     (segid "    " and resid "85  " and name "HG11")
     (segid "    " and resid "85  " and name "HA  ")
 OR { 4871}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "85  " and name "HA  ")
 ASSI { 5574}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "98  " and name "HB  ")
      2.400     0.700     0.700 peak  5574 weight  0.10000E+01 volume  0.24300E+01 ppm1      0.903 ppm2      1.910
 OR { 5574}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "98  " and name "HB  ")
 OR { 5574}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "98  " and name "HB  ")
 ASSI { 5563}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "65  " and name "HB  ")
      2.200     0.600     0.600 peak  5563 weight  0.10000E+01 volume  0.32940E+01 ppm1      1.054 ppm2      2.266
 OR { 5563}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "65  " and name "HB  ")
 OR { 5563}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "65  " and name "HB  ")
 ASSI { 4634}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "28  " and name "HA  ")
      2.500     0.800     0.800 peak  4634 weight  0.10000E+01 volume  0.46780E+01 ppm1      0.792 ppm2      4.274
 OR { 4634}
     (segid "    " and resid "28  " and name "HD13")
     (segid "    " and resid "28  " and name "HA  ")
 OR { 4634}
     (segid "    " and resid "28  " and name "HD12")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 4893}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "61  " and name "HZ3 ")
      3.700     1.700     1.700 peak  4893 weight  0.10000E+01 volume  0.51700E+00 ppm1      1.114 ppm2      6.745
 OR { 4893}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "61  " and name "HZ3 ")
 OR { 4893}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "61  " and name "HZ3 ")
 ASSI { 4578}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HA  ")
      2.500     0.800     0.800 peak  4578 weight  0.10000E+01 volume  0.43220E+01 ppm1      1.190 ppm2      5.296
 OR { 4578}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 4578}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 4577}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HZ3 ")
      4.200     2.200     1.800 peak  4577 weight  0.10000E+01 volume  0.22600E+00 ppm1      1.191 ppm2      6.749
 OR { 4577}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HZ3 ")
 OR { 4577}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "61  " and name "HZ3 ")
 ASSI { 5240}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "50  " and name "HD2 ")
      3.400     1.400     1.400 peak  5240 weight  0.10000E+01 volume  0.80800E+00 ppm1      0.315 ppm2      7.129
 OR { 5240}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "50  " and name "HD1 ")
 OR { 5240}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "50  " and name "HD1 ")
 OR { 5240}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "50  " and name "HD1 ")
 OR { 5240}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "50  " and name "HD2 ")
 OR { 5240}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "50  " and name "HE1 ")
 ASSI { 5246}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "50  " and name "HB2 ")
      3.300     1.400     1.400 peak  5246 weight  0.10000E+01 volume  0.34000E+00 ppm1      0.315 ppm2      2.814
 OR { 5246}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "50  " and name "HB2 ")
 OR { 5246}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 4287}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "7   " and name "HG  ")
      2.200     0.600     0.600 peak  4287 weight  0.10000E+01 volume  0.38360E+01 ppm1     -0.065 ppm2      0.883
 OR { 4287}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "7   " and name "HG  ")
 OR { 4287}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "7   " and name "HG  ")
 ASSI { 4738}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "64  " and name "HA  ")
      3.100     1.200     1.200 peak  4738 weight  0.10000E+01 volume  0.11200E+01 ppm1      0.973 ppm2      5.237
 OR { 4738}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "64  " and name "HA  ")
 OR { 4738}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 5235}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "50  " and name "HD2 ")
      3.700     1.700     1.700 peak  5235 weight  0.10000E+01 volume  0.51100E+00 ppm1      0.528 ppm2      7.132
 OR { 5235}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "50  " and name "HD2 ")
 OR { 5235}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "50  " and name "HD1 ")
 OR { 5235}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "50  " and name "HD2 ")
 OR { 5235}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "50  " and name "HD1 ")
 ASSI { 5239}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "50  " and name "HB2 ")
      3.000     1.100     1.100 peak  5239 weight  0.10000E+01 volume  0.54800E+00 ppm1      0.526 ppm2      2.813
 OR { 5239}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "50  " and name "HB2 ")
 OR { 5239}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 4293}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HB1 ")
      2.700     0.900     0.900 peak  4293 weight  0.10000E+01 volume  0.10820E+01 ppm1      1.718 ppm2      2.798
 OR { 4293}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HB1 ")
 OR { 4293}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "53  " and name "HB1 ")
 ASSI { 4485}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "21  " and name "HD1 ")
      2.300     0.700     0.700 peak  4485 weight  0.10000E+01 volume  0.87100E+00 ppm1      1.731 ppm2      3.548
 ASSI { 4493}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "21  " and name "HD2 ")
      2.300     0.700     0.700 peak  4493 weight  0.10000E+01 volume  0.93000E+00 ppm1      1.400 ppm2      3.381
 ASSI { 4492}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "21  " and name "HD1 ")
      2.300     0.700     0.700 peak  4492 weight  0.10000E+01 volume  0.89300E+00 ppm1      1.400 ppm2      3.543
 ASSI { 5372}
     (segid "    " and resid "84  " and name "HG12")
     (segid "    " and resid "85  " and name "HG11")
      2.700     0.900     0.900 peak  5372 weight  0.10000E+01 volume  0.11340E+01 ppm1      1.196 ppm2      0.500
 OR { 5372}
     (segid "    " and resid "84  " and name "HG12")
     (segid "    " and resid "85  " and name "HG12")
 OR { 5372}
     (segid "    " and resid "84  " and name "HG12")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 5664}
     (segid "    " and resid "10  " and name "HG1 ")
     (segid "    " and resid "10  " and name "HB1 ")
      2.000     0.500     0.500 peak  5664 weight  0.10000E+01 volume  0.19220E+01 ppm1      1.553 ppm2      1.987
 OR { 5664}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HB1 ")
 ASSI { 5659}
     (segid "    " and resid "10  " and name "HG1 ")
     (segid "    " and resid "10  " and name "HA  ")
      2.700     0.900     0.900 peak  5659 weight  0.10000E+01 volume  0.84200E+00 ppm1      1.557 ppm2      5.212
 OR { 5659}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HA  ")
 ASSI { 4424}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HA  ")
      2.400     0.700     0.700 peak  4424 weight  0.10000E+01 volume  0.15940E+01 ppm1      2.223 ppm2      4.385
 ASSI { 5534}
     (segid "    " and resid "102 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HG1 ")
      2.000     0.500     0.500 peak  5534 weight  0.10000E+01 volume  0.24990E+01 ppm1      1.245 ppm2      0.690
 OR { 5534}
     (segid "    " and resid "102 " and name "HD2 ")
     (segid "    " and resid "102 " and name "HG1 ")
 ASSI { 4181}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "108 " and name "HA  ")
      3.600     1.600     1.600 peak  4181 weight  0.10000E+01 volume  0.15900E+00 ppm1      2.671 ppm2      4.246
 OR { 4181}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "108 " and name "HA  ")
 ASSI { 1335}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HE2 ")
      2.500     0.800     0.800 peak  1335 weight  0.10000E+01 volume  0.51300E+00 ppm1      1.234 ppm2      2.810
 OR { 1335}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 1331}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD1 ")
      3.900     1.900     1.900 peak  1331 weight  0.10000E+01 volume  0.12300E+00 ppm1      1.237 ppm2      7.066
 OR { 1331}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "105 " and name "HD2 ")
 ASSI { 4849}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG21")
      2.200     0.600     0.600 peak  4849 weight  0.10000E+01 volume  0.36450E+01 ppm1      1.888 ppm2      0.992
 OR { 4849}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 4849}
     (segid "    " and resid "46  " and name "HB  ")
     (segid "    " and resid "46  " and name "HG23")
 ASSI { 4203}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HG2 ")
      2.200     0.600     0.600 peak  4203 weight  0.10000E+01 volume  0.12870E+01 ppm1      2.128 ppm2      1.340
 ASSI { 1154}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HG2 ")
      3.800     1.800     1.800 peak  1154 weight  0.10000E+01 volume  0.46000E-01 ppm1      1.938 ppm2      2.555
 ASSI { 4118}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HE1 ")
      3.600     1.600     1.600 peak  4118 weight  0.10000E+01 volume  0.20300E+00 ppm1      3.257 ppm2      6.958
 OR { 4118}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HD1 ")
 ASSI { 7631}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HD1 ")
      2.900     1.100     1.100 peak  7631 weight  0.10000E+01 volume  0.25300E+00 ppm1      1.419 ppm2      1.167
 ASSI { 5501}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HA  ")
      2.400     0.700     0.700 peak  5501 weight  0.10000E+01 volume  0.16450E+01 ppm1      1.707 ppm2      4.536
 ASSI { 4326}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HG1 ")
      2.100     0.600     0.600 peak  4326 weight  0.10000E+01 volume  0.14330E+01 ppm1      1.800 ppm2      2.196
 ASSI { 4320}
     (segid "    " and resid "85  " and name "HB  ")
     (segid "    " and resid "85  " and name "HA  ")
      2.400     0.700     0.700 peak  4320 weight  0.10000E+01 volume  0.16820E+01 ppm1      1.819 ppm2      5.339
 ASSI { 6943}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "45  " and name "HB1 ")
      1.900     0.500     0.500 peak  6943 weight  0.10000E+01 volume  0.25280E+01 ppm1      2.395 ppm2      2.129
 OR { 6943}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 4334}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HA  ")
      3.300     1.400     1.400 peak  4334 weight  0.10000E+01 volume  0.25600E+00 ppm1      1.534 ppm2      4.371
 OR { 4334}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HA  ")
 ASSI { 5263}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "80  " and name "HB1 ")
      2.100     0.600     0.600 peak  5263 weight  0.10000E+01 volume  0.14690E+01 ppm1      2.519 ppm2      3.467
 ASSI { 5261}
     (segid "    " and resid "80  " and name "HB2 ")
     (segid "    " and resid "80  " and name "HD1 ")
      2.800     1.000     1.000 peak  5261 weight  0.10000E+01 volume  0.99400E+00 ppm1      2.521 ppm2      6.935
 ASSI { 5346}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "84  " and name "HG21")
      2.300     0.700     0.700 peak  5346 weight  0.10000E+01 volume  0.29640E+01 ppm1      2.137 ppm2      0.795
 OR { 5346}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 5346}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "84  " and name "HG22")
 ASSI { 4962}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD22")
      2.700     0.900     0.900 peak  4962 weight  0.10000E+01 volume  0.10970E+01 ppm1      2.791 ppm2      0.790
 OR { 4962}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 4962}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD21")
 ASSI { 4971}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD11")
      2.900     1.100     1.100 peak  4971 weight  0.10000E+01 volume  0.72600E+00 ppm1      1.084 ppm2      0.895
 OR { 4971}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 4971}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD13")
 ASSI { 6992}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HB1 ")
      2.900     1.100     1.100 peak  6992 weight  0.10000E+01 volume  0.22400E+00 ppm1      2.479 ppm2      1.458
 ASSI { 4958}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HA  ")
      2.800     1.000     1.000 peak  4958 weight  0.10000E+01 volume  0.66900E+00 ppm1      2.790 ppm2      4.357
 ASSI { 5104}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HA  ")
      2.700     0.900     0.900 peak  5104 weight  0.10000E+01 volume  0.78300E+00 ppm1      3.184 ppm2      4.904
 ASSI { 3755}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "79  " and name "HD1 ")
      2.700     0.900     0.900 peak  3755 weight  0.10000E+01 volume  0.10260E+01 ppm1      1.997 ppm2      6.940
 ASSI { 7503}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "100 " and name "HG21")
      3.600     1.600     1.600 peak  7503 weight  0.10000E+01 volume  0.18900E+00 ppm1      2.448 ppm2      0.943
 OR { 7503}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 7503}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "100 " and name "HG22")
 ASSI { 5067}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HA  ")
      3.000     1.100     1.100 peak  5067 weight  0.10000E+01 volume  0.41400E+00 ppm1      3.015 ppm2      5.163
 OR { 5067}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI { 5552}
     (segid "    " and resid "97  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HA  ")
      3.400     1.400     1.400 peak  5552 weight  0.10000E+01 volume  0.19400E+00 ppm1      2.366 ppm2      5.267
 ASSI { 5554}
     (segid "    " and resid "97  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD21")
      2.800     1.000     1.000 peak  5554 weight  0.10000E+01 volume  0.93300E+00 ppm1      2.362 ppm2      0.727
 OR { 5554}
     (segid "    " and resid "97  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD23")
 OR { 5554}
     (segid "    " and resid "97  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD22")
 ASSI { 4661}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "98  " and name "HG12")
      2.800     1.000     1.000 peak  4661 weight  0.10000E+01 volume  0.81400E+00 ppm1      2.665 ppm2      1.070
 OR { 4661}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "98  " and name "HG12")
 OR { 4661}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "98  " and name "HG11")
 OR { 4661}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "98  " and name "HG11")
 ASSI { 5638}
     (segid "    " and resid "107 " and name "HB1 ")
     (segid "    " and resid "107 " and name "HA  ")
      2.600     0.800     0.800 peak  5638 weight  0.10000E+01 volume  0.10570E+01 ppm1      3.471 ppm2      4.798
 ASSI { 4769}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "31  " and name "HB2 ")
      2.600     0.800     0.800 peak  4769 weight  0.10000E+01 volume  0.45000E+00 ppm1      1.492 ppm2      2.911
 ASSI { 4768}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "41  " and name "HA  ")
      2.700     0.900     0.900 peak  4768 weight  0.10000E+01 volume  0.84600E+00 ppm1      1.490 ppm2      4.401
 ASSI { 4770}
     (segid "    " and resid "41  " and name "HB  ")
     (segid "    " and resid "31  " and name "HB1 ")
      2.300     0.700     0.700 peak  4770 weight  0.10000E+01 volume  0.91700E+00 ppm1      1.486 ppm2      2.643
 ASSI { 5234}
     (segid "    " and resid "77  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD21")
      2.600     0.800     0.800 peak  5234 weight  0.10000E+01 volume  0.13420E+01 ppm1      1.274 ppm2      0.318
 OR { 5234}
     (segid "    " and resid "77  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD23")
 OR { 5234}
     (segid "    " and resid "77  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HD22")
 OR { 5234}
     (segid "    " and resid "77  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HD21")
 OR { 5234}
     (segid "    " and resid "77  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HD23")
 ASSI { 4347}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD22")
      2.400     0.700     0.700 peak  4347 weight  0.10000E+01 volume  0.22810E+01 ppm1      1.358 ppm2      0.761
 OR { 4347}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD21")
 OR { 4347}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD12")
 OR { 4347}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 4347}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD11")
 ASSI { 5173}
     (segid "    " and resid "62  " and name "HA2 ")
     (segid "    " and resid "79  " and name "HE2 ")
      4.000     2.000     2.000 peak  5173 weight  0.10000E+01 volume  0.24100E+00 ppm1      3.069 ppm2      6.666
 ASSI { 4188}
     (segid "    " and resid "2   " and name "HA1 ")
     (segid "    " and resid "106 " and name "HE2 ")
      4.200     2.200     1.800 peak  4188 weight  0.10000E+01 volume  0.18100E+00 ppm1      4.379 ppm2      6.696
 OR { 4188}
     (segid "    " and resid "2   " and name "HA1 ")
     (segid "    " and resid "106 " and name "HD2 ")
 ASSI { 4732}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HD2 ")
      3.300     1.400     1.400 peak  4732 weight  0.10000E+01 volume  0.35100E+00 ppm1      1.653 ppm2      6.943
 ASSI { 5490}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "14  " and name "HA  ")
      3.000     1.100     1.100 peak  5490 weight  0.10000E+01 volume  0.10990E+01 ppm1      3.793 ppm2      4.517
 ASSI { 5499}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HG22")
      3.300     1.400     1.400 peak  5499 weight  0.10000E+01 volume  0.75200E+00 ppm1      3.048 ppm2      0.780
 OR { 5499}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 5499}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 4211}
     (segid "    " and resid "3   " and name "HD1 ")
     (segid "    " and resid "2   " and name "HA1 ")
      2.400     0.700     0.700 peak  4211 weight  0.10000E+01 volume  0.15510E+01 ppm1      3.581 ppm2      4.374
 ASSI { 7406}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HB1 ")
      2.700     0.900     0.900 peak  7406 weight  0.10000E+01 volume  0.38000E+00 ppm1      3.580 ppm2      2.236
 ASSI { 4251}
     (segid "    " and resid "5   " and name "HD1 ")
     (segid "    " and resid "4   " and name "HE2 ")
      2.900     1.100     1.100 peak  4251 weight  0.10000E+01 volume  0.56300E+00 ppm1      3.863 ppm2      2.119
 OR { 4251}
     (segid "    " and resid "5   " and name "HD1 ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 4251}
     (segid "    " and resid "5   " and name "HD1 ")
     (segid "    " and resid "4   " and name "HE3 ")
 ASSI { 4221}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HB2 ")
      2.800     1.000     1.000 peak  4221 weight  0.10000E+01 volume  0.68500E+00 ppm1      5.052 ppm2      1.765
 ASSI { 6768}
     (segid "    " and resid "34  " and name "HD2 ")
     (segid "    " and resid "34  " and name "HB1 ")
      3.000     1.100     1.100 peak  6768 weight  0.10000E+01 volume  0.17500E+00 ppm1      3.226 ppm2      2.119
 ASSI { 4607}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB2 ")
      2.600     0.800     0.800 peak  4607 weight  0.10000E+01 volume  0.31910E+01 ppm1      4.558 ppm2      1.397
 OR { 4607}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 4607}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB3 ")
 ASSI { 4344}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "12  " and name "HB1 ")
      2.300     0.700     0.700 peak  4344 weight  0.10000E+01 volume  0.20920E+01 ppm1      5.265 ppm2      1.343
 OR { 4344}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG  ")
 ASSI { 4363}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "13  " and name "HB2 ")
      2.700     0.900     0.900 peak  4363 weight  0.10000E+01 volume  0.77500E+00 ppm1      5.087 ppm2      3.369
 ASSI { 4362}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "13  " and name "HB1 ")
      2.800     1.000     1.000 peak  4362 weight  0.10000E+01 volume  0.67300E+00 ppm1      5.088 ppm2      4.101
 ASSI { 4381}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG12")
      3.200     1.300     1.300 peak  4381 weight  0.10000E+01 volume  0.48400E+00 ppm1      4.519 ppm2      0.550
 OR { 4381}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 4381}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 4652}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB2 ")
      2.400     0.700     0.700 peak  4652 weight  0.10000E+01 volume  0.17830E+01 ppm1      4.840 ppm2      2.669
 OR { 4652}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB1 ")
 ASSI { 4263}
     (segid "    " and resid "7   " and name "HA  ")
     (segid "    " and resid "7   " and name "HB2 ")
      2.400     0.700     0.700 peak  4263 weight  0.10000E+01 volume  0.17630E+01 ppm1      3.862 ppm2      0.881
 OR { 4263}
     (segid "    " and resid "7   " and name "HA  ")
     (segid "    " and resid "7   " and name "HG  ")
 ASSI { 4302}
     (segid "    " and resid "10  " and name "HA  ")
     (segid "    " and resid "99  " and name "HA  ")
      2.600     0.800     0.800 peak  4302 weight  0.10000E+01 volume  0.22560E+01 ppm1      5.208 ppm2      4.604
 ASSI { 4541}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "90  " and name "HG21")
      3.800     1.800     1.800 peak  4541 weight  0.10000E+01 volume  0.28700E+00 ppm1      4.933 ppm2      1.018
 OR { 4541}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "90  " and name "HG23")
 OR { 4541}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "90  " and name "HG22")
 ASSI { 5190}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "77  " and name "HD21")
      4.300     2.300     1.700 peak  5190 weight  0.10000E+01 volume  0.17200E+00 ppm1      5.233 ppm2      0.307
 OR { 5190}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "77  " and name "HD22")
 OR { 5190}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "77  " and name "HD23")
 ASSI { 3760}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB2 ")
      2.800     1.000     1.000 peak  3760 weight  0.10000E+01 volume  0.68300E+00 ppm1      5.393 ppm2      3.134
 ASSI { 5620}
     (segid "    " and resid "106 " and name "HA  ")
     (segid "    " and resid "3   " and name "HB1 ")
      3.300     1.400     1.400 peak  5620 weight  0.10000E+01 volume  0.25000E+00 ppm1      4.502 ppm2      2.104
 ASSI { 4876}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "48  " and name "HB1 ")
      2.500     0.800     0.800 peak  4876 weight  0.10000E+01 volume  0.12180E+01 ppm1      4.897 ppm2      2.481
 ASSI { 5621}
     (segid "    " and resid "99  " and name "HA  ")
     (segid "    " and resid "99  " and name "HB2 ")
      3.200     1.300     1.300 peak  5621 weight  0.10000E+01 volume  0.32100E+00 ppm1      4.502 ppm2      1.874
 OR { 5621}
     (segid "    " and resid "99  " and name "HA  ")
     (segid "    " and resid "99  " and name "HB1 ")
 ASSI { 5110}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB1 ")
      2.100     0.600     0.600 peak  5110 weight  0.10000E+01 volume  0.34380E+01 ppm1      4.486 ppm2      2.846
 OR { 5110}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 5428}
     (segid "    " and resid "87  " and name "HA  ")
     (segid "    " and resid "25  " and name "HA  ")
      2.500     0.800     0.800 peak  5428 weight  0.10000E+01 volume  0.29430E+01 ppm1      4.227 ppm2      5.293
 ASSI { 6789}
     (segid "    " and resid "37  " and name "HA  ")
     (segid "    " and resid "37  " and name "HB2 ")
      2.700     0.900     0.900 peak  6789 weight  0.10000E+01 volume  0.91300E+00 ppm1      4.303 ppm2      1.480
 ASSI { 5328}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "82  " and name "HB2 ")
      2.400     0.700     0.700 peak  5328 weight  0.10000E+01 volume  0.16460E+01 ppm1      2.879 ppm2      1.772
 ASSI { 5342}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG11")
      3.700     1.700     1.700 peak  5342 weight  0.10000E+01 volume  0.39700E+00 ppm1      4.336 ppm2      0.505
 OR { 5342}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 5342}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 5340}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "84  " and name "HG23")
      2.600     0.800     0.800 peak  5340 weight  0.10000E+01 volume  0.33260E+01 ppm1      4.337 ppm2      0.794
 OR { 5340}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "84  " and name "HG22")
 ASSI { 5136}
     (segid "    " and resid "81  " and name "HA  ")
     (segid "    " and resid "81  " and name "HB2 ")
      2.600     0.800     0.800 peak  5136 weight  0.10000E+01 volume  0.10250E+01 ppm1      4.631 ppm2      1.859
 OR { 5136}
     (segid "    " and resid "81  " and name "HA  ")
     (segid "    " and resid "81  " and name "HG1 ")
 ASSI { 5511}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG12")
      2.400     0.700     0.700 peak  5511 weight  0.10000E+01 volume  0.59430E+01 ppm1      4.020 ppm2      0.707
 OR { 5511}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 5511}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG11")
 OR { 5511}
     (segid "    " and resid "96  " and name "HA  ")
     (segid "    " and resid "96  " and name "HG23")
 ASSI { 5472}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "93  " and name "HB2 ")
      2.300     0.700     0.700 peak  5472 weight  0.10000E+01 volume  0.20230E+01 ppm1      4.163 ppm2      1.722
 ASSI { 5474}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG22")
      3.300     1.400     1.400 peak  5474 weight  0.10000E+01 volume  0.75700E+00 ppm1      4.164 ppm2      0.777
 OR { 5474}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 5474}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 4192}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "106 " and name "HA  ")
      2.800     1.000     1.000 peak  4192 weight  0.10000E+01 volume  0.15810E+01 ppm1      4.098 ppm2      4.510
 ASSI { 4881}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "63  " and name "HA2 ")
      3.300     1.400     1.400 peak  4881 weight  0.10000E+01 volume  0.62600E+00 ppm1      4.377 ppm2      4.726
 ASSI { 5191}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HE1 ")
      2.900     1.100     1.100 peak  5191 weight  0.10000E+01 volume  0.69100E+00 ppm1      3.829 ppm2      7.129
 OR { 5191}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HE1 ")
 ASSI { 4941}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HD2 ")
      2.600     0.800     0.800 peak  4941 weight  0.10000E+01 volume  0.39900E+00 ppm1      3.617 ppm2      1.196
 OR { 4941}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 4935}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HD2 ")
      2.700     0.900     0.900 peak  4935 weight  0.10000E+01 volume  0.33100E+00 ppm1      3.955 ppm2      1.217
 OR { 4935}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 4934}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HD2 ")
      2.500     0.800     0.800 peak  4934 weight  0.10000E+01 volume  0.59200E+00 ppm1      3.961 ppm2      1.514
 OR { 4934}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 5170}
     (segid "    " and resid "100 " and name "HB  ")
     (segid "    " and resid "104 " and name "HB2 ")
      2.800     1.000     1.000 peak  5170 weight  0.10000E+01 volume  0.37000E+00 ppm1      4.615 ppm2      2.468
 ASSI { 4353}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HA  ")
      3.400     1.400     1.400 peak  4353 weight  0.10000E+01 volume  0.67000E+00 ppm1      0.794 ppm2      4.240
 OR { 4353}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 4353}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI { 3724}
     (segid "    " and resid "31  " and name "HE2 ")
     (segid "    " and resid "31  " and name "HD2 ")
      2.600     0.800     0.800 peak  3724 weight  0.10000E+01 volume  0.41620E+01 ppm1      6.932 ppm2      7.397
 OR { 3724}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "31  " and name "HD1 ")
 ASSI { 5609}
     (segid "    " and resid "103 " and name "HD1 ")
     (segid "    " and resid "103 " and name "HB1 ")
      2.800     1.000     1.000 peak  5609 weight  0.10000E+01 volume  0.90200E+00 ppm1      7.109 ppm2      3.080
 ASSI { 4800}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "41  " and name "HG12")
      2.200     0.600     0.600 peak  4800 weight  0.10000E+01 volume  0.42680E+01 ppm1      0.293 ppm2      0.778
 OR { 4800}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "41  " and name "HG12")
 OR { 4800}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "41  " and name "HG12")
 ASSI { 4796}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "80  " and name "HB2 ")
      3.100     1.200     1.200 peak  4796 weight  0.10000E+01 volume  0.45000E+00 ppm1      0.291 ppm2      2.510
 OR { 4796}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "80  " and name "HB2 ")
 OR { 4796}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "80  " and name "HB2 ")
 ASSI { 3769}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HD1 ")
      3.000     1.100     1.100 peak  3769 weight  0.10000E+01 volume  0.18410E+01 ppm1      6.839 ppm2      7.357
 OR { 3769}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 6253}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "105 " and name "HB2 ")
      3.200     1.300     1.300 peak  6253 weight  0.10000E+01 volume  0.38500E+00 ppm1      7.072 ppm2      2.717
 OR { 6253}
     (segid "    " and resid "105 " and name "HD1 ")
     (segid "    " and resid "105 " and name "HB2 ")
 ASSI { 4527}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "13  " and name "HA  ")
      3.000     1.100     1.100 peak  4527 weight  0.10000E+01 volume  0.14490E+01 ppm1      0.519 ppm2      5.090
 OR { 4527}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "13  " and name "HA  ")
 OR { 4527}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "13  " and name "HA  ")
 ASSI { 6696}
     (segid "    " and resid "32  " and name "HE3 ")
     (segid "    " and resid "32  " and name "HA  ")
      4.200     2.200     1.800 peak  6696 weight  0.10000E+01 volume  0.19200E+00 ppm1      1.968 ppm2      4.512
 OR { 6696}
     (segid "    " and resid "32  " and name "HE2 ")
     (segid "    " and resid "32  " and name "HA  ")
 OR { 6696}
     (segid "    " and resid "32  " and name "HE1 ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 5413}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "85  " and name "HB  ")
      2.400     0.700     0.700 peak  5413 weight  0.10000E+01 volume  0.23500E+01 ppm1      0.849 ppm2      1.815
 OR { 5413}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "85  " and name "HB  ")
 OR { 5413}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "85  " and name "HB  ")
 ASSI { 5405}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "80  " and name "HE1 ")
      3.000     1.100     1.100 peak  5405 weight  0.10000E+01 volume  0.19260E+01 ppm1      0.850 ppm2      6.963
 OR { 5405}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "80  " and name "HE1 ")
 OR { 5405}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 4604}
     (segid "    " and resid "26  " and name "HG23")
     (segid "    " and resid "26  " and name "HB  ")
      2.200     0.600     0.600 peak  4604 weight  0.10000E+01 volume  0.34720E+01 ppm1      0.840 ppm2      1.795
 OR { 4604}
     (segid "    " and resid "26  " and name "HG22")
     (segid "    " and resid "26  " and name "HB  ")
 OR { 4604}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "26  " and name "HB  ")
 ASSI { 4696}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HA  ")
      2.700     0.900     0.900 peak  4696 weight  0.10000E+01 volume  0.27320E+01 ppm1      1.322 ppm2      4.037
 OR { 4696}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "33  " and name "HA  ")
 OR { 4696}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HA  ")
 ASSI { 5568}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "16  " and name "HA  ")
      2.800     1.000     1.000 peak  5568 weight  0.10000E+01 volume  0.18930E+01 ppm1      0.905 ppm2      3.916
 OR { 5568}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 5568}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 6834}
     (segid "    " and resid "40  " and name "HG23")
     (segid "    " and resid "42  " and name "HD2 ")
      4.600     2.600     1.400 peak  6834 weight  0.10000E+01 volume  0.14300E+00 ppm1      1.231 ppm2      7.218
 OR { 6834}
     (segid "    " and resid "40  " and name "HG21")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 6834}
     (segid "    " and resid "40  " and name "HG22")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 4277}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "7   " and name "HA  ")
      2.600     0.800     0.800 peak  4277 weight  0.10000E+01 volume  0.33500E+01 ppm1      0.530 ppm2      3.863
 OR { 4277}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 4277}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "7   " and name "HA  ")
 ASSI { 4747}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "64  " and name "HA  ")
      3.400     1.400     1.400 peak  4747 weight  0.10000E+01 volume  0.60900E+00 ppm1      0.895 ppm2      5.236
 OR { 4747}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 7604}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HD1 ")
      2.800     1.000     1.000 peak  7604 weight  0.10000E+01 volume  0.29300E+00 ppm1     -0.790 ppm2      1.143
 ASSI { 7610}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "52  " and name "HB1 ")
      2.600     0.800     0.800 peak  7610 weight  0.10000E+01 volume  0.45600E+00 ppm1      0.390 ppm2      1.652
 OR { 7610}
     (segid "    " and resid "52  " and name "HG1 ")
     (segid "    " and resid "52  " and name "HE1 ")
 ASSI { 1336}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "105 " and name "HD1 ")
      3.500     1.500     1.500 peak  1336 weight  0.10000E+01 volume  0.22200E+00 ppm1      1.599 ppm2      7.077
 OR { 1336}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "105 " and name "HD2 ")
 ASSI { 5003}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HB1 ")
      2.100     0.600     0.600 peak  5003 weight  0.10000E+01 volume  0.14140E+01 ppm1      1.362 ppm2      1.925
 OR { 5003}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 5582}
     (segid "    " and resid "99  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HA  ")
      3.600     1.600     1.600 peak  5582 weight  0.10000E+01 volume  0.14100E+00 ppm1      1.608 ppm2      5.206
 OR { 5582}
     (segid "    " and resid "99  " and name "HG1 ")
     (segid "    " and resid "10  " and name "HA  ")
 ASSI { 5583}
     (segid "    " and resid "99  " and name "HG2 ")
     (segid "    " and resid "99  " and name "HA  ")
      2.600     0.800     0.800 peak  5583 weight  0.10000E+01 volume  0.11140E+01 ppm1      1.612 ppm2      4.607
 OR { 5583}
     (segid "    " and resid "99  " and name "HG1 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 5041}
     (segid "    " and resid "58  " and name "HG2 ")
     (segid "    " and resid "58  " and name "HA  ")
      3.100     1.200     1.200 peak  5041 weight  0.10000E+01 volume  0.35200E+00 ppm1      1.405 ppm2      4.300
 ASSI { 4298}
     (segid "    " and resid "58  " and name "HG1 ")
     (segid "    " and resid "58  " and name "HD2 ")
      2.000     0.500     0.500 peak  4298 weight  0.10000E+01 volume  0.21470E+01 ppm1      1.746 ppm2      3.230
 OR { 4298}
     (segid "    " and resid "58  " and name "HG1 ")
     (segid "    " and resid "58  " and name "HD1 ")
 ASSI { 5044}
     (segid "    " and resid "58  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HD21")
      3.500     1.500     1.500 peak  5044 weight  0.10000E+01 volume  0.21600E+00 ppm1      1.403 ppm2      0.659
 OR { 5044}
     (segid "    " and resid "58  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HD13")
 OR { 5044}
     (segid "    " and resid "58  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HD23")
 OR { 5044}
     (segid "    " and resid "58  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HD11")
 ASSI { 4299}
     (segid "    " and resid "58  " and name "HG1 ")
     (segid "    " and resid "58  " and name "HB1 ")
      2.300     0.700     0.700 peak  4299 weight  0.10000E+01 volume  0.10060E+01 ppm1      1.751 ppm2      2.106
 ASSI { 4496}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "21  " and name "HB2 ")
      2.300     0.700     0.700 peak  4496 weight  0.10000E+01 volume  0.95000E+00 ppm1      1.401 ppm2      1.000
 ASSI { 4486}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "21  " and name "HD2 ")
      2.300     0.700     0.700 peak  4486 weight  0.10000E+01 volume  0.89800E+00 ppm1      1.733 ppm2      3.382
 ASSI { 5054}
     (segid "    " and resid "77  " and name "HG  ")
     (segid "    " and resid "77  " and name "HD21")
      2.500     0.800     0.800 peak  5054 weight  0.10000E+01 volume  0.17770E+01 ppm1      1.296 ppm2      0.315
 OR { 5054}
     (segid "    " and resid "77  " and name "HG  ")
     (segid "    " and resid "77  " and name "HD23")
 OR { 5054}
     (segid "    " and resid "77  " and name "HG  ")
     (segid "    " and resid "77  " and name "HD22")
 ASSI { 4778}
     (segid "    " and resid "41  " and name "HG12")
     (segid "    " and resid "41  " and name "HA  ")
      2.600     0.800     0.800 peak  4778 weight  0.10000E+01 volume  0.96600E+00 ppm1      0.776 ppm2      4.401
 ASSI { 4247}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "5   " and name "HD1 ")
      2.400     0.700     0.700 peak  4247 weight  0.10000E+01 volume  0.66900E+00 ppm1      1.868 ppm2      3.871
 ASSI { 4243}
     (segid "    " and resid "5   " and name "HG1 ")
     (segid "    " and resid "5   " and name "HD1 ")
      2.400     0.700     0.700 peak  4243 weight  0.10000E+01 volume  0.71100E+00 ppm1      1.970 ppm2      3.871
 OR { 4243}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "5   " and name "HD1 ")
 ASSI { 5602}
     (segid "    " and resid "103 " and name "HB2 ")
     (segid "    " and resid "103 " and name "HA  ")
      2.700     0.900     0.900 peak  5602 weight  0.10000E+01 volume  0.93200E+00 ppm1      3.264 ppm2      4.355
 ASSI { 4512}
     (segid "    " and resid "22  " and name "HG12")
     (segid "    " and resid "22  " and name "HA  ")
      3.200     1.300     1.300 peak  4512 weight  0.10000E+01 volume  0.30900E+00 ppm1      0.598 ppm2      4.349
 ASSI { 5039}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HG2 ")
      2.200     0.600     0.600 peak  5039 weight  0.10000E+01 volume  0.10410E+01 ppm1      1.939 ppm2      1.408
 ASSI { 5035}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "58  " and name "HA  ")
      2.400     0.700     0.700 peak  5035 weight  0.10000E+01 volume  0.17080E+01 ppm1      2.107 ppm2      4.301
 ASSI { 4806}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HG1 ")
      2.600     0.800     0.800 peak  4806 weight  0.10000E+01 volume  0.45700E+00 ppm1      3.190 ppm2      2.457
 OR { 4806}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HG2 ")
 ASSI { 4809}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HG1 ")
      2.500     0.800     0.800 peak  4809 weight  0.10000E+01 volume  0.51900E+00 ppm1      2.874 ppm2      2.448
 OR { 4809}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HG2 ")
 ASSI { 4475}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD1 ")
      3.400     1.400     1.400 peak  4475 weight  0.10000E+01 volume  0.28800E+00 ppm1      0.999 ppm2      6.931
 OR { 4475}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD2 ")
 ASSI { 4482}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HG1 ")
      2.400     0.700     0.700 peak  4482 weight  0.10000E+01 volume  0.72300E+00 ppm1      0.999 ppm2      1.728
 ASSI { 4481}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HB1 ")
      2.700     0.900     0.900 peak  4481 weight  0.10000E+01 volume  0.34100E+00 ppm1      0.998 ppm2      2.473
 ASSI { 4479}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HD2 ")
      2.700     0.900     0.900 peak  4479 weight  0.10000E+01 volume  0.36500E+00 ppm1      1.001 ppm2      3.357
 ASSI { 4480}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HB2 ")
      2.900     1.100     1.100 peak  4480 weight  0.10000E+01 volume  0.20500E+00 ppm1      1.006 ppm2      3.187
 ASSI { 4888}
     (segid "    " and resid "49  " and name "HB  ")
     (segid "    " and resid "49  " and name "HG13")
      2.300     0.700     0.700 peak  4888 weight  0.10000E+01 volume  0.24900E+01 ppm1      2.515 ppm2      0.685
 OR { 4888}
     (segid "    " and resid "49  " and name "HB  ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 4888}
     (segid "    " and resid "49  " and name "HB  ")
     (segid "    " and resid "49  " and name "HG12")
 ASSI { 4199}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HA  ")
      2.400     0.700     0.700 peak  4199 weight  0.10000E+01 volume  0.16650E+01 ppm1      2.100 ppm2      4.093
 ASSI { 4202}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HG1 ")
      2.100     0.600     0.600 peak  4202 weight  0.10000E+01 volume  0.17600E+01 ppm1      2.127 ppm2      1.507
 ASSI { 4420}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HB1 ")
      2.000     0.500     0.500 peak  4420 weight  0.10000E+01 volume  0.18360E+01 ppm1      2.486 ppm2      3.253
 ASSI { 4951}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HD2 ")
      2.800     1.000     1.000 peak  4951 weight  0.10000E+01 volume  0.27300E+00 ppm1      1.653 ppm2      0.994
 ASSI { 6568}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HE2 ")
      3.400     1.400     1.400 peak  6568 weight  0.10000E+01 volume  0.82000E-01 ppm1      1.711 ppm2      2.935
 OR { 6568}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HE1 ")
 ASSI { 4864}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "47  " and name "HG12")
      2.000     0.500     0.500 peak  4864 weight  0.10000E+01 volume  0.59520E+01 ppm1      1.543 ppm2      0.480
 OR { 4864}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "47  " and name "HG23")
 OR { 4864}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "47  " and name "HG21")
 OR { 4864}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "47  " and name "HG11")
 OR { 4864}
     (segid "    " and resid "47  " and name "HB  ")
     (segid "    " and resid "47  " and name "HG22")
 ASSI { 4313}
     (segid "    " and resid "10  " and name "HB2 ")
     (segid "    " and resid "10  " and name "HA  ")
      2.900     1.100     1.100 peak  4313 weight  0.10000E+01 volume  0.57300E+00 ppm1      1.579 ppm2      5.214
 ASSI { 4552}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "98  " and name "HG12")
      2.200     0.600     0.600 peak  4552 weight  0.10000E+01 volume  0.34660E+01 ppm1      1.914 ppm2      1.063
 OR { 4552}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "98  " and name "HG11")
 OR { 4552}
     (segid "    " and resid "98  " and name "HB  ")
     (segid "    " and resid "98  " and name "HG13")
 ASSI { 4332}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HG2 ")
      2.300     0.700     0.700 peak  4332 weight  0.10000E+01 volume  0.93400E+00 ppm1      1.533 ppm2      1.179
 OR { 4332}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HG2 ")
 ASSI { 4335}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HB2 ")
      2.900     1.100     1.100 peak  4335 weight  0.10000E+01 volume  0.24300E+00 ppm1      1.536 ppm2      3.614
 ASSI { 5255}
     (segid "    " and resid "80  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HD2 ")
      2.700     0.900     0.900 peak  5255 weight  0.10000E+01 volume  0.12450E+01 ppm1      3.474 ppm2      6.934
 ASSI { 5349}
     (segid "    " and resid "87  " and name "HG2 ")
     (segid "    " and resid "87  " and name "HA  ")
      2.500     0.800     0.800 peak  5349 weight  0.10000E+01 volume  0.12250E+01 ppm1      2.163 ppm2      4.231
 ASSI { 5357}
     (segid "    " and resid "87  " and name "HG2 ")
     (segid "    " and resid "61  " and name "HH2 ")
      3.600     1.600     1.600 peak  5357 weight  0.10000E+01 volume  0.19200E+00 ppm1      2.172 ppm2      7.141
 ASSI { 5350}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "23  " and name "HB2 ")
      2.700     0.900     0.900 peak  5350 weight  0.10000E+01 volume  0.34000E+00 ppm1      2.495 ppm2      3.807
 OR { 5350}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "23  " and name "HB1 ")
 ASSI { 5212}
     (segid "    " and resid "70  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HD1 ")
      2.600     0.800     0.800 peak  5212 weight  0.10000E+01 volume  0.13980E+01 ppm1      2.830 ppm2      7.011
 OR { 5212}
     (segid "    " and resid "70  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HD2 ")
 ASSI { 4972}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD22")
      2.900     1.100     1.100 peak  4972 weight  0.10000E+01 volume  0.70400E+00 ppm1      1.083 ppm2      0.789
 OR { 4972}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD21")
 OR { 4972}
     (segid "    " and resid "53  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD23")
 ASSI { 4100}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HE1 ")
      2.800     1.000     1.000 peak  4100 weight  0.10000E+01 volume  0.85500E+00 ppm1      2.478 ppm2      7.128
 ASSI { 4097}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD2 ")
      2.900     1.100     1.100 peak  4097 weight  0.10000E+01 volume  0.80000E+00 ppm1      3.186 ppm2      6.924
 OR { 4097}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 4504}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "49  " and name "HB  ")
      2.700     0.900     0.900 peak  4504 weight  0.10000E+01 volume  0.34200E+00 ppm1      1.272 ppm2      2.511
 ASSI { 4505}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG11")
      2.400     0.700     0.700 peak  4505 weight  0.10000E+01 volume  0.65500E+00 ppm1      1.271 ppm2      1.775
 ASSI { 5537}
     (segid "    " and resid "102 " and name "HE2 ")
     (segid "    " and resid "103 " and name "HE3 ")
      3.400     1.400     1.400 peak  5537 weight  0.10000E+01 volume  0.30300E+00 ppm1      2.337 ppm2      6.993
 OR { 5537}
     (segid "    " and resid "102 " and name "HE2 ")
     (segid "    " and resid "103 " and name "HH2 ")
 OR { 5537}
     (segid "    " and resid "102 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HE3 ")
 OR { 5537}
     (segid "    " and resid "102 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HH2 ")
 ASSI { 5617}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "104 " and name "HA  ")
      2.700     0.900     0.900 peak  5617 weight  0.10000E+01 volume  0.82000E+00 ppm1      2.451 ppm2      4.300
 ASSI { 3701}
     (segid "    " and resid "102 " and name "HE2 ")
     (segid "    " and resid "103 " and name "HD1 ")
      3.700     1.700     1.700 peak  3701 weight  0.10000E+01 volume  0.15700E+00 ppm1      2.338 ppm2      7.106
 OR { 3701}
     (segid "    " and resid "102 " and name "HE2 ")
     (segid "    " and resid "103 " and name "HE3 ")
 OR { 3701}
     (segid "    " and resid "102 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HD1 ")
 OR { 3701}
     (segid "    " and resid "102 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HE3 ")
 ASSI { 5598}
     (segid "    " and resid "102 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HB2 ")
      2.400     0.700     0.700 peak  5598 weight  0.10000E+01 volume  0.75500E+00 ppm1      2.332 ppm2      1.365
 OR { 5598}
     (segid "    " and resid "102 " and name "HE2 ")
     (segid "    " and resid "102 " and name "HB2 ")
 ASSI { 7618}
     (segid "    " and resid "52  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HD1 ")
      2.500     0.800     0.800 peak  7618 weight  0.10000E+01 volume  0.49500E+00 ppm1      1.637 ppm2      1.154
 ASSI { 7624}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "52  " and name "HD1 ")
      2.600     0.800     0.800 peak  7624 weight  0.10000E+01 volume  0.47300E+00 ppm1      0.212 ppm2      1.165
 ASSI { 7627}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "22  " and name "HD11")
      3.300     1.400     1.400 peak  7627 weight  0.10000E+01 volume  0.27800E+00 ppm1      0.205 ppm2      0.516
 OR { 7627}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 7627}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 5456}
     (segid "    " and resid "91  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HA  ")
      2.600     0.800     0.800 peak  5456 weight  0.10000E+01 volume  0.10280E+01 ppm1      1.442 ppm2      4.371
 OR { 5456}
     (segid "    " and resid "91  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HA  ")
 ASSI { 4726}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HB1 ")
      2.200     0.600     0.600 peak  4726 weight  0.10000E+01 volume  0.11920E+01 ppm1      3.128 ppm2      3.784
 ASSI { 4645}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD22")
      2.100     0.600     0.600 peak  4645 weight  0.10000E+01 volume  0.47070E+01 ppm1      1.618 ppm2      0.782
 OR { 4645}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 4645}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 4645}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 4645}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 4645}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD13")
 OR { 4645}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 6631}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HG2 ")
      2.800     1.000     1.000 peak  6631 weight  0.10000E+01 volume  0.27700E+00 ppm1      1.612 ppm2      2.237
 OR { 6631}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 6631}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 6631}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 5230}
     (segid "    " and resid "77  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HA  ")
      2.400     0.700     0.700 peak  5230 weight  0.10000E+01 volume  0.16790E+01 ppm1      1.279 ppm2      4.688
 OR { 5230}
     (segid "    " and resid "77  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HA  ")
 ASSI { 6346}
     (segid "    " and resid "12  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD12")
      2.400     0.700     0.700 peak  6346 weight  0.10000E+01 volume  0.22540E+01 ppm1      1.510 ppm2      0.707
 OR { 6346}
     (segid "    " and resid "12  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD11")
 OR { 6346}
     (segid "    " and resid "12  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HD13")
 ASSI { 2968}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HB2 ")
      2.800     1.000     1.000 peak  2968 weight  0.10000E+01 volume  0.26900E+00 ppm1      2.560 ppm2      1.492
 ASSI { 4736}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HA  ")
      2.800     1.000     1.000 peak  4736 weight  0.10000E+01 volume  0.66500E+00 ppm1      1.454 ppm2      4.648
 ASSI { 4737}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HD12")
      3.300     1.400     1.400 peak  4737 weight  0.10000E+01 volume  0.34300E+00 ppm1      1.455 ppm2      0.299
 OR { 4737}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HD11")
 OR { 4737}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HD13")
 ASSI { 4733}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HA  ")
      2.700     0.900     0.900 peak  4733 weight  0.10000E+01 volume  0.80000E+00 ppm1      1.655 ppm2      4.650
 ASSI { 5326}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD13")
      3.200     1.300     1.300 peak  5326 weight  0.10000E+01 volume  0.39200E+00 ppm1      2.694 ppm2      0.661
 OR { 5326}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 5326}
     (segid "    " and resid "81  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD11")
 ASSI { 5307}
     (segid "    " and resid "81  " and name "HD1 ")
     (segid "    " and resid "80  " and name "HA  ")
      2.600     0.800     0.800 peak  5307 weight  0.10000E+01 volume  0.94500E+00 ppm1      3.407 ppm2      5.254
 ASSI {  978}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "90  " and name "HG22")
      3.500     1.500     1.500 peak   978 weight  0.10000E+01 volume  0.23200E+00 ppm1      3.683 ppm2      1.031
 OR {  978}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "90  " and name "HG21")
 OR {  978}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "90  " and name "HG23")
 ASSI { 4252}
     (segid "    " and resid "5   " and name "HD1 ")
     (segid "    " and resid "5   " and name "HB2 ")
      2.800     1.000     1.000 peak  4252 weight  0.10000E+01 volume  0.29600E+00 ppm1      3.866 ppm2      1.521
 ASSI { 6291}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "57  " and name "HA2 ")
      4.300     2.300     1.700 peak  6291 weight  0.10000E+01 volume  0.13000E+00 ppm1      4.279 ppm2      3.544
 ASSI { 4387}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HB1 ")
      2.500     0.800     0.800 peak  4387 weight  0.10000E+01 volume  0.11870E+01 ppm1      4.655 ppm2      2.937
 ASSI { 4447}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HB2 ")
      2.700     0.900     0.900 peak  4447 weight  0.10000E+01 volume  0.78800E+00 ppm1      4.985 ppm2      2.739
 ASSI { 4338}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "97  " and name "HA  ")
      2.700     0.900     0.900 peak  4338 weight  0.10000E+01 volume  0.19670E+01 ppm1      5.266 ppm2      5.086
 ASSI { 4646}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB1 ")
      2.200     0.600     0.600 peak  4646 weight  0.10000E+01 volume  0.30370E+01 ppm1      4.545 ppm2      2.237
 ASSI { 5254}
     (segid "    " and resid "80  " and name "HA  ")
     (segid "    " and resid "80  " and name "HB2 ")
      2.700     0.900     0.900 peak  5254 weight  0.10000E+01 volume  0.76900E+00 ppm1      5.254 ppm2      2.526
 ASSI { 5439}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "89  " and name "HG1 ")
      2.400     0.700     0.700 peak  5439 weight  0.10000E+01 volume  0.15070E+01 ppm1      4.533 ppm2      2.170
 OR { 5439}
     (segid "    " and resid "89  " and name "HA  ")
     (segid "    " and resid "89  " and name "HG2 ")
 ASSI { 4955}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HG1 ")
      3.200     1.300     1.300 peak  4955 weight  0.10000E+01 volume  0.28700E+00 ppm1      4.834 ppm2      0.382
 ASSI { 7834}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HB1 ")
      3.000     1.100     1.100 peak  7834 weight  0.10000E+01 volume  0.49100E+00 ppm1      4.943 ppm2      2.917
 ASSI { 1309}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "105 " and name "HD1 ")
      3.700     1.700     1.700 peak  1309 weight  0.10000E+01 volume  0.36700E+00 ppm1      2.896 ppm2      7.076
 OR { 1309}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "105 " and name "HD2 ")
 ASSI { 5142}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HB1 ")
      2.400     0.700     0.700 peak  5142 weight  0.10000E+01 volume  0.17170E+01 ppm1      4.416 ppm2      2.195
 ASSI { 5543}
     (segid "    " and resid "103 " and name "HA  ")
     (segid "    " and resid "103 " and name "HE3 ")
      3.100     1.200     1.200 peak  5543 weight  0.10000E+01 volume  0.12580E+01 ppm1      4.353 ppm2      7.059
 ASSI { 5060}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD1 ")
      3.100     1.200     1.200 peak  5060 weight  0.10000E+01 volume  0.10870E+01 ppm1      5.159 ppm2      7.029
 OR { 5060}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD2 ")
 ASSI { 5209}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HB1 ")
      2.200     0.600     0.600 peak  5209 weight  0.10000E+01 volume  0.26230E+01 ppm1      4.366 ppm2      3.019
 ASSI { 5088}
     (segid "    " and resid "79  " and name "HA  ")
     (segid "    " and resid "62  " and name "HA2 ")
      3.200     1.300     1.300 peak  5088 weight  0.10000E+01 volume  0.78100E+00 ppm1      5.805 ppm2      3.066
 ASSI { 5087}
     (segid "    " and resid "79  " and name "HA  ")
     (segid "    " and resid "62  " and name "HA1 ")
      3.100     1.200     1.200 peak  5087 weight  0.10000E+01 volume  0.89900E+00 ppm1      5.807 ppm2      4.668
 ASSI { 4814}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB1 ")
      2.500     0.800     0.800 peak  4814 weight  0.10000E+01 volume  0.13020E+01 ppm1      3.234 ppm2      1.678
 ASSI { 4589}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG21")
      3.100     1.200     1.200 peak  4589 weight  0.10000E+01 volume  0.11610E+01 ppm1      4.833 ppm2      0.854
 OR { 4589}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG22")
 OR { 4589}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 4589}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 5339}
     (segid "    " and resid "84  " and name "HA  ")
     (segid "    " and resid "84  " and name "HG12")
      3.000     1.100     1.100 peak  5339 weight  0.10000E+01 volume  0.42400E+00 ppm1      4.335 ppm2      1.198
 ASSI { 4502}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG23")
      2.800     1.000     1.000 peak  4502 weight  0.10000E+01 volume  0.19450E+01 ppm1      4.344 ppm2      0.781
 OR { 4502}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 4502}
     (segid "    " and resid "22  " and name "HA  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 4845}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG21")
      3.000     1.100     1.100 peak  4845 weight  0.10000E+01 volume  0.12760E+01 ppm1      4.500 ppm2      0.853
 OR { 4845}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG22")
 OR { 4845}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 4845}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG12")
 OR { 4845}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 4844}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG23")
      2.700     0.900     0.900 peak  4844 weight  0.10000E+01 volume  0.23830E+01 ppm1      4.499 ppm2      0.993
 OR { 4844}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG22")
 OR { 4844}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HG21")
 ASSI { 6220}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD2 ")
      4.100     2.100     1.900 peak  6220 weight  0.10000E+01 volume  0.69000E-01 ppm1      4.228 ppm2      3.276
 ASSI { 4463}
     (segid "    " and resid "21  " and name "HA  ")
     (segid "    " and resid "21  " and name "HB1 ")
      2.700     0.900     0.900 peak  4463 weight  0.10000E+01 volume  0.91800E+00 ppm1      3.512 ppm2      1.499
 ASSI { 5473}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "90  " and name "HG22")
      3.000     1.100     1.100 peak  5473 weight  0.10000E+01 volume  0.12480E+01 ppm1      4.163 ppm2      1.028
 OR { 5473}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "90  " and name "HG23")
 OR { 5473}
     (segid "    " and resid "93  " and name "HA  ")
     (segid "    " and resid "90  " and name "HG21")
 ASSI { 4884}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG12")
      2.900     1.100     1.100 peak  4884 weight  0.10000E+01 volume  0.16030E+01 ppm1      4.373 ppm2      0.690
 OR { 4884}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 4884}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG11")
 ASSI { 4883}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG22")
      2.800     1.000     1.000 peak  4883 weight  0.10000E+01 volume  0.19390E+01 ppm1      4.371 ppm2      1.118
 OR { 4883}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG23")
 OR { 4883}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "49  " and name "HG21")
 ASSI { 4940}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HD2 ")
      2.300     0.700     0.700 peak  4940 weight  0.10000E+01 volume  0.82100E+00 ppm1      3.615 ppm2      1.516
 OR { 4940}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 4760}
     (segid "    " and resid "40  " and name "HB  ")
     (segid "    " and resid "40  " and name "HG21")
      2.100     0.600     0.600 peak  4760 weight  0.10000E+01 volume  0.51260E+01 ppm1      4.051 ppm2      1.234
 OR { 4760}
     (segid "    " and resid "40  " and name "HB  ")
     (segid "    " and resid "40  " and name "HG23")
 OR { 4760}
     (segid "    " and resid "40  " and name "HB  ")
     (segid "    " and resid "40  " and name "HG22")
 ASSI { 4350}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "12  " and name "HA  ")
      3.400     1.400     1.400 peak  4350 weight  0.10000E+01 volume  0.61900E+00 ppm1      0.796 ppm2      5.265
 OR { 4350}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 4350}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "12  " and name "HA  ")
 ASSI { 4127}
     (segid "    " and resid "61  " and name "HH2 ")
     (segid "    " and resid "61  " and name "HZ2 ")
      3.000     1.100     1.100 peak  4127 weight  0.10000E+01 volume  0.19670E+01 ppm1      7.139 ppm2      7.551
 ASSI { 5071}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "60  " and name "HB1 ")
      3.000     1.100     1.100 peak  5071 weight  0.10000E+01 volume  0.57300E+00 ppm1      7.024 ppm2      3.002
 OR { 5071}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "60  " and name "HB2 ")
 OR { 5071}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "60  " and name "HB2 ")
 OR { 5071}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "60  " and name "HB1 ")
 ASSI { 5114}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HB1 ")
      2.300     0.700     0.700 peak  5114 weight  0.10000E+01 volume  0.32210E+01 ppm1      6.854 ppm2      2.839
 OR { 5114}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 5114}
     (segid "    " and resid "69  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 5114}
     (segid "    " and resid "69  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 3721}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HB2 ")
      2.700     0.900     0.900 peak  3721 weight  0.10000E+01 volume  0.10450E+01 ppm1      7.401 ppm2      2.910
 ASSI { 4533}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "22  " and name "HG11")
      2.400     0.700     0.700 peak  4533 weight  0.10000E+01 volume  0.22100E+01 ppm1      0.518 ppm2      1.770
 OR { 4533}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "22  " and name "HG11")
 OR { 4533}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "22  " and name "HG11")
 ASSI { 5394}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "84  " and name "HG11")
      2.400     0.700     0.700 peak  5394 weight  0.10000E+01 volume  0.20720E+01 ppm1      0.674 ppm2      1.645
 OR { 5394}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "84  " and name "HG11")
 OR { 5394}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "84  " and name "HG11")
 ASSI { 5396}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "84  " and name "HG12")
      2.500     0.800     0.800 peak  5396 weight  0.10000E+01 volume  0.18870E+01 ppm1      0.674 ppm2      1.196
 OR { 5396}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "84  " and name "HG12")
 OR { 5396}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "84  " and name "HG12")
 ASSI { 4621}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HD13")
      3.300     1.400     1.400 peak  4621 weight  0.10000E+01 volume  0.98600E+00 ppm1      1.396 ppm2      0.293
 OR { 4621}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HD11")
 OR { 4621}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "41  " and name "HD13")
 OR { 4621}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HD12")
 OR { 4621}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "41  " and name "HD11")
 ASSI { 4599}
     (segid "    " and resid "26  " and name "HG21")
     (segid "    " and resid "26  " and name "HA  ")
      2.900     1.100     1.100 peak  4599 weight  0.10000E+01 volume  0.17800E+01 ppm1      0.839 ppm2      4.834
 OR { 4599}
     (segid "    " and resid "26  " and name "HG22")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 4599}
     (segid "    " and resid "26  " and name "HG23")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 4693}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HA  ")
      3.800     1.800     1.800 peak  4693 weight  0.10000E+01 volume  0.34900E+00 ppm1      1.318 ppm2      4.924
 OR { 4693}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 4693}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "40  " and name "HA  ")
 ASSI { 4762}
     (segid "    " and resid "40  " and name "HG22")
     (segid "    " and resid "32  " and name "HA  ")
      2.700     0.900     0.900 peak  4762 weight  0.10000E+01 volume  0.28620E+01 ppm1      1.232 ppm2      4.504
 OR { 4762}
     (segid "    " and resid "40  " and name "HG23")
     (segid "    " and resid "32  " and name "HA  ")
 OR { 4762}
     (segid "    " and resid "40  " and name "HG21")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 4278}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "7   " and name "HB1 ")
      2.700     0.900     0.900 peak  4278 weight  0.10000E+01 volume  0.10030E+01 ppm1      0.532 ppm2      1.077
 OR { 4278}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "7   " and name "HB1 ")
 OR { 4278}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "7   " and name "HB1 ")
 ASSI { 5527}
     (segid "    " and resid "102 " and name "HG2 ")
     (segid "    " and resid "102 " and name "HB1 ")
      2.400     0.700     0.700 peak  5527 weight  0.10000E+01 volume  0.64700E+00 ppm1      0.349 ppm2      1.594
 ASSI { 4581}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "87  " and name "HA  ")
      2.700     0.900     0.900 peak  4581 weight  0.10000E+01 volume  0.25420E+01 ppm1      1.189 ppm2      4.229
 OR { 4581}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "87  " and name "HA  ")
 ASSI { 7609}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HE2 ")
      2.800     1.000     1.000 peak  7609 weight  0.10000E+01 volume  0.27600E+00 ppm1     -0.796 ppm2      0.222
 ASSI { 7607}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "22  " and name "HD11")
      3.300     1.400     1.400 peak  7607 weight  0.10000E+01 volume  0.31700E+00 ppm1     -0.804 ppm2      0.520
 OR { 7607}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 7607}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 7602}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HE1 ")
      2.600     0.800     0.800 peak  7602 weight  0.10000E+01 volume  0.45900E+00 ppm1     -0.809 ppm2      1.651
 OR { 7602}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HB1 ")
 ASSI { 4286}
     (segid "    " and resid "7   " and name "HD23")
     (segid "    " and resid "7   " and name "HB1 ")
      2.700     0.900     0.900 peak  4286 weight  0.10000E+01 volume  0.10080E+01 ppm1     -0.065 ppm2      1.072
 OR { 4286}
     (segid "    " and resid "7   " and name "HD21")
     (segid "    " and resid "7   " and name "HB1 ")
 OR { 4286}
     (segid "    " and resid "7   " and name "HD22")
     (segid "    " and resid "7   " and name "HB1 ")
 ASSI { 1337}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE2 ")
      2.400     0.700     0.700 peak  1337 weight  0.10000E+01 volume  0.77600E+00 ppm1      1.596 ppm2      2.890
 OR { 1337}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1337}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 1338}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE2 ")
      2.400     0.700     0.700 peak  1338 weight  0.10000E+01 volume  0.64900E+00 ppm1      1.599 ppm2      2.801
 OR { 1338}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 4742}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "39  " and name "HG  ")
      2.300     0.700     0.700 peak  4742 weight  0.10000E+01 volume  0.30620E+01 ppm1      0.976 ppm2      1.572
 OR { 4742}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "39  " and name "HG  ")
 OR { 4742}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "39  " and name "HG  ")
 ASSI { 5584}
     (segid "    " and resid "99  " and name "HG1 ")
     (segid "    " and resid "99  " and name "HE2 ")
      2.100     0.600     0.600 peak  5584 weight  0.10000E+01 volume  0.14400E+01 ppm1      1.609 ppm2      3.072
 OR { 5584}
     (segid "    " and resid "99  " and name "HG2 ")
     (segid "    " and resid "99  " and name "HE2 ")
 OR { 5584}
     (segid "    " and resid "99  " and name "HG1 ")
     (segid "    " and resid "99  " and name "HE1 ")
 OR { 5584}
     (segid "    " and resid "99  " and name "HG2 ")
     (segid "    " and resid "99  " and name "HE1 ")
 ASSI { 4297}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD23")
      4.400     2.400     1.600 peak  4297 weight  0.10000E+01 volume  0.18800E+00 ppm1      1.718 ppm2     -0.062
 OR { 4297}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 4297}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 4297}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 4297}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "7   " and name "HD22")
 OR { 4297}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD22")
 ASSI { 4975}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HD13")
      2.500     0.800     0.800 peak  4975 weight  0.10000E+01 volume  0.16440E+01 ppm1      1.807 ppm2      0.898
 OR { 4975}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 4975}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HD11")
 ASSI { 4777}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "41  " and name "HD13")
      2.400     0.700     0.700 peak  4777 weight  0.10000E+01 volume  0.23100E+01 ppm1      1.445 ppm2      0.294
 OR { 4777}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "41  " and name "HD12")
 OR { 4777}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "41  " and name "HD11")
 ASSI { 5603}
     (segid "    " and resid "103 " and name "HB2 ")
     (segid "    " and resid "103 " and name "HB1 ")
      1.800     0.400     0.400 peak  5603 weight  0.10000E+01 volume  0.36560E+01 ppm1      3.273 ppm2      3.081
 ASSI { 5604}
     (segid "    " and resid "103 " and name "HB1 ")
     (segid "    " and resid "103 " and name "HE3 ")
      2.800     1.000     1.000 peak  5604 weight  0.10000E+01 volume  0.85400E+00 ppm1      3.076 ppm2      7.101
 ASSI { 4510}
     (segid "    " and resid "22  " and name "HG11")
     (segid "    " and resid "22  " and name "HG12")
      2.100     0.600     0.600 peak  4510 weight  0.10000E+01 volume  0.16400E+01 ppm1      1.772 ppm2      0.600
 ASSI { 4404}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HG2 ")
      1.900     0.500     0.500 peak  4404 weight  0.10000E+01 volume  0.31310E+01 ppm1      2.113 ppm2      2.452
 OR { 4404}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HG1 ")
 OR { 4404}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HG2 ")
 OR { 4404}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HG1 ")
 ASSI { 4451}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HB2 ")
      1.800     0.400     0.400 peak  4451 weight  0.10000E+01 volume  0.34700E+01 ppm1      3.310 ppm2      2.744
 ASSI { 7638}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "52  " and name "HB1 ")
      2.400     0.700     0.700 peak  7638 weight  0.10000E+01 volume  0.64100E+00 ppm1      0.994 ppm2      1.643
 OR { 7638}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "52  " and name "HE1 ")
 ASSI { 4808}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HB1 ")
      1.700     0.400     0.500 peak  4808 weight  0.10000E+01 volume  0.50160E+01 ppm1      2.872 ppm2      3.196
 ASSI { 4474}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HE1 ")
      3.200     1.300     1.300 peak  4474 weight  0.10000E+01 volume  0.41400E+00 ppm1      1.001 ppm2      7.122
 OR { 4474}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HZ  ")
 OR { 4474}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD1 ")
 ASSI { 4471}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HB2 ")
      1.900     0.500     0.500 peak  4471 weight  0.10000E+01 volume  0.29190E+01 ppm1      1.498 ppm2      1.001
 ASSI { 4183}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HA  ")
      3.100     1.200     1.200 peak  4183 weight  0.10000E+01 volume  0.33700E+00 ppm1      2.612 ppm2      4.080
 OR { 4183}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HA  ")
 ASSI { 5226}
     (segid "    " and resid "76  " and name "HB2 ")
     (segid "    " and resid "76  " and name "HD1 ")
      2.200     0.600     0.600 peak  5226 weight  0.10000E+01 volume  0.13110E+01 ppm1      1.739 ppm2      3.174
 OR { 5226}
     (segid "    " and resid "76  " and name "HB2 ")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 5226}
     (segid "    " and resid "76  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HD1 ")
 OR { 5226}
     (segid "    " and resid "76  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HD2 ")
 ASSI { 5223}
     (segid "    " and resid "76  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HA  ")
      2.400     0.700     0.700 peak  5223 weight  0.10000E+01 volume  0.16710E+01 ppm1      1.819 ppm2      4.315
 OR { 5223}
     (segid "    " and resid "76  " and name "HB2 ")
     (segid "    " and resid "76  " and name "HA  ")
 ASSI { 4242}
     (segid "    " and resid "5   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HB1 ")
      1.900     0.500     0.500 peak  4242 weight  0.10000E+01 volume  0.32180E+01 ppm1      1.515 ppm2      2.213
 ASSI { 4677}
     (segid "    " and resid "32  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HB2 ")
      1.700     0.400     0.500 peak  4677 weight  0.10000E+01 volume  0.62980E+01 ppm1      2.352 ppm2      1.725
 OR { 4677}
     (segid "    " and resid "32  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HB1 ")
 ASSI { 1278}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HA  ")
      2.700     0.900     0.900 peak  1278 weight  0.10000E+01 volume  0.84500E+00 ppm1      1.384 ppm2      2.889
 OR { 1278}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 1278}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 1334}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HA  ")
      2.700     0.900     0.900 peak  1334 weight  0.10000E+01 volume  0.70800E+00 ppm1      1.232 ppm2      2.890
 OR { 1334}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HE2 ")
 ASSI { 6650}
     (segid "    " and resid "65  " and name "HB  ")
     (segid "    " and resid "65  " and name "HG21")
      2.100     0.600     0.600 peak  6650 weight  0.10000E+01 volume  0.51500E+01 ppm1      2.265 ppm2      1.041
 OR { 6650}
     (segid "    " and resid "65  " and name "HB  ")
     (segid "    " and resid "65  " and name "HG13")
 OR { 6650}
     (segid "    " and resid "65  " and name "HB  ")
     (segid "    " and resid "65  " and name "HG11")
 OR { 6650}
     (segid "    " and resid "65  " and name "HB  ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 6650}
     (segid "    " and resid "65  " and name "HB  ")
     (segid "    " and resid "65  " and name "HG22")
 OR { 6650}
     (segid "    " and resid "65  " and name "HB  ")
     (segid "    " and resid "65  " and name "HG12")
 ASSI { 4116}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HE3 ")
      3.300     1.400     1.400 peak  4116 weight  0.10000E+01 volume  0.33300E+00 ppm1      3.252 ppm2      7.413
 ASSI { 6214}
     (segid "    " and resid "4   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HA  ")
      3.700     1.700     1.700 peak  6214 weight  0.10000E+01 volume  0.12800E+00 ppm1      2.715 ppm2      5.040
 ASSI { 6562}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HE2 ")
      4.000     2.000     2.000 peak  6562 weight  0.10000E+01 volume  0.34000E-01 ppm1      1.837 ppm2      2.937
 OR { 6562}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HE1 ")
 ASSI { 4953}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HA  ")
      3.200     1.300     1.300 peak  4953 weight  0.10000E+01 volume  0.29100E+00 ppm1      1.654 ppm2      4.823
 ASSI { 4954}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HA  ")
      3.200     1.300     1.300 peak  4954 weight  0.10000E+01 volume  0.27600E+00 ppm1      1.419 ppm2      4.821
 ASSI { 4319}
     (segid "    " and resid "10  " and name "HB2 ")
     (segid "    " and resid "10  " and name "HB1 ")
      1.900     0.500     0.500 peak  4319 weight  0.10000E+01 volume  0.30860E+01 ppm1      1.584 ppm2      1.986
 ASSI { 4996}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HB1 ")
      1.900     0.500     0.500 peak  4996 weight  0.10000E+01 volume  0.32640E+01 ppm1      1.452 ppm2      1.937
 ASSI { 6944}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "45  " and name "HB2 ")
      2.000     0.500     0.500 peak  6944 weight  0.10000E+01 volume  0.18890E+01 ppm1      2.394 ppm2      1.968
 OR { 6944}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 4333}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HD1 ")
      2.300     0.700     0.700 peak  4333 weight  0.10000E+01 volume  0.95300E+00 ppm1      1.539 ppm2      1.284
 OR { 4333}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 4333}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 4333}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 4333}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HG2 ")
 ASSI { 4330}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HA  ")
      2.800     1.000     1.000 peak  4330 weight  0.10000E+01 volume  0.74400E+00 ppm1      1.537 ppm2      4.904
 OR { 4330}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HA  ")
 ASSI { 5256}
     (segid "    " and resid "80  " and name "HB1 ")
     (segid "    " and resid "80  " and name "HA  ")
      2.900     1.100     1.100 peak  5256 weight  0.10000E+01 volume  0.50300E+00 ppm1      3.472 ppm2      5.262
 ASSI { 5361}
     (segid "    " and resid "84  " and name "HB  ")
     (segid "    " and resid "84  " and name "HA  ")
      2.400     0.700     0.700 peak  5361 weight  0.10000E+01 volume  0.19130E+01 ppm1      2.135 ppm2      4.338
 ASSI { 4960}
     (segid "    " and resid "53  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HB2 ")
      2.100     0.600     0.600 peak  4960 weight  0.10000E+01 volume  0.14430E+01 ppm1      2.792 ppm2      1.083
 ASSI { 4099}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD1 ")
      2.900     1.100     1.100 peak  4099 weight  0.10000E+01 volume  0.79100E+00 ppm1      2.478 ppm2      6.922
 OR { 4099}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD2 ")
 ASSI { 5623}
     (segid "    " and resid "106 " and name "HB1 ")
     (segid "    " and resid "106 " and name "HD1 ")
      2.700     0.900     0.900 peak  5623 weight  0.10000E+01 volume  0.12390E+01 ppm1      3.071 ppm2      6.796
 OR { 5623}
     (segid "    " and resid "106 " and name "HB2 ")
     (segid "    " and resid "106 " and name "HD2 ")
 ASSI { 3752}
     (segid "    " and resid "79  " and name "HB1 ")
     (segid "    " and resid "79  " and name "HA  ")
      3.000     1.100     1.100 peak  3752 weight  0.10000E+01 volume  0.42000E+00 ppm1      2.682 ppm2      5.811
 ASSI { 5536}
     (segid "    " and resid "102 " and name "HE2 ")
     (segid "    " and resid "103 " and name "HZ2 ")
      3.200     1.300     1.300 peak  5536 weight  0.10000E+01 volume  0.37300E+00 ppm1      2.333 ppm2      7.342
 OR { 5536}
     (segid "    " and resid "102 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HZ2 ")
 ASSI { 5050}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HA  ")
      2.400     0.700     0.700 peak  5050 weight  0.10000E+01 volume  0.16780E+01 ppm1      0.864 ppm2      3.973
 OR { 5050}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HA  ")
 ASSI { 5051}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HG  ")
      2.200     0.600     0.600 peak  5051 weight  0.10000E+01 volume  0.12400E+01 ppm1      0.863 ppm2      1.286
 OR { 5051}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HG  ")
 ASSI { 7625}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "52  " and name "HD2 ")
      2.600     0.800     0.800 peak  7625 weight  0.10000E+01 volume  0.42300E+00 ppm1      0.213 ppm2      0.998
 ASSI { 7629}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "52  " and name "HG1 ")
      2.600     0.800     0.800 peak  7629 weight  0.10000E+01 volume  0.39500E+00 ppm1      0.204 ppm2      0.382
 ASSI { 7621}
     (segid "    " and resid "52  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HG1 ")
      2.600     0.800     0.800 peak  7621 weight  0.10000E+01 volume  0.44300E+00 ppm1      1.646 ppm2      0.375
 ASSI { 4660}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG2 ")
      2.200     0.600     0.600 peak  4660 weight  0.10000E+01 volume  0.12460E+01 ppm1      2.667 ppm2      1.198
 OR { 4660}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 4660}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 4660}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 5218}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HA  ")
      2.400     0.700     0.700 peak  5218 weight  0.10000E+01 volume  0.15170E+01 ppm1      1.536 ppm2      4.240
 OR { 5218}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI { 4719}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HA  ")
      3.100     1.200     1.200 peak  4719 weight  0.10000E+01 volume  0.33700E+00 ppm1      3.783 ppm2      4.039
 ASSI { 4267}
     (segid "    " and resid "7   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HA  ")
      3.000     1.100     1.100 peak  4267 weight  0.10000E+01 volume  0.42500E+00 ppm1      0.895 ppm2      3.860
 ASSI { 5166}
     (segid "    " and resid "62  " and name "HA1 ")
     (segid "    " and resid "62  " and name "HA2 ")
      3.000     1.100     1.100 peak  5166 weight  0.10000E+01 volume  0.10530E+01 ppm1      4.645 ppm2      3.064
 ASSI { 4190}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HD2 ")
      2.300     0.700     0.700 peak  4190 weight  0.10000E+01 volume  0.95300E+00 ppm1      3.474 ppm2      2.560
 ASSI { 2721}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HG2 ")
      2.600     0.800     0.800 peak  2721 weight  0.10000E+01 volume  0.47400E+00 ppm1      2.566 ppm2      1.666
 ASSI { 5248}
     (segid "    " and resid "78  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HD23")
      3.400     1.400     1.400 peak  5248 weight  0.10000E+01 volume  0.63600E+00 ppm1      4.202 ppm2      0.907
 OR { 5248}
     (segid "    " and resid "78  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 5248}
     (segid "    " and resid "78  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HD21")
 OR { 5248}
     (segid "    " and resid "78  " and name "HA1 ")
     (segid "    " and resid "39  " and name "HD13")
 ASSI { 4734}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HD12")
      3.200     1.300     1.300 peak  4734 weight  0.10000E+01 volume  0.42700E+00 ppm1      1.658 ppm2      0.288
 OR { 4734}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HD13")
 OR { 4734}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HD11")
 ASSI { 5494}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "22  " and name "HG12")
      3.100     1.200     1.200 peak  5494 weight  0.10000E+01 volume  0.86600E+00 ppm1      3.789 ppm2      0.525
 OR { 5494}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 5494}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 4361}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HB1 ")
      1.900     0.500     0.500 peak  4361 weight  0.10000E+01 volume  0.25900E+01 ppm1      3.375 ppm2      4.097
 ASSI {  922}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HA  ")
      2.300     0.700     0.700 peak   922 weight  0.10000E+01 volume  0.21540E+01 ppm1      3.690 ppm2      4.618
 ASSI {  996}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "92  " and name "HA  ")
      2.300     0.700     0.700 peak   996 weight  0.10000E+01 volume  0.20890E+01 ppm1      3.581 ppm2      4.618
 ASSI { 6227}
     (segid "    " and resid "5   " and name "HD1 ")
     (segid "    " and resid "5   " and name "HB1 ")
      2.900     1.100     1.100 peak  6227 weight  0.10000E+01 volume  0.22200E+00 ppm1      3.868 ppm2      2.230
 ASSI { 4249}
     (segid "    " and resid "5   " and name "HD1 ")
     (segid "    " and resid "4   " and name "HA  ")
      2.500     0.800     0.800 peak  4249 weight  0.10000E+01 volume  0.14250E+01 ppm1      3.862 ppm2      5.056
 ASSI { 4254}
     (segid "    " and resid "5   " and name "HD2 ")
     (segid "    " and resid "5   " and name "HD1 ")
      2.000     0.500     0.500 peak  4254 weight  0.10000E+01 volume  0.18360E+01 ppm1      3.274 ppm2      3.869
 ASSI { 6226}
     (segid "    " and resid "5   " and name "HD1 ")
     (segid "    " and resid "5   " and name "HA  ")
      3.700     1.700     1.700 peak  6226 weight  0.10000E+01 volume  0.12800E+00 ppm1      3.879 ppm2      4.223
 ASSI { 4216}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HD2 ")
      2.600     0.800     0.800 peak  4216 weight  0.10000E+01 volume  0.10350E+01 ppm1      5.048 ppm2      3.279
 ASSI { 5589}
     (segid "    " and resid "101 " and name "HA  ")
     (segid "    " and resid "101 " and name "HB2 ")
      2.300     0.700     0.700 peak  5589 weight  0.10000E+01 volume  0.23700E+01 ppm1      4.948 ppm2      2.627
 ASSI { 5588}
     (segid "    " and resid "101 " and name "HA  ")
     (segid "    " and resid "101 " and name "HB1 ")
      2.200     0.600     0.600 peak  5588 weight  0.10000E+01 volume  0.27200E+01 ppm1      4.950 ppm2      2.992
 ASSI { 5076}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB2 ")
      2.900     1.100     1.100 peak  5076 weight  0.10000E+01 volume  0.55900E+00 ppm1      5.316 ppm2      2.487
 ASSI { 5075}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB1 ")
      2.700     0.900     0.900 peak  5075 weight  0.10000E+01 volume  0.80900E+00 ppm1      5.315 ppm2      3.257
 ASSI { 5074}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "52  " and name "HA  ")
      2.900     1.100     1.100 peak  5074 weight  0.10000E+01 volume  0.13920E+01 ppm1      5.315 ppm2      4.824
 ASSI { 6771}
     (segid "    " and resid "34  " and name "HD2 ")
     (segid "    " and resid "34  " and name "HG1 ")
      2.400     0.700     0.700 peak  6771 weight  0.10000E+01 volume  0.64700E+00 ppm1      3.233 ppm2      1.501
 ASSI { 4605}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "85  " and name "HA  ")
      2.600     0.800     0.800 peak  4605 weight  0.10000E+01 volume  0.23400E+01 ppm1      4.560 ppm2      5.347
 ASSI { 4670}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HG2 ")
      3.000     1.100     1.100 peak  4670 weight  0.10000E+01 volume  0.44600E+00 ppm1      4.503 ppm2      2.352
 ASSI { 4445}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "21  " and name "HD1 ")
      2.400     0.700     0.700 peak  4445 weight  0.10000E+01 volume  0.15320E+01 ppm1      4.985 ppm2      3.554
 ASSI { 4444}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "50  " and name "HE2 ")
      3.400     1.400     1.400 peak  4444 weight  0.10000E+01 volume  0.68400E+00 ppm1      4.987 ppm2      7.129
 ASSI { 4271}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "7   " and name "HD11")
      2.600     0.800     0.800 peak  4271 weight  0.10000E+01 volume  0.12270E+01 ppm1      0.872 ppm2      0.527
 OR { 4271}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "7   " and name "HD12")
 OR { 4271}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "7   " and name "HD13")
 ASSI { 6344}
     (segid "    " and resid "13  " and name "HA  ")
     (segid "    " and resid "51  " and name "HA  ")
      3.400     1.400     1.400 peak  6344 weight  0.10000E+01 volume  0.51300E+00 ppm1      5.078 ppm2      5.482
 ASSI { 5547}
     (segid "    " and resid "97  " and name "HA  ")
     (segid "    " and resid "97  " and name "HB2 ")
      2.400     0.700     0.700 peak  5547 weight  0.10000E+01 volume  0.17330E+01 ppm1      5.076 ppm2      2.364
 ASSI { 2233}
     (segid "    " and resid "7   " and name "HA  ")
     (segid "    " and resid "7   " and name "HB1 ")
      2.600     0.800     0.800 peak  2233 weight  0.10000E+01 volume  0.11550E+01 ppm1      3.856 ppm2      1.063
 ASSI { 4180}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HB1 ")
      2.200     0.600     0.600 peak  4180 weight  0.10000E+01 volume  0.25730E+01 ppm1      4.077 ppm2      2.210
 OR { 4180}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HB2 ")
 ASSI { 7835}
     (segid "    " and resid "105 " and name "HA  ")
     (segid "    " and resid "105 " and name "HB2 ")
      3.200     1.300     1.300 peak  7835 weight  0.10000E+01 volume  0.32700E+00 ppm1      4.941 ppm2      2.726
 ASSI { 4931}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "22  " and name "HD12")
      3.100     1.200     1.200 peak  4931 weight  0.10000E+01 volume  0.10220E+01 ppm1      5.489 ppm2      0.519
 OR { 4931}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "22  " and name "HD11")
 OR { 4931}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 4929}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HB2 ")
      2.400     0.700     0.700 peak  4929 weight  0.10000E+01 volume  0.15720E+01 ppm1      5.485 ppm2      3.612
 ASSI { 4539}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB1 ")
      2.200     0.600     0.600 peak  4539 weight  0.10000E+01 volume  0.28750E+01 ppm1      4.928 ppm2      3.797
 OR { 4539}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB2 ")
 ASSI { 4538}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "90  " and name "HA  ")
      2.800     1.000     1.000 peak  4538 weight  0.10000E+01 volume  0.16570E+01 ppm1      4.931 ppm2      4.035
 ASSI { 1317}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HB2 ")
      2.600     0.800     0.800 peak  1317 weight  0.10000E+01 volume  0.99200E+00 ppm1      2.899 ppm2      1.226
 ASSI { 5063}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HB2 ")
      2.700     0.900     0.900 peak  5063 weight  0.10000E+01 volume  0.92300E+00 ppm1      5.157 ppm2      2.992
 ASSI { 5062}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HB1 ")
      2.800     1.000     1.000 peak  5062 weight  0.10000E+01 volume  0.70600E+00 ppm1      5.158 ppm2      3.108
 ASSI { 5593}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HB2 ")
      2.200     0.600     0.600 peak  5593 weight  0.10000E+01 volume  0.25010E+01 ppm1      4.002 ppm2      1.365
 ASSI { 4435}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB1 ")
      2.200     0.600     0.600 peak  4435 weight  0.10000E+01 volume  0.26380E+01 ppm1      4.359 ppm2      3.518
 ASSI { 4434}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB2 ")
      2.200     0.600     0.600 peak  4434 weight  0.10000E+01 volume  0.29220E+01 ppm1      4.356 ppm2      3.779
 ASSI { 4904}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "21  " and name "HA  ")
      2.700     0.900     0.900 peak  4904 weight  0.10000E+01 volume  0.21030E+01 ppm1      4.481 ppm2      3.517
 ASSI { 5329}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "82  " and name "HB1 ")
      2.400     0.700     0.700 peak  5329 weight  0.10000E+01 volume  0.16150E+01 ppm1      2.880 ppm2      1.381
 ASSI { 4842}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "26  " and name "HA  ")
      2.600     0.800     0.800 peak  4842 weight  0.10000E+01 volume  0.23280E+01 ppm1      4.501 ppm2      4.832
 ASSI { 4755}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "32  " and name "HA  ")
      3.000     1.100     1.100 peak  4755 weight  0.10000E+01 volume  0.10880E+01 ppm1      4.916 ppm2      4.501
 ASSI { 4701}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HD2 ")
      3.600     1.600     1.600 peak  4701 weight  0.10000E+01 volume  0.15000E+00 ppm1      4.233 ppm2      3.236
 ASSI { 4703}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HB2 ")
      2.400     0.700     0.700 peak  4703 weight  0.10000E+01 volume  0.15690E+01 ppm1      4.240 ppm2      1.684
 ASSI { 4442}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HB1 ")
      2.400     0.700     0.700 peak  4442 weight  0.10000E+01 volume  0.66500E+00 ppm1      3.517 ppm2      2.238
 ASSI { 5167}
     (segid "    " and resid "100 " and name "HB  ")
     (segid "    " and resid "100 " and name "HG21")
      2.500     0.800     0.800 peak  5167 weight  0.10000E+01 volume  0.18200E+01 ppm1      4.616 ppm2      0.944
 OR { 5167}
     (segid "    " and resid "100 " and name "HB  ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 5167}
     (segid "    " and resid "100 " and name "HB  ")
     (segid "    " and resid "100 " and name "HG22")
 ASSI { 4355}
     (segid "    " and resid "12  " and name "HD21")
     (segid "    " and resid "12  " and name "HA  ")
      2.700     0.900     0.900 peak  4355 weight  0.10000E+01 volume  0.26380E+01 ppm1      0.723 ppm2      5.267
 OR { 4355}
     (segid "    " and resid "12  " and name "HD22")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 4355}
     (segid "    " and resid "12  " and name "HD23")
     (segid "    " and resid "12  " and name "HA  ")
 ASSI { 4592}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "26  " and name "HG23")
      2.000     0.500     0.500 peak  4592 weight  0.10000E+01 volume  0.74680E+01 ppm1      1.792 ppm2      0.852
 OR { 4592}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "26  " and name "HG12")
 OR { 4592}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 4592}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "26  " and name "HG22")
 OR { 4592}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "26  " and name "HG21")
 ASSI { 4591}
     (segid "    " and resid "26  " and name "HB  ")
     (segid "    " and resid "26  " and name "HA  ")
      2.400     0.700     0.700 peak  4591 weight  0.10000E+01 volume  0.17590E+01 ppm1      1.792 ppm2      4.829
 ASSI { 4709}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD2 ")
      2.700     0.900     0.900 peak  4709 weight  0.10000E+01 volume  0.32900E+00 ppm1      1.683 ppm2      3.233
 ASSI { 4594}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HG1 ")
      1.900     0.500     0.500 peak  4594 weight  0.10000E+01 volume  0.26490E+01 ppm1      1.840 ppm2      1.264
 OR { 4594}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HG2 ")
 ASSI { 4593}
     (segid "    " and resid "95  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HA  ")
      2.300     0.700     0.700 peak  4593 weight  0.10000E+01 volume  0.21650E+01 ppm1      1.833 ppm2      4.531
 ASSI { 5528}
     (segid "    " and resid "102 " and name "HG2 ")
     (segid "    " and resid "102 " and name "HB2 ")
      2.400     0.700     0.700 peak  5528 weight  0.10000E+01 volume  0.73200E+00 ppm1      0.350 ppm2      1.356
 ASSI { 5042}
     (segid "    " and resid "58  " and name "HG2 ")
     (segid "    " and resid "58  " and name "HD1 ")
      2.000     0.500     0.500 peak  5042 weight  0.10000E+01 volume  0.20700E+01 ppm1      1.404 ppm2      3.225
 OR { 5042}
     (segid "    " and resid "58  " and name "HG2 ")
     (segid "    " and resid "58  " and name "HD2 ")
 ASSI { 5045}
     (segid "    " and resid "58  " and name "HG2 ")
     (segid "    " and resid "58  " and name "HB1 ")
      2.200     0.600     0.600 peak  5045 weight  0.10000E+01 volume  0.11340E+01 ppm1      1.409 ppm2      2.108
 ASSI { 5533}
     (segid "    " and resid "102 " and name "HD2 ")
     (segid "    " and resid "102 " and name "HE1 ")
      2.000     0.500     0.500 peak  5533 weight  0.10000E+01 volume  0.22810E+01 ppm1      1.246 ppm2      2.341
 OR { 5533}
     (segid "    " and resid "102 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HE2 ")
 OR { 5533}
     (segid "    " and resid "102 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HE1 ")
 OR { 5533}
     (segid "    " and resid "102 " and name "HD2 ")
     (segid "    " and resid "102 " and name "HE2 ")
 ASSI { 4450}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HA  ")
      2.800     1.000     1.000 peak  4450 weight  0.10000E+01 volume  0.63900E+00 ppm1      3.308 ppm2      4.991
 ASSI { 7641}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "52  " and name "HG1 ")
      2.700     0.900     0.900 peak  7641 weight  0.10000E+01 volume  0.33600E+00 ppm1      1.000 ppm2      0.380
 ASSI { 7640}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "52  " and name "HD1 ")
      2.200     0.600     0.600 peak  7640 weight  0.10000E+01 volume  0.11480E+01 ppm1      0.998 ppm2      1.173
 ASSI { 5522}
     (segid "    " and resid "102 " and name "HB2 ")
     (segid "    " and resid "102 " and name "HG1 ")
      2.300     0.700     0.700 peak  5522 weight  0.10000E+01 volume  0.83500E+00 ppm1      1.359 ppm2      0.687
 ASSI { 4946}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HG1 ")
      2.800     1.000     1.000 peak  4946 weight  0.10000E+01 volume  0.29400E+00 ppm1      1.657 ppm2      0.377
 ASSI { 4952}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HB1 ")
      2.300     0.700     0.700 peak  4952 weight  0.10000E+01 volume  0.88200E+00 ppm1      1.421 ppm2      1.658
 ASSI { 4949}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HG1 ")
      2.900     1.100     1.100 peak  4949 weight  0.10000E+01 volume  0.23700E+00 ppm1      1.426 ppm2      0.380
 ASSI { 4835}
     (segid "    " and resid "45  " and name "HG2 ")
     (segid "    " and resid "45  " and name "HA  ")
      2.400     0.700     0.700 peak  4835 weight  0.10000E+01 volume  0.15330E+01 ppm1      2.466 ppm2      4.254
 OR { 4835}
     (segid "    " and resid "45  " and name "HG1 ")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 5105}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HB1 ")
      2.000     0.500     0.500 peak  5105 weight  0.10000E+01 volume  0.22240E+01 ppm1      3.183 ppm2      2.476
 ASSI { 4507}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HD11")
      2.200     0.600     0.600 peak  4507 weight  0.10000E+01 volume  0.19650E+01 ppm1      1.273 ppm2      0.526
 OR { 4507}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG12")
 OR { 4507}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 4507}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 5618}
     (segid "    " and resid "104 " and name "HB2 ")
     (segid "    " and resid "104 " and name "HB1 ")
      1.900     0.500     0.500 peak  5618 weight  0.10000E+01 volume  0.25570E+01 ppm1      2.451 ppm2      1.596
 ASSI { 5219}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD13")
      2.300     0.700     0.700 peak  5219 weight  0.10000E+01 volume  0.32350E+01 ppm1      1.625 ppm2      0.776
 OR { 5219}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 5219}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 5219}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 5219}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 5219}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 5219}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 5219}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD11")
 ASSI { 4268}
     (segid "    " and resid "7   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD13")
      3.000     1.100     1.100 peak  4268 weight  0.10000E+01 volume  0.59100E+00 ppm1      0.900 ppm2      0.535
 OR { 4268}
     (segid "    " and resid "7   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 4268}
     (segid "    " and resid "7   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD12")
 ASSI { 5500}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HG12")
      3.000     1.100     1.100 peak  5500 weight  0.10000E+01 volume  0.10440E+01 ppm1      3.050 ppm2      0.526
 OR { 5500}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 5500}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI {  951}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HG1 ")
      2.100     0.600     0.600 peak   951 weight  0.10000E+01 volume  0.16570E+01 ppm1      3.694 ppm2      1.937
 OR {  951}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HG2 ")
 ASSI { 6767}
     (segid "    " and resid "34  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HA  ")
      2.500     0.800     0.800 peak  6767 weight  0.10000E+01 volume  0.13270E+01 ppm1      3.229 ppm2      4.035
 ASSI { 4928}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HB1 ")
      2.400     0.700     0.700 peak  4928 weight  0.10000E+01 volume  0.16980E+01 ppm1      5.485 ppm2      3.955
 ASSI { 1316}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HB1 ")
      2.600     0.800     0.800 peak  1316 weight  0.10000E+01 volume  0.10760E+01 ppm1      2.894 ppm2      1.365
 OR { 1316}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HG2 ")
 ASSI { 5596}
     (segid "    " and resid "102 " and name "HA  ")
     (segid "    " and resid "102 " and name "HG2 ")
      3.100     1.200     1.200 peak  5596 weight  0.10000E+01 volume  0.34500E+00 ppm1      4.001 ppm2      0.348
 ASSI { 5334}
     (segid "    " and resid "82  " and name "HB1 ")
     (segid "    " and resid "82  " and name "HB2 ")
      2.100     0.600     0.600 peak  5334 weight  0.10000E+01 volume  0.17170E+01 ppm1      1.386 ppm2      1.771
 ASSI { 4880}
     (segid "    " and resid "49  " and name "HA  ")
     (segid "    " and resid "63  " and name "HA1 ")
      3.100     1.200     1.200 peak  4880 weight  0.10000E+01 volume  0.81300E+00 ppm1      4.374 ppm2      5.099
 ASSI { 5452}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "90  " and name "HG22")
      2.100     0.600     0.600 peak  5452 weight  0.10000E+01 volume  0.51810E+01 ppm1      4.008 ppm2      1.029
 OR { 5452}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "90  " and name "HG21")
 OR { 5452}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "90  " and name "HG23")
 ASSI { 4213}
     (segid "    " and resid "3   " and name "HD2 ")
     (segid "    " and resid "2   " and name "HA1 ")
      2.600     0.800     0.800 peak  4213 weight  0.10000E+01 volume  0.11440E+01 ppm1      3.448 ppm2      4.374
 ASSI { 7554}
     (segid "    " and resid "50  " and name "HZ  ")
     (segid "    " and resid "50  " and name "HE2 ")
      2.600     0.800     0.800 peak  7554 weight  0.10000E+01 volume  0.46160E+01 ppm1      7.089 ppm2      7.099
 OR { 7554}
     (segid "    " and resid "50  " and name "HZ  ")
     (segid "    " and resid "50  " and name "HE1 ")
 ASSI { 5529}
     (segid "    " and resid "102 " and name "HG2 ")
     (segid "    " and resid "102 " and name "HD1 ")
      2.100     0.600     0.600 peak  5529 weight  0.10000E+01 volume  0.16530E+01 ppm1      0.355 ppm2      1.246
 OR { 5529}
     (segid "    " and resid "102 " and name "HG2 ")
     (segid "    " and resid "102 " and name "HD2 ")
 ASSI { 7608}
     (segid "    " and resid "52  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HG1 ")
      2.500     0.800     0.800 peak  7608 weight  0.10000E+01 volume  0.55500E+00 ppm1     -0.804 ppm2      0.381
 ASSI { 4478}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HA  ")
      2.400     0.700     0.700 peak  4478 weight  0.10000E+01 volume  0.16610E+01 ppm1      1.002 ppm2      3.520
 ASSI { 7592}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HG2 ")
      2.800     1.000     1.000 peak  7592 weight  0.10000E+01 volume  0.26700E+00 ppm1      1.659 ppm2     -0.809
 ASSI { 4113}
     (segid "    " and resid "70  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HD2 ")
      2.700     0.900     0.900 peak  4113 weight  0.10000E+01 volume  0.12380E+01 ppm1      3.014 ppm2      7.009
 OR { 4113}
     (segid "    " and resid "70  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HD1 ")
 ASSI { 5541}
     (segid "    " and resid "102 " and name "HE2 ")
     (segid "    " and resid "102 " and name "HG1 ")
      2.100     2.100     2.900 peak  5541 weight  0.10000E+01 volume  0.18050E+01 ppm1      2.340 ppm2      0.693
 OR { 5541}
     (segid "    " and resid "102 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HG1 ")
 ASSI { 7614}
     (segid "    " and resid "52  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HG2 ")
      2.800     1.000     1.000 peak  7614 weight  0.10000E+01 volume  0.30400E+00 ppm1      1.652 ppm2     -0.815
 ASSI { 7622}
     (segid "    " and resid "52  " and name "HE2 ")
     (segid "    " and resid "52  " and name "HE1 ")
      2.100     0.600     0.600 peak  7622 weight  0.10000E+01 volume  0.15070E+01 ppm1      0.215 ppm2      1.645
 ASSI { 5026}
     (segid "    " and resid "57  " and name "HA2 ")
     (segid "    " and resid "57  " and name "HA1 ")
      2.500     0.800     0.800 peak  5026 weight  0.10000E+01 volume  0.29460E+01 ppm1      3.541 ppm2      4.684
 ASSI { 5491}
     (segid "    " and resid "94  " and name "HA1 ")
     (segid "    " and resid "94  " and name "HA2 ")
      2.400     0.700     0.700 peak  5491 weight  0.10000E+01 volume  0.42190E+01 ppm1      3.794 ppm2      3.053
 ASSI { 5194}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HA  ")
      2.300     0.700     0.700 peak  5194 weight  0.10000E+01 volume  0.24780E+01 ppm1      3.832 ppm2      5.231
 OR { 5194}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 4933}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HB2 ")
      1.800     0.400     0.400 peak  4933 weight  0.10000E+01 volume  0.33630E+01 ppm1      3.957 ppm2      3.613
 ASSI { 3731}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB1 ")
      2.600     0.800     0.800 peak  3731 weight  0.10000E+01 volume  0.11630E+01 ppm1      4.609 ppm2      2.641
 ASSI { 3730}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB2 ")
      2.400     0.700     0.700 peak  3730 weight  0.10000E+01 volume  0.16300E+01 ppm1      4.609 ppm2      2.913
 ASSI { 5581}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HE2 ")
      3.200     1.300     1.300 peak  5581 weight  0.10000E+01 volume  0.11700E+00 ppm1      1.941 ppm2      3.069
 OR { 5581}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HE1 ")
 ASSI { 5416}
     (segid "    " and resid "99  " and name "HB2 ")
     (segid "    " and resid "99  " and name "HE2 ")
      3.500     1.500     1.500 peak  5416 weight  0.10000E+01 volume  0.73000E-01 ppm1      1.832 ppm2      3.075
 OR { 5416}
     (segid "    " and resid "99  " and name "HB2 ")
     (segid "    " and resid "99  " and name "HE1 ")
 ASSI { 4109}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD21")
      4.200     2.200     1.800 peak  4109 weight  0.10000E+01 volume  0.26600E+00 ppm1      6.838 ppm2     -0.062
 OR { 4109}
     (segid "    " and resid "38  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 4109}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD22")
 OR { 4109}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 4109}
     (segid "    " and resid "38  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD23")
 ASSI { 4279}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "7   " and name "HD22")
      2.600     0.800     0.800 peak  4279 weight  0.10000E+01 volume  0.41390E+01 ppm1      0.532 ppm2     -0.064
 OR { 4279}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "7   " and name "HD21")
 OR { 4279}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "7   " and name "HD23")
 OR { 4279}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "7   " and name "HD21")
 OR { 4279}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "7   " and name "HD22")
 OR { 4279}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "7   " and name "HD23")
 ASSI { 5530}
     (segid "    " and resid "102 " and name "HG2 ")
     (segid "    " and resid "102 " and name "HG1 ")
      1.800     0.400     0.400 peak  5530 weight  0.10000E+01 volume  0.44940E+01 ppm1      0.346 ppm2      0.689
 ASSI { 7644}
     (segid "    " and resid "52  " and name "HD2 ")
     (segid "    " and resid "52  " and name "HG2 ")
      2.800     1.000     1.000 peak  7644 weight  0.10000E+01 volume  0.30100E+00 ppm1      0.992 ppm2     -0.805
 ASSI { 2994}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HG2 ")
      2.800     1.000     1.000 peak  2994 weight  0.10000E+01 volume  0.26300E+00 ppm1      1.419 ppm2     -0.830
 ASSI { 3758}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD22")
      3.400     1.400     1.400 peak  3758 weight  0.10000E+01 volume  0.28100E+00 ppm1      1.989 ppm2     -0.070
 OR { 3758}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 3758}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD21")
 ASSI { 3756}
     (segid "    " and resid "79  " and name "HB2 ")
     (segid "    " and resid "79  " and name "HA  ")
      3.000     1.100     1.100 peak  3756 weight  0.10000E+01 volume  0.48300E+00 ppm1      1.998 ppm2      5.807
 ASSI { 4269}
     (segid "    " and resid "7   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD23")
      3.000     1.100     1.100 peak  4269 weight  0.10000E+01 volume  0.60600E+00 ppm1      0.898 ppm2     -0.065
 OR { 4269}
     (segid "    " and resid "7   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 4269}
     (segid "    " and resid "7   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HD22")
 ASSI { 3707}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD22")
      3.700     1.700     1.700 peak  3707 weight  0.10000E+01 volume  0.17600E+00 ppm1      2.562 ppm2     -0.068
 OR { 3707}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 3707}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD23")
 ASSI { 4262}
     (segid "    " and resid "7   " and name "HA  ")
     (segid "    " and resid "7   " and name "HD21")
      3.500     1.500     1.500 peak  4262 weight  0.10000E+01 volume  0.56400E+00 ppm1      3.861 ppm2     -0.065
 OR { 4262}
     (segid "    " and resid "7   " and name "HA  ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 4262}
     (segid "    " and resid "7   " and name "HA  ")
     (segid "    " and resid "7   " and name "HD22")
 ASSI { 7600}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HG2 ")
      3.200     1.300     1.300 peak  7600 weight  0.10000E+01 volume  0.29200E+00 ppm1      4.828 ppm2     -0.826
 ASSI { 6279}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD22")
      3.700     1.700     1.700 peak  6279 weight  0.10000E+01 volume  0.65100E+00 ppm1      7.025 ppm2     -0.060
 OR { 6279}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 6279}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 6279}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD22")
 OR { 6279}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 6279}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD21")
 ASSI { 6525}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "24  " and name "HG2 ")
      2.800     1.000     1.000 peak  6525 weight  0.10000E+01 volume  0.59300E+00 ppm1      6.910 ppm2      2.083
 OR { 6525}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "24  " and name "HG2 ")
 ASSI { 6975}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "47  " and name "HG23")
      2.800     1.000     1.000 peak  6975 weight  0.10000E+01 volume  0.36060E+01 ppm1      0.291 ppm2      0.478
 OR { 6975}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6975}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "47  " and name "HG22")
 OR { 6975}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6975}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "47  " and name "HG21")
 OR { 6975}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "47  " and name "HG22")
 OR { 6975}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "47  " and name "HG11")
 OR { 6975}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "47  " and name "HG22")
 OR { 6975}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "47  " and name "HG11")
 ASSI { 7380}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HB1 ")
      5.000     3.100     1.000 peak  7380 weight  0.10000E+01 volume -0.45600E+00 ppm1      1.266 ppm2      1.572
 OR { 7380}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 7380}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 7380}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 7380}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI { 7205}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD21")
      3.400     1.400     1.400 peak  7205 weight  0.10000E+01 volume  0.61800E+00 ppm1      1.266 ppm2      0.318
 OR { 7205}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "77  " and name "HD21")
 OR { 7205}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "77  " and name "HD23")
 OR { 7205}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD23")
 OR { 7205}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HD21")
 OR { 7205}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HD22")
 OR { 7205}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "77  " and name "HD22")
 OR { 7205}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HD23")
 ASSI { 6708}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HB1 ")
      3.500     1.500     1.500 peak  6708 weight  0.10000E+01 volume  0.26600E+00 ppm1      1.318 ppm2      1.693
 OR { 6708}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HB1 ")
 OR { 6708}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "32  " and name "HB1 ")
 OR { 6708}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 6708}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 6708}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "32  " and name "HB2 ")
 ASSI { 6928}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "45  " and name "HB1 ")
      3.100     1.200     1.200 peak  6928 weight  0.10000E+01 volume  0.52300E+00 ppm1      0.484 ppm2      2.143
 OR { 6928}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 6928}
     (segid "    " and resid "47  " and name "HG23")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 6555}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "25  " and name "HB3 ")
      2.700     0.900     0.900 peak  6555 weight  0.10000E+01 volume  0.40960E+01 ppm1      0.483 ppm2      1.189
 OR { 6555}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "25  " and name "HB3 ")
 OR { 6555}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 6555}
     (segid "    " and resid "85  " and name "HG11")
     (segid "    " and resid "25  " and name "HB3 ")
 OR { 6555}
     (segid "    " and resid "85  " and name "HG13")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 6555}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 6555}
     (segid "    " and resid "85  " and name "HG12")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 7372}
     (segid "    " and resid "90  " and name "HG21")
     (segid "    " and resid "90  " and name "HA  ")
      2.600     0.800     0.800 peak  7372 weight  0.10000E+01 volume  0.31210E+01 ppm1      1.029 ppm2      4.074
 OR { 7372}
     (segid "    " and resid "90  " and name "HG23")
     (segid "    " and resid "90  " and name "HA  ")
 OR { 7372}
     (segid "    " and resid "90  " and name "HG22")
     (segid "    " and resid "90  " and name "HA  ")
 ASSI { 7435}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "97  " and name "HA  ")
      5.000     3.100     1.000 peak  7435 weight  0.10000E+01 volume -0.40300E+00 ppm1      0.703 ppm2      5.118
 OR { 7435}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "97  " and name "HA  ")
 OR { 7435}
     (segid "    " and resid "96  " and name "HG11")
     (segid "    " and resid "97  " and name "HA  ")
 OR { 7435}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "97  " and name "HA  ")
 OR { 7435}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "97  " and name "HA  ")
 ASSI { 6963}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "47  " and name "HB  ")
      5.000     3.100     1.000 peak  6963 weight  0.10000E+01 volume -0.35000E+00 ppm1      1.113 ppm2      1.543
 OR { 6963}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "47  " and name "HB  ")
 OR { 6963}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "47  " and name "HB  ")
 ASSI { 6323}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "47  " and name "HB  ")
      5.000     3.100     1.000 peak  6323 weight  0.10000E+01 volume -0.13530E+01 ppm1      1.189 ppm2      1.563
 OR { 6323}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "47  " and name "HB  ")
 OR { 6323}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "47  " and name "HB  ")
 ASSI { 7181}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "75  " and name "HB2 ")
      3.100     1.200     1.200 peak  7181 weight  0.10000E+01 volume  0.49500E+00 ppm1      1.550 ppm2      1.261
 OR { 7181}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 7181}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "75  " and name "HB2 ")
 OR { 7181}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 7181}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "75  " and name "HB3 ")
 OR { 7181}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "75  " and name "HB3 ")
 ASSI { 6617}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "91  " and name "HD22")
      3.100     1.200     1.200 peak  6617 weight  0.10000E+01 volume  0.53700E+00 ppm1      2.029 ppm2      0.780
 OR { 6617}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 6617}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "91  " and name "HD23")
 ASSI { 7381}
     (segid "    " and resid "89  " and name "HG2 ")
     (segid "    " and resid "91  " and name "HD12")
      5.000     3.100     1.000 peak  7381 weight  0.10000E+01 volume -0.74900E+00 ppm1      2.164 ppm2      0.789
 OR { 7381}
     (segid "    " and resid "89  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 7381}
     (segid "    " and resid "89  " and name "HG2 ")
     (segid "    " and resid "91  " and name "HD11")
 OR { 7381}
     (segid "    " and resid "89  " and name "HG2 ")
     (segid "    " and resid "91  " and name "HD13")
 OR { 7381}
     (segid "    " and resid "89  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD11")
 OR { 7381}
     (segid "    " and resid "89  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 7447}
     (segid "    " and resid "10  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HA  ")
      3.000     1.100     1.100 peak  7447 weight  0.10000E+01 volume  0.36100E+00 ppm1      1.988 ppm2      4.619
 ASSI { 7198}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "77  " and name "HD22")
      3.900     1.900     1.900 peak  7198 weight  0.10000E+01 volume  0.42400E+00 ppm1      6.661 ppm2      0.318
 OR { 7198}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "77  " and name "HD23")
 OR { 7198}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "77  " and name "HD21")
 OR { 7198}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "77  " and name "HD21")
 ASSI { 7133}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "66  " and name "HB2 ")
      2.800     1.000     1.000 peak  7133 weight  0.10000E+01 volume  0.10270E+01 ppm1      6.766 ppm2      1.899
 OR { 7133}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "66  " and name "HB2 ")
 ASSI {  859}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG1 ")
      3.000     1.100     1.100 peak   859 weight  0.10000E+01 volume  0.71000E+00 ppm1      6.688 ppm2      2.040
 ASSI { 7130}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     3.100     1.000 peak  7130 weight  0.10000E+01 volume -0.15860E+01 ppm1      6.769 ppm2      4.419
 OR { 7130}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 7157}
     (segid "    " and resid "4   " and name "HE3 ")
     (segid "    " and resid "79  " and name "HE1 ")
      4.400     2.400     1.600 peak  7157 weight  0.10000E+01 volume  0.23900E+00 ppm1      2.140 ppm2      6.696
 OR { 7157}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "79  " and name "HE1 ")
 OR { 7157}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "79  " and name "HE1 ")
 OR { 7157}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "79  " and name "HE2 ")
 ASSI { 6641}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "35  " and name "HA  ")
      5.000     3.100     1.000 peak  6641 weight  0.10000E+01 volume -0.40600E+00 ppm1      2.110 ppm2      4.582
 OR { 6641}
     (segid "    " and resid "4   " and name "HE3 ")
     (segid "    " and resid "35  " and name "HA  ")
 OR { 6641}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "35  " and name "HA  ")
 ASSI { 7260}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "87  " and name "HB1 ")
      3.300     1.400     1.400 peak  7260 weight  0.10000E+01 volume  0.34400E+00 ppm1      0.855 ppm2      2.101
 OR { 7260}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "87  " and name "HB2 ")
 OR { 7260}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "87  " and name "HB1 ")
 OR { 7260}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "87  " and name "HB1 ")
 OR { 7260}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "87  " and name "HB2 ")
 ASSI { 6933}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "45  " and name "HB2 ")
      3.000     1.100     1.100 peak  6933 weight  0.10000E+01 volume  0.66900E+00 ppm1      0.483 ppm2      1.972
 OR { 6933}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 6933}
     (segid "    " and resid "47  " and name "HG23")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 7080}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "95  " and name "HD2 ")
      3.200     1.300     1.300 peak  7080 weight  0.10000E+01 volume  0.42900E+00 ppm1      0.697 ppm2      1.620
 OR { 7080}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "95  " and name "HD1 ")
 OR { 7080}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "95  " and name "HD2 ")
 OR { 7080}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "95  " and name "HD2 ")
 OR { 7080}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "95  " and name "HD1 ")
 OR { 7080}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "95  " and name "HD1 ")
 ASSI { 7330}
     (segid "    " and resid "28  " and name "HD13")
     (segid "    " and resid "85  " and name "HA  ")
      5.000     3.100     1.000 peak  7330 weight  0.10000E+01 volume -0.40100E+00 ppm1      0.789 ppm2      5.342
 OR { 7330}
     (segid "    " and resid "28  " and name "HD12")
     (segid "    " and resid "85  " and name "HA  ")
 OR { 7330}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "85  " and name "HA  ")
 ASSI { 6457}
     (segid "    " and resid "91  " and name "HD13")
     (segid "    " and resid "21  " and name "HB1 ")
      3.300     1.400     1.400 peak  6457 weight  0.10000E+01 volume  0.38100E+00 ppm1      0.786 ppm2      1.501
 OR { 6457}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 6457}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 6506}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     3.100     1.000 peak  6506 weight  0.10000E+01 volume -0.53500E+00 ppm1      0.786 ppm2      4.944
 OR { 6506}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 6506}
     (segid "    " and resid "91  " and name "HD13")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 7373}
     (segid "    " and resid "91  " and name "HD21")
     (segid "    " and resid "90  " and name "HA  ")
      3.800     1.800     1.800 peak  7373 weight  0.10000E+01 volume  0.29400E+00 ppm1      0.770 ppm2      4.048
 OR { 7373}
     (segid "    " and resid "91  " and name "HD22")
     (segid "    " and resid "90  " and name "HA  ")
 OR { 7373}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "90  " and name "HA  ")
 ASSI { 6258}
     (segid "    " and resid "7   " and name "HG  ")
     (segid "    " and resid "7   " and name "HB1 ")
      5.000     3.100     1.000 peak  6258 weight  0.10000E+01 volume -0.57200E+00 ppm1      0.791 ppm2      1.064
 ASSI { 7284}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "84  " and name "HA  ")
      3.000     1.100     1.100 peak  7284 weight  0.10000E+01 volume  0.37500E+00 ppm1      1.625 ppm2      4.331
 ASSI { 6867}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "41  " and name "HD11")
      3.200     1.300     1.300 peak  6867 weight  0.10000E+01 volume  0.44200E+00 ppm1      1.579 ppm2      0.292
 OR { 6867}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6867}
     (segid "    " and resid "84  " and name "HG11")
     (segid "    " and resid "41  " and name "HD12")
 ASSI { 6592}
     (segid "    " and resid "43  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HA  ")
      5.000     3.100     1.000 peak  6592 weight  0.10000E+01 volume -0.31900E+00 ppm1      1.298 ppm2      4.277
 ASSI { 7128}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG23")
      2.700     0.900     0.900 peak  7128 weight  0.10000E+01 volume  0.11690E+01 ppm1      1.951 ppm2      1.030
 OR { 7128}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 7128}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "100 " and name "HG22")
 ASSI { 6608}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD12")
      5.000     3.100     1.000 peak  6608 weight  0.10000E+01 volume -0.76600E+00 ppm1      3.159 ppm2      0.792
 OR { 6608}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD11")
 OR { 6608}
     (segid "    " and resid "86  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HD13")
 ASSI { 6368}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "97  " and name "HA  ")
      5.000     3.100     1.000 peak  6368 weight  0.10000E+01 volume -0.85000E+00 ppm1      0.797 ppm2      5.090
 OR { 6368}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "97  " and name "HA  ")
 OR { 6368}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "97  " and name "HA  ")
 ASSI {  879}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG2 ")
      2.600     0.800     0.800 peak   879 weight  0.10000E+01 volume  0.13850E+01 ppm1      6.679 ppm2      1.917
 ASSI { 6385}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "74  " and name "HB2 ")
      3.500     1.500     1.500 peak  6385 weight  0.10000E+01 volume  0.89800E+00 ppm1      6.680 ppm2      1.274
 OR { 6385}
     (segid "    " and resid "69  " and name "HE2 ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 6385}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 6385}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 6385}
     (segid "    " and resid "69  " and name "HE1 ")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 6267}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD12")
      3.700     1.700     1.700 peak  6267 weight  0.10000E+01 volume  0.64300E+00 ppm1      7.027 ppm2      0.530
 OR { 6267}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 6267}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 6267}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD13")
 ASSI { 6862}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HD11")
      3.500     1.500     1.500 peak  6862 weight  0.10000E+01 volume  0.77200E+00 ppm1      7.397 ppm2      0.292
 OR { 6862}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6862}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HD13")
 ASSI { 7309}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD13")
      3.100     1.200     1.200 peak  7309 weight  0.10000E+01 volume  0.16260E+01 ppm1      7.395 ppm2      0.671
 OR { 7309}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 7309}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 7309}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 7309}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 6973}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "47  " and name "HG23")
      2.900     1.100     1.100 peak  6973 weight  0.10000E+01 volume  0.25600E+01 ppm1      0.693 ppm2      0.474
 OR { 6973}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "47  " and name "HG22")
 OR { 6973}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "47  " and name "HG23")
 OR { 6973}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "47  " and name "HG21")
 OR { 6973}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "47  " and name "HG22")
 OR { 6973}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "47  " and name "HG21")
 OR { 6973}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "47  " and name "HG23")
 OR { 6973}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "47  " and name "HG22")
 ASSI { 7344}
     (segid "    " and resid "75  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HD1 ")
      5.000     3.100     1.000 peak  7344 weight  0.10000E+01 volume -0.37500E+00 ppm1      1.268 ppm2      3.171
 OR { 7344}
     (segid "    " and resid "75  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 7344}
     (segid "    " and resid "75  " and name "HB3 ")
     (segid "    " and resid "76  " and name "HD1 ")
 OR { 7344}
     (segid "    " and resid "75  " and name "HB3 ")
     (segid "    " and resid "76  " and name "HD2 ")
 ASSI { 5024}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "11  " and name "HE1 ")
      6.000     4.500     0.000 peak  5024 weight  0.10000E+01 volume -0.29300E+00 ppm1      0.845 ppm2      3.203
 OR { 5024}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 5024}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 5024}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 7141}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
      5.000     3.100     1.000 peak  7141 weight  0.10000E+01 volume -0.36600E+00 ppm1      1.031 ppm2      2.603
 OR { 7141}
     (segid "    " and resid "65  " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 7141}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 7141}
     (segid "    " and resid "65  " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 6871}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "41  " and name "HD12")
      3.600     1.600     1.600 peak  6871 weight  0.10000E+01 volume  0.78400E+00 ppm1      1.057 ppm2      0.292
 OR { 6871}
     (segid "    " and resid "65  " and name "HG13")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6871}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6871}
     (segid "    " and resid "65  " and name "HG11")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6871}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6871}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6871}
     (segid "    " and resid "65  " and name "HG12")
     (segid "    " and resid "41  " and name "HD11")
 ASSI { 7518}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "45  " and name "HA  ")
      5.000     3.100     1.000 peak  7518 weight  0.10000E+01 volume -0.56600E+00 ppm1      0.988 ppm2      4.266
 OR { 7518}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 7518}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 6907}
     (segid "    " and resid "28  " and name "HD12")
     (segid "    " and resid "86  " and name "HD2 ")
      5.000     3.100     1.000 peak  6907 weight  0.10000E+01 volume -0.10460E+01 ppm1      0.787 ppm2      3.202
 OR { 6907}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "86  " and name "HD2 ")
 OR { 6907}
     (segid "    " and resid "28  " and name "HD13")
     (segid "    " and resid "86  " and name "HD1 ")
 OR { 6907}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "86  " and name "HD1 ")
 OR { 6907}
     (segid "    " and resid "28  " and name "HD13")
     (segid "    " and resid "86  " and name "HD2 ")
 ASSI { 7182}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "74  " and name "HB1 ")
      4.100     2.100     1.900 peak  7182 weight  0.10000E+01 volume  0.36100E+00 ppm1      0.736 ppm2      1.276
 OR { 7182}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 7182}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 7182}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 7182}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 7182}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 7182}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 6649}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     3.100     1.000 peak  6649 weight  0.10000E+01 volume -0.89400E+00 ppm1      0.780 ppm2      2.234
 OR { 6649}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 6649}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 6649}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 6649}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 6649}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 6649}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "29  " and name "HG1 ")
 ASSI { 7461}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "60  " and name "HB2 ")
      5.000     3.100     1.000 peak  7461 weight  0.10000E+01 volume -0.63900E+00 ppm1      0.788 ppm2      3.060
 OR { 7461}
     (segid "    " and resid "53  " and name "HD22")
     (segid "    " and resid "60  " and name "HB1 ")
 OR { 7461}
     (segid "    " and resid "53  " and name "HD23")
     (segid "    " and resid "60  " and name "HB2 ")
 OR { 7461}
     (segid "    " and resid "53  " and name "HD21")
     (segid "    " and resid "60  " and name "HB1 ")
 ASSI { 7403}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HD1 ")
      5.000     3.100     1.000 peak  7403 weight  0.10000E+01 volume -0.35400E+00 ppm1      1.598 ppm2      3.698
 ASSI { 6665}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "92  " and name "HA  ")
      5.000     3.100     1.000 peak  6665 weight  0.10000E+01 volume -0.46500E+00 ppm1      1.588 ppm2      4.600
 ASSI { 7450}
     (segid "    " and resid "99  " and name "HD1 ")
     (segid "    " and resid "99  " and name "HA  ")
      5.000     3.100     1.000 peak  7450 weight  0.10000E+01 volume -0.42500E+00 ppm1      1.775 ppm2      4.597
 OR { 7450}
     (segid "    " and resid "99  " and name "HD2 ")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 7430}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG13")
      5.000     3.100     1.000 peak  7430 weight  0.10000E+01 volume -0.63700E+00 ppm1      2.357 ppm2      0.696
 OR { 7430}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 7430}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 7430}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 7430}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG11")
 ASSI { 6621}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD22")
      5.000     3.100     1.000 peak  6621 weight  0.10000E+01 volume -0.76900E+00 ppm1      1.793 ppm2      0.780
 OR { 6621}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 6621}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD23")
 ASSI { 6812}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "39  " and name "HA  ")
      5.000     3.100     1.000 peak  6812 weight  0.10000E+01 volume -0.33500E+00 ppm1      0.291 ppm2      4.643
 OR { 6812}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 6812}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "39  " and name "HA  ")
 ASSI { 7470}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG23")
      5.000     3.100     1.000 peak  7470 weight  0.10000E+01 volume -0.13300E+01 ppm1      2.673 ppm2      0.952
 OR { 7470}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 7470}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 7470}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "100 " and name "HG21")
 ASSI { 6529}
     (segid "    " and resid "91  " and name "HD22")
     (segid "    " and resid "24  " and name "HG1 ")
      2.800     1.000     1.000 peak  6529 weight  0.10000E+01 volume  0.91700E+00 ppm1      0.764 ppm2      2.195
 OR { 6529}
     (segid "    " and resid "91  " and name "HD21")
     (segid "    " and resid "24  " and name "HG1 ")
 OR { 6529}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 6615}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD23")
      5.000     3.100     1.000 peak  6615 weight  0.10000E+01 volume -0.78600E+00 ppm1      4.359 ppm2      0.797
 OR { 6615}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 6615}
     (segid "    " and resid "91  " and name "HA  ")
     (segid "    " and resid "91  " and name "HD22")
 ASSI { 7517}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "108 " and name "HA  ")
      5.000     3.100     1.000 peak  7517 weight  0.10000E+01 volume -0.15410E+01 ppm1      6.684 ppm2      4.253
 ASSI { 6734}
     (segid "    " and resid "34  " and name "HA  ")
     (segid "    " and resid "34  " and name "HG1 ")
      2.700     0.900     0.900 peak  6734 weight  0.10000E+01 volume  0.71600E+00 ppm1      6.929 ppm2      1.505
 ASSI { 1068}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HA  ")
      3.600     1.600     1.600 peak  1068 weight  0.10000E+01 volume  0.45900E+00 ppm1      6.689 ppm2      4.108
 ASSI { 6796}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     3.100     1.000 peak  6796 weight  0.10000E+01 volume -0.60400E+00 ppm1      6.929 ppm2      3.145
 ASSI { 7256}
     (segid "    " and resid "61  " and name "HH2 ")
     (segid "    " and resid "87  " and name "HB1 ")
      2.800     1.000     1.000 peak  7256 weight  0.10000E+01 volume  0.88900E+00 ppm1      7.138 ppm2      2.103
 OR { 7256}
     (segid "    " and resid "61  " and name "HH2 ")
     (segid "    " and resid "87  " and name "HB2 ")
 ASSI { 7265}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "81  " and name "HG1 ")
      3.300     1.400     1.400 peak  7265 weight  0.10000E+01 volume  0.37000E+00 ppm1      7.019 ppm2      1.931
 OR { 7265}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "81  " and name "HG1 ")
 ASSI { 4394}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     3.100     1.000 peak  4394 weight  0.10000E+01 volume -0.47800E+00 ppm1      7.127 ppm2      4.370
 ASSI { 6454}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HB1 ")
      3.100     1.200     1.200 peak  6454 weight  0.10000E+01 volume  0.50500E+00 ppm1      6.915 ppm2      1.501
 OR { 6454}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI {  844}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "3   " and name "HB2 ")
      3.200     1.300     1.300 peak   844 weight  0.10000E+01 volume  0.42800E+00 ppm1      6.795 ppm2      1.859
 ASSI { 6280}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD22")
      3.900     1.900     1.900 peak  6280 weight  0.10000E+01 volume  0.39500E+00 ppm1      6.933 ppm2     -0.066
 OR { 6280}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD23")
 OR { 6280}
     (segid "    " and resid "79  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD21")
 ASSI { 6719}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB2 ")
      3.000     1.100     1.100 peak  6719 weight  0.10000E+01 volume  0.13990E+01 ppm1      7.353 ppm2      1.322
 OR { 6719}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB1 ")
 OR { 6719}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "33  " and name "HB3 ")
 ASSI { 6731}
     (segid "    " and resid "86  " and name "HA  ")
     (segid "    " and resid "86  " and name "HG2 ")
      2.500     0.800     0.800 peak  6731 weight  0.10000E+01 volume  0.99300E+00 ppm1      7.398 ppm2      1.476
 ASSI { 7298}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HG21")
      3.500     1.500     1.500 peak  7298 weight  0.10000E+01 volume  0.77700E+00 ppm1      7.396 ppm2      0.795
 OR { 7298}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "84  " and name "HG22")
 ASSI { 6831}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HA  ")
      3.300     1.400     1.400 peak  6831 weight  0.10000E+01 volume  0.66800E+00 ppm1      7.398 ppm2      4.933
 ASSI { 6974}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "85  " and name "HG11")
      3.200     1.300     1.300 peak  6974 weight  0.10000E+01 volume  0.14230E+01 ppm1      0.673 ppm2      0.486
 OR { 6974}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "85  " and name "HG12")
 OR { 6974}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "85  " and name "HG11")
 OR { 6974}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "85  " and name "HG13")
 OR { 6974}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "85  " and name "HG11")
 OR { 6974}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "85  " and name "HG12")
 ASSI { 6510}
     (segid "    " and resid "24  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     3.100     1.000 peak  6510 weight  0.10000E+01 volume -0.48600E+00 ppm1      1.843 ppm2      4.904
 OR { 6510}
     (segid "    " and resid "24  " and name "HE3 ")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 6510}
     (segid "    " and resid "24  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 6775}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "35  " and name "HB2 ")
      5.000     3.100     1.000 peak  6775 weight  0.10000E+01 volume -0.85100E+00 ppm1      2.113 ppm2      3.061
 OR { 6775}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "35  " and name "HB1 ")
 OR { 6775}
     (segid "    " and resid "4   " and name "HE3 ")
     (segid "    " and resid "35  " and name "HB1 ")
 OR { 6775}
     (segid "    " and resid "4   " and name "HE3 ")
     (segid "    " and resid "35  " and name "HB2 ")
 OR { 6775}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "35  " and name "HB2 ")
 OR { 6775}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "35  " and name "HB1 ")
 ASSI { 6576}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     3.100     1.000 peak  6576 weight  0.10000E+01 volume -0.37300E+00 ppm1      0.797 ppm2      4.559
 OR { 6576}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 6576}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 6972}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "85  " and name "HG11")
      3.300     1.400     1.400 peak  6972 weight  0.10000E+01 volume  0.13280E+01 ppm1      0.789 ppm2      0.486
 OR { 6972}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "85  " and name "HG11")
 OR { 6972}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "85  " and name "HG11")
 OR { 6972}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "85  " and name "HG12")
 OR { 6972}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "85  " and name "HG12")
 OR { 6972}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 7137}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG2 ")
      5.000     5.000     0.000 peak  7137 weight  0.10000E+01 volume -0.51100E+00 ppm1      1.271 ppm2      2.395
 OR { 7137}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG2 ")
 OR { 7137}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG1 ")
 OR { 7137}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG1 ")
 OR { 7137}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "66  " and name "HG1 ")
 ASSI { 7189}
     (segid "    " and resid "75  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HB1 ")
      3.100     1.200     1.200 peak  7189 weight  0.10000E+01 volume  0.51200E+00 ppm1      1.272 ppm2      1.773
 OR { 7189}
     (segid "    " and resid "75  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HB2 ")
 OR { 7189}
     (segid "    " and resid "75  " and name "HB3 ")
     (segid "    " and resid "76  " and name "HB1 ")
 OR { 7189}
     (segid "    " and resid "75  " and name "HB2 ")
     (segid "    " and resid "76  " and name "HB2 ")
 OR { 7189}
     (segid "    " and resid "75  " and name "HB3 ")
     (segid "    " and resid "76  " and name "HB2 ")
 ASSI { 7152}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "69  " and name "HD2 ")
      3.700     1.700     1.700 peak  7152 weight  0.10000E+01 volume  0.65900E+00 ppm1      1.268 ppm2      6.880
 OR { 7152}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD2 ")
 OR { 7152}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD1 ")
 OR { 7152}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD1 ")
 OR { 7152}
     (segid "    " and resid "74  " and name "HB3 ")
     (segid "    " and resid "69  " and name "HD1 ")
 ASSI { 6960}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG23")
      3.800     1.800     1.800 peak  6960 weight  0.10000E+01 volume  0.55800E+00 ppm1      1.244 ppm2      0.701
 OR { 6960}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "96  " and name "HG23")
 OR { 6960}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "96  " and name "HG23")
 OR { 6960}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 6960}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 6960}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "96  " and name "HG22")
 OR { 6960}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "96  " and name "HG22")
 OR { 6960}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 7393}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HE1 ")
      5.000     3.100     1.000 peak  7393 weight  0.10000E+01 volume -0.89600E+00 ppm1      1.251 ppm2      2.854
 OR { 7393}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HE2 ")
 OR { 7393}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "92  " and name "HE2 ")
 OR { 7393}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "92  " and name "HE1 ")
 ASSI { 6472}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "65  " and name "HB  ")
      3.000     1.100     1.100 peak  6472 weight  0.10000E+01 volume  0.60800E+00 ppm1      0.482 ppm2      2.266
 OR { 6472}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "65  " and name "HB  ")
 OR { 6472}
     (segid "    " and resid "47  " and name "HG12")
     (segid "    " and resid "65  " and name "HB  ")
 OR { 6472}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "65  " and name "HB  ")
 ASSI { 6931}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "45  " and name "HB2 ")
      2.700     0.900     0.900 peak  6931 weight  0.10000E+01 volume  0.11530E+01 ppm1      1.026 ppm2      1.972
 OR { 6931}
     (segid "    " and resid "65  " and name "HG22")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 6931}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 6926}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "45  " and name "HB1 ")
      2.700     0.900     0.900 peak  6926 weight  0.10000E+01 volume  0.10930E+01 ppm1      1.028 ppm2      2.127
 OR { 6926}
     (segid "    " and resid "65  " and name "HG22")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 6926}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 7015}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "49  " and name "HA  ")
      3.500     1.500     1.500 peak  7015 weight  0.10000E+01 volume  0.50700E+00 ppm1      0.480 ppm2      4.379
 OR { 7015}
     (segid "    " and resid "47  " and name "HG12")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 7015}
     (segid "    " and resid "47  " and name "HG13")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 6809}
     (segid "    " and resid "90  " and name "HG21")
     (segid "    " and resid "92  " and name "HA  ")
      5.000     3.100     1.000 peak  6809 weight  0.10000E+01 volume -0.72100E+00 ppm1      1.032 ppm2      4.634
 OR { 6809}
     (segid "    " and resid "90  " and name "HG22")
     (segid "    " and resid "92  " and name "HA  ")
 OR { 6809}
     (segid "    " and resid "90  " and name "HG23")
     (segid "    " and resid "92  " and name "HA  ")
 ASSI { 6530}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "24  " and name "HG1 ")
      2.700     0.900     0.900 peak  6530 weight  0.10000E+01 volume  0.10970E+01 ppm1      0.696 ppm2      2.195
 OR { 6530}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "24  " and name "HG1 ")
 OR { 6530}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 6330}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     4.500     0.000 peak  6330 weight  0.10000E+01 volume -0.23900E+00 ppm1      1.119 ppm2      4.892
 OR { 6330}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 6330}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 7234}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "87  " and name "HG1 ")
      6.000     4.500     0.000 peak  7234 weight  0.10000E+01 volume -0.26500E+00 ppm1      1.111 ppm2      2.504
 OR { 7234}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "87  " and name "HG1 ")
 OR { 7234}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "87  " and name "HG1 ")
 ASSI { 7010}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "48  " and name "HE1 ")
      3.800     1.800     1.800 peak  7010 weight  0.10000E+01 volume  0.47200E+00 ppm1      0.776 ppm2      6.745
 OR { 7010}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 7010}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 7010}
     (segid "    " and resid "91  " and name "HD13")
     (segid "    " and resid "48  " and name "HE2 ")
 ASSI { 6909}
     (segid "    " and resid "59  " and name "HD21")
     (segid "    " and resid "58  " and name "HD2 ")
      5.000     3.100     1.000 peak  6909 weight  0.10000E+01 volume -0.36800E+00 ppm1      0.655 ppm2      3.215
 OR { 6909}
     (segid "    " and resid "59  " and name "HD21")
     (segid "    " and resid "58  " and name "HD1 ")
 OR { 6909}
     (segid "    " and resid "59  " and name "HD23")
     (segid "    " and resid "58  " and name "HD2 ")
 OR { 6909}
     (segid "    " and resid "59  " and name "HD23")
     (segid "    " and resid "58  " and name "HD1 ")
 OR { 6909}
     (segid "    " and resid "59  " and name "HD22")
     (segid "    " and resid "58  " and name "HD1 ")
 ASSI { 6971}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG13")
      3.400     1.400     1.400 peak  6971 weight  0.10000E+01 volume  0.99500E+00 ppm1      0.892 ppm2      0.478
 OR { 6971}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG22")
 OR { 6971}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6971}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6971}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "47  " and name "HG11")
 OR { 6971}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "47  " and name "HG13")
 OR { 6971}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "47  " and name "HG11")
 OR { 6971}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "47  " and name "HG12")
 OR { 6971}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "47  " and name "HG22")
 ASSI { 7467}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "50  " and name "HA  ")
      4.000     2.000     2.000 peak  7467 weight  0.10000E+01 volume  0.23400E+00 ppm1      0.531 ppm2      4.497
 OR { 7467}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 7467}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 6624}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD23")
      2.700     0.900     0.900 peak  6624 weight  0.10000E+01 volume  0.12750E+01 ppm1      1.721 ppm2      0.780
 OR { 6624}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 6624}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD22")
 ASSI { 6717}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     3.100     1.000 peak  6717 weight  0.10000E+01 volume -0.31200E+00 ppm1      1.331 ppm2      4.062
 ASSI { 6838}
     (segid "    " and resid "41  " and name "HG11")
     (segid "    " and resid "41  " and name "HA  ")
      2.700     0.900     0.900 peak  6838 weight  0.10000E+01 volume  0.60500E+00 ppm1      1.449 ppm2      4.418
 ASSI { 6806}
     (segid "    " and resid "93  " and name "HG2 ")
     (segid "    " and resid "92  " and name "HA  ")
      5.000     3.100     1.000 peak  6806 weight  0.10000E+01 volume -0.43900E+00 ppm1      1.934 ppm2      4.595
 ASSI { 7454}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "99  " and name "HA  ")
      5.000     3.100     1.000 peak  7454 weight  0.10000E+01 volume -0.57000E+00 ppm1      1.547 ppm2      4.601
 ASSI { 7364}
     (segid "    " and resid "95  " and name "HD1 ")
     (segid "    " and resid "95  " and name "HA  ")
      5.000     3.100     1.000 peak  7364 weight  0.10000E+01 volume -0.10050E+01 ppm1      1.639 ppm2      4.536
 OR { 7364}
     (segid "    " and resid "95  " and name "HD2 ")
     (segid "    " and resid "95  " and name "HA  ")
 ASSI { 7317}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD13")
      3.800     1.800     1.800 peak  7317 weight  0.10000E+01 volume  0.16200E+00 ppm1      2.065 ppm2      0.679
 OR { 7317}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 7317}
     (segid "    " and resid "81  " and name "HB1 ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 6956}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG12")
      2.800     1.000     1.000 peak  6956 weight  0.10000E+01 volume  0.88900E+00 ppm1      2.031 ppm2      0.697
 OR { 6956}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 6956}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "46  " and name "HG13")
 ASSI { 7449}
     (segid "    " and resid "99  " and name "HB2 ")
     (segid "    " and resid "99  " and name "HA  ")
      5.000     3.100     1.000 peak  7449 weight  0.10000E+01 volume -0.93000E+00 ppm1      1.835 ppm2      4.577
 ASSI { 7512}
     (segid "    " and resid "108 " and name "HG1 ")
     (segid "    " and resid "106 " and name "HD2 ")
      5.000     3.100     1.000 peak  7512 weight  0.10000E+01 volume -0.45900E+00 ppm1      2.425 ppm2      6.807
 OR { 7512}
     (segid "    " and resid "108 " and name "HG2 ")
     (segid "    " and resid "106 " and name "HD2 ")
 ASSI { 7074}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "98  " and name "HB  ")
      2.500     0.800     0.800 peak  7074 weight  0.10000E+01 volume  0.47100E+00 ppm1      2.666 ppm2      1.895
 OR { 7074}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "98  " and name "HB  ")
 ASSI { 7183}
     (segid "    " and resid "76  " and name "HD1 ")
     (segid "    " and resid "76  " and name "HA  ")
      2.400     2.400     2.600 peak  7183 weight  0.10000E+01 volume  0.12570E+01 ppm1      3.168 ppm2      4.303
 OR { 7183}
     (segid "    " and resid "76  " and name "HD2 ")
     (segid "    " and resid "76  " and name "HA  ")
 ASSI { 6518}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HB1 ")
      5.000     3.100     1.000 peak  6518 weight  0.10000E+01 volume -0.64100E+00 ppm1      6.774 ppm2      1.839
 OR { 6518}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 7523}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD22")
      3.500     1.500     1.500 peak  7523 weight  0.10000E+01 volume  0.76500E+00 ppm1      6.570 ppm2     -0.065
 OR { 7523}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 7523}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD23")
 ASSI {  865}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "3   " and name "HG2 ")
      2.900     1.100     1.100 peak   865 weight  0.10000E+01 volume  0.59000E+00 ppm1      6.788 ppm2      1.910
 ASSI {  853}
     (segid "    " and resid "106 " and name "HD2 ")
     (segid "    " and resid "3   " and name "HG1 ")
      3.200     1.300     1.300 peak   853 weight  0.10000E+01 volume  0.41400E+00 ppm1      6.790 ppm2      2.036
 ASSI { 7536}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD12")
      3.900     1.900     1.900 peak  7536 weight  0.10000E+01 volume  0.43000E+00 ppm1      7.334 ppm2      0.547
 OR { 7536}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 7536}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD12")
 OR { 7536}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 7536}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD13")
 ASSI { 6765}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "34  " and name "HD2 ")
      5.000     3.100     1.000 peak  6765 weight  0.10000E+01 volume -0.47200E+00 ppm1      7.349 ppm2      3.233
 OR { 6765}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "34  " and name "HD2 ")
 ASSI { 6747}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "34  " and name "HD1 ")
      5.000     3.100     1.000 peak  6747 weight  0.10000E+01 volume -0.57400E+00 ppm1      7.358 ppm2      3.796
 OR { 6747}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "34  " and name "HD1 ")
 ASSI { 6732}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HG  ")
      2.600     0.800     0.800 peak  6732 weight  0.10000E+01 volume  0.90800E+00 ppm1      7.353 ppm2      1.505
 ASSI { 7538}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD23")
      4.000     2.000     2.000 peak  7538 weight  0.10000E+01 volume  0.35900E+00 ppm1      7.072 ppm2     -0.065
 OR { 7538}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 7538}
     (segid "    " and resid "105 " and name "HD2 ")
     (segid "    " and resid "7   " and name "HD22")
 ASSI { 6824}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD22")
      3.600     1.600     1.600 peak  6824 weight  0.10000E+01 volume  0.80600E+00 ppm1      6.921 ppm2      0.887
 OR { 6824}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 6824}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD21")
 ASSI { 6357}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "12  " and name "HD12")
      4.100     2.100     1.900 peak  6357 weight  0.10000E+01 volume  0.32500E+00 ppm1      0.516 ppm2      0.787
 OR { 6357}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "12  " and name "HD12")
 OR { 6357}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "12  " and name "HD12")
 OR { 6357}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "12  " and name "HD11")
 OR { 6357}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "12  " and name "HD13")
 OR { 6357}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "12  " and name "HD11")
 ASSI { 6655}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "29  " and name "HG1 ")
      2.800     1.000     1.000 peak  6655 weight  0.10000E+01 volume  0.99400E+00 ppm1      0.673 ppm2      2.248
 OR { 6655}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 6655}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 6655}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 6655}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 6610}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "49  " and name "HG13")
      3.400     1.400     1.400 peak  6610 weight  0.10000E+01 volume  0.10710E+01 ppm1      0.515 ppm2      0.692
 OR { 6610}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "49  " and name "HG13")
 OR { 6610}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "49  " and name "HG11")
 OR { 6610}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "49  " and name "HG13")
 OR { 6610}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "49  " and name "HG11")
 OR { 6610}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "49  " and name "HG11")
 ASSI { 6579}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     4.500     0.000 peak  6579 weight  0.10000E+01 volume -0.29700E+00 ppm1      0.673 ppm2      4.549
 OR { 6579}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 6579}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 6921}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "108 " and name "HA  ")
      5.000     3.100     1.000 peak  6921 weight  0.10000E+01 volume -0.41900E+00 ppm1      2.136 ppm2      4.281
 OR { 6921}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "108 " and name "HA  ")
 OR { 6921}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "108 " and name "HA  ")
 ASSI { 7350}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "87  " and name "HA  ")
      5.000     3.100     1.000 peak  7350 weight  0.10000E+01 volume -0.30000E+00 ppm1      0.837 ppm2      4.229
 OR { 7350}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "87  " and name "HA  ")
 OR { 7350}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "87  " and name "HA  ")
 ASSI { 6780}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HB2 ")
      5.000     3.100     1.000 peak  6780 weight  0.10000E+01 volume -0.82200E+00 ppm1      1.319 ppm2      3.132
 OR { 6780}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 6780}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 7127}
     (segid "    " and resid "47  " and name "HG13")
     (segid "    " and resid "65  " and name "HA  ")
      2.800     1.000     1.000 peak  7127 weight  0.10000E+01 volume  0.19120E+01 ppm1      0.481 ppm2      4.642
 OR { 7127}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 7127}
     (segid "    " and resid "47  " and name "HG22")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 7127}
     (segid "    " and resid "47  " and name "HG12")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 7127}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 5182}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "63  " and name "HA1 ")
      6.000     4.500     0.000 peak  5182 weight  0.10000E+01 volume -0.29100E+00 ppm1      0.478 ppm2      5.101
 OR { 5182}
     (segid "    " and resid "47  " and name "HG12")
     (segid "    " and resid "63  " and name "HA1 ")
 OR { 5182}
     (segid "    " and resid "47  " and name "HG13")
     (segid "    " and resid "63  " and name "HA1 ")
 ASSI { 6987}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     4.500     0.000 peak  6987 weight  0.10000E+01 volume -0.25100E+00 ppm1      0.482 ppm2      4.905
 OR { 6987}
     (segid "    " and resid "47  " and name "HG12")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 6987}
     (segid "    " and resid "47  " and name "HG13")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 7417}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "95  " and name "HG1 ")
      2.600     0.800     0.800 peak  7417 weight  0.10000E+01 volume  0.13560E+01 ppm1      0.699 ppm2      1.264
 OR { 7417}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "95  " and name "HG1 ")
 OR { 7417}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "95  " and name "HG1 ")
 OR { 7417}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "95  " and name "HG2 ")
 ASSI { 6375}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "13  " and name "HB2 ")
      5.000     3.100     1.000 peak  6375 weight  0.10000E+01 volume -0.43800E+00 ppm1      0.703 ppm2      3.377
 OR { 6375}
     (segid "    " and resid "96  " and name "HG11")
     (segid "    " and resid "13  " and name "HB2 ")
 OR { 6375}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "13  " and name "HB2 ")
 OR { 6375}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "13  " and name "HB2 ")
 ASSI { 6414}
     (segid "    " and resid "96  " and name "HG11")
     (segid "    " and resid "16  " and name "HB2 ")
      2.500     0.800     0.800 peak  6414 weight  0.10000E+01 volume  0.19620E+01 ppm1      0.702 ppm2      2.143
 OR { 6414}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 6414}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 6414}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "16  " and name "HB1 ")
 ASSI { 7466}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "100 " and name "HA  ")
      2.700     0.900     0.900 peak  7466 weight  0.10000E+01 volume  0.23110E+01 ppm1      0.949 ppm2      4.496
 OR { 7466}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "100 " and name "HA  ")
 OR { 7466}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "100 " and name "HA  ")
 ASSI { 7438}
     (segid "    " and resid "98  " and name "HG11")
     (segid "    " and resid "98  " and name "HA  ")
      2.600     0.800     0.800 peak  7438 weight  0.10000E+01 volume  0.33100E+01 ppm1      1.059 ppm2      4.431
 OR { 7438}
     (segid "    " and resid "98  " and name "HG13")
     (segid "    " and resid "98  " and name "HA  ")
 OR { 7438}
     (segid "    " and resid "98  " and name "HG12")
     (segid "    " and resid "98  " and name "HA  ")
 ASSI { 6301}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "8   " and name "HB3 ")
      4.400     2.400     1.600 peak  6301 weight  0.10000E+01 volume  0.22800E+00 ppm1      0.534 ppm2      1.733
 OR { 6301}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 6301}
     (segid "    " and resid "7   " and name "HD13")
     (segid "    " and resid "8   " and name "HB2 ")
 OR { 6301}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 6301}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "8   " and name "HB2 ")
 OR { 6301}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "8   " and name "HB2 ")
 ASSI { 7259}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD1 ")
      2.200     0.600     0.600 peak  7259 weight  0.10000E+01 volume  0.10360E+01 ppm1      1.188 ppm2      2.104
 OR { 7259}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 ASSI { 7079}
     (segid "    " and resid "12  " and name "HD23")
     (segid "    " and resid "54  " and name "HD1 ")
      2.700     0.900     0.900 peak  7079 weight  0.10000E+01 volume  0.13020E+01 ppm1      0.721 ppm2      1.634
 OR { 7079}
     (segid "    " and resid "12  " and name "HD21")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 7079}
     (segid "    " and resid "12  " and name "HD22")
     (segid "    " and resid "54  " and name "HD1 ")
 ASSI { 7419}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "54  " and name "HD1 ")
      2.900     1.100     1.100 peak  7419 weight  0.10000E+01 volume  0.77000E+00 ppm1      0.796 ppm2      1.639
 OR { 7419}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 7419}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "54  " and name "HD1 ")
 ASSI { 7126}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "65  " and name "HA  ")
      3.900     1.900     1.900 peak  7126 weight  0.10000E+01 volume  0.27800E+00 ppm1      0.974 ppm2      4.668
 OR { 7126}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 7126}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 7082}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "54  " and name "HE2 ")
      5.000     3.100     1.000 peak  7082 weight  0.10000E+01 volume -0.13940E+01 ppm1      0.795 ppm2      2.888
 OR { 7082}
     (segid "    " and resid "12  " and name "HD13")
     (segid "    " and resid "54  " and name "HE1 ")
 OR { 7082}
     (segid "    " and resid "12  " and name "HD11")
     (segid "    " and resid "54  " and name "HE2 ")
 OR { 7082}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "54  " and name "HE2 ")
 OR { 7082}
     (segid "    " and resid "12  " and name "HD12")
     (segid "    " and resid "54  " and name "HE1 ")
 ASSI { 7345}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "76  " and name "HD1 ")
      6.000     4.500     0.000 peak  7345 weight  0.10000E+01 volume -0.23700E+00 ppm1      0.971 ppm2      3.160
 OR { 7345}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 7345}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "76  " and name "HD1 ")
 OR { 7345}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "76  " and name "HD1 ")
 OR { 7345}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 7345}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "76  " and name "HD2 ")
 ASSI { 6908}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "86  " and name "HD1 ")
      5.000     3.100     1.000 peak  6908 weight  0.10000E+01 volume -0.76300E+00 ppm1      0.781 ppm2      3.198
 OR { 6908}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "86  " and name "HD2 ")
 OR { 6908}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "86  " and name "HD2 ")
 OR { 6908}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "86  " and name "HD2 ")
 ASSI { 6671}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "86  " and name "HA  ")
      5.000     3.100     1.000 peak  6671 weight  0.10000E+01 volume -0.10130E+01 ppm1      0.779 ppm2      4.762
 OR { 6671}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "86  " and name "HA  ")
 OR { 6671}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "86  " and name "HA  ")
 ASSI { 6453}
     (segid "    " and resid "91  " and name "HD21")
     (segid "    " and resid "21  " and name "HA  ")
      3.900     1.900     1.900 peak  6453 weight  0.10000E+01 volume  0.25900E+00 ppm1      0.771 ppm2      3.535
 OR { 6453}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 6453}
     (segid "    " and resid "91  " and name "HD22")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 7062}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD11")
      2.800     1.000     1.000 peak  7062 weight  0.10000E+01 volume  0.31710E+01 ppm1      1.718 ppm2      0.934
 OR { 7062}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 7062}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 7062}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HD12")
 OR { 7062}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 5681}
     (segid "    " and resid "3   " and name "HG2 ")
     (segid "    " and resid "2   " and name "HA1 ")
      6.000     4.500     0.000 peak  5681 weight  0.10000E+01 volume -0.21900E+00 ppm1      1.904 ppm2      4.380
 ASSI { 6314}
     (segid "    " and resid "10  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HA  ")
      5.000     3.100     1.000 peak  6314 weight  0.10000E+01 volume -0.61000E+00 ppm1      1.552 ppm2      5.209
 ASSI { 6394}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "14  " and name "HB2 ")
      2.800     1.000     1.000 peak  6394 weight  0.10000E+01 volume  0.90400E+00 ppm1      1.592 ppm2      1.263
 OR { 6394}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 6394}
     (segid "    " and resid "92  " and name "HD1 ")
     (segid "    " and resid "14  " and name "HB3 ")
 ASSI { 6957}
     (segid "    " and resid "66  " and name "HB2 ")
     (segid "    " and resid "46  " and name "HG13")
      3.000     1.100     1.100 peak  6957 weight  0.10000E+01 volume  0.56300E+00 ppm1      1.908 ppm2      0.696
 OR { 6957}
     (segid "    " and resid "66  " and name "HB2 ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 6957}
     (segid "    " and resid "66  " and name "HB2 ")
     (segid "    " and resid "46  " and name "HG11")
 ASSI { 7418}
     (segid "    " and resid "93  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HD2 ")
      2.600     0.800     0.800 peak  7418 weight  0.10000E+01 volume  0.40300E+00 ppm1      2.237 ppm2      1.637
 OR { 7418}
     (segid "    " and resid "93  " and name "HB1 ")
     (segid "    " and resid "95  " and name "HD1 ")
 ASSI { 7415}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HG2 ")
      2.200     0.600     0.600 peak  7415 weight  0.10000E+01 volume  0.10400E+01 ppm1      1.712 ppm2      1.293
 ASSI { 6620}
     (segid "    " and resid "86  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD23")
      3.000     1.100     1.100 peak  6620 weight  0.10000E+01 volume  0.60300E+00 ppm1      1.825 ppm2      0.780
 OR { 6620}
     (segid "    " and resid "86  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD21")
 OR { 6620}
     (segid "    " and resid "86  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD22")
 ASSI { 6905}
     (segid "    " and resid "86  " and name "HB1 ")
     (segid "    " and resid "86  " and name "HD1 ")
      2.300     0.700     0.700 peak  6905 weight  0.10000E+01 volume  0.95100E+00 ppm1      1.830 ppm2      3.172
 OR { 6905}
     (segid "    " and resid "86  " and name "HB1 ")
     (segid "    " and resid "86  " and name "HD2 ")
 ASSI { 6423}
     (segid "    " and resid "17  " and name "HG1 ")
     (segid "    " and resid "17  " and name "HB1 ")
      5.000     3.100     1.000 peak  6423 weight  0.10000E+01 volume -0.17890E+01 ppm1      2.293 ppm2      2.232
 OR { 6423}
     (segid "    " and resid "17  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HB1 ")
 ASSI { 6643}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HA  ")
      2.700     0.900     0.900 peak  6643 weight  0.10000E+01 volume  0.67400E+00 ppm1      1.593 ppm2      4.604
 ASSI { 7000}
     (segid "    " and resid "70  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HE2 ")
      6.000     4.500     0.000 peak  7000 weight  0.10000E+01 volume -0.25100E+00 ppm1      3.008 ppm2      6.764
 OR { 7000}
     (segid "    " and resid "70  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HE1 ")
 ASSI { 7385}
     (segid "    " and resid "92  " and name "HE1 ")
     (segid "    " and resid "92  " and name "HB2 ")
      2.400     0.700     0.700 peak  7385 weight  0.10000E+01 volume  0.69300E+00 ppm1      2.848 ppm2      1.563
 OR { 7385}
     (segid "    " and resid "92  " and name "HE2 ")
     (segid "    " and resid "92  " and name "HB2 ")
 ASSI { 6360}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD21")
      5.000     3.100     1.000 peak  6360 weight  0.10000E+01 volume -0.92600E+00 ppm1      2.777 ppm2      0.723
 OR { 6360}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD23")
 OR { 6360}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD22")
 ASSI { 7432}
     (segid "    " and resid "97  " and name "HB1 ")
     (segid "    " and resid "97  " and name "HA  ")
      2.400     0.700     0.700 peak  7432 weight  0.10000E+01 volume  0.13920E+01 ppm1      2.786 ppm2      5.072
 ASSI { 6662}
     (segid "    " and resid "86  " and name "HB1 ")
     (segid "    " and resid "86  " and name "HA  ")
      5.000     3.100     1.000 peak  6662 weight  0.10000E+01 volume -0.91400E+00 ppm1      1.828 ppm2      4.750
 ASSI { 6612}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HD23")
      3.200     1.300     1.300 peak  6612 weight  0.10000E+01 volume  0.17250E+01 ppm1      6.769 ppm2      0.780
 OR { 6612}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 6612}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 6612}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "91  " and name "HD21")
 ASSI { 6533}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "24  " and name "HE1 ")
      3.800     1.800     1.800 peak  6533 weight  0.10000E+01 volume  0.55600E+00 ppm1      6.910 ppm2      1.843
 OR { 6533}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "24  " and name "HE2 ")
 OR { 6533}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "24  " and name "HE3 ")
 OR { 6533}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "24  " and name "HE1 ")
 OR { 6533}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "24  " and name "HE3 ")
 ASSI {  841}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HB1 ")
      2.800     1.000     1.000 peak   841 weight  0.10000E+01 volume  0.28400E+00 ppm1      6.925 ppm2      1.838
 ASSI { 6618}
     (segid "    " and resid "24  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HD22")
      3.800     1.800     1.800 peak  6618 weight  0.10000E+01 volume  0.53900E+00 ppm1      1.840 ppm2      0.780
 OR { 6618}
     (segid "    " and resid "24  " and name "HE3 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 6618}
     (segid "    " and resid "24  " and name "HE1 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 6618}
     (segid "    " and resid "24  " and name "HE2 ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 6618}
     (segid "    " and resid "24  " and name "HE3 ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 6618}
     (segid "    " and resid "24  " and name "HE3 ")
     (segid "    " and resid "91  " and name "HD23")
 ASSI { 7261}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "81  " and name "HB1 ")
      3.200     1.300     1.300 peak  7261 weight  0.10000E+01 volume  0.42400E+00 ppm1      0.797 ppm2      2.099
 OR { 7261}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "81  " and name "HB1 ")
 OR { 7261}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "81  " and name "HB1 ")
 ASSI { 6578}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     3.100     1.000 peak  6578 weight  0.10000E+01 volume -0.50200E+00 ppm1      0.697 ppm2      4.561
 OR { 6578}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 6578}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 6512}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     4.500     0.000 peak  6512 weight  0.10000E+01 volume -0.23600E+00 ppm1      0.698 ppm2      4.822
 OR { 6512}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 6512}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 6348}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "41  " and name "HG11")
      2.700     0.900     0.900 peak  6348 weight  0.10000E+01 volume  0.10970E+01 ppm1      0.694 ppm2      1.476
 OR { 6348}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "41  " and name "HG11")
 OR { 6348}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "41  " and name "HG11")
 ASSI { 6382}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HA  ")
      3.300     1.400     1.400 peak  6382 weight  0.10000E+01 volume -0.35510E+01 ppm1      1.250 ppm2      4.534
 OR { 6382}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 6382}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 6521}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "85  " and name "HB  ")
      5.000     3.100     1.000 peak  6521 weight  0.10000E+01 volume -0.32400E+00 ppm1      1.395 ppm2      1.797
 OR { 6521}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HB  ")
 OR { 6521}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "85  " and name "HB  ")
 ASSI { 6925}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HB1 ")
      3.200     1.300     1.300 peak  6925 weight  0.10000E+01 volume  0.42700E+00 ppm1      1.395 ppm2      2.155
 OR { 6925}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 6925}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 6962}
     (segid "    " and resid "47  " and name "HG11")
     (segid "    " and resid "47  " and name "HA  ")
      2.500     0.800     0.800 peak  6962 weight  0.10000E+01 volume  0.37580E+01 ppm1      0.483 ppm2      4.563
 OR { 6962}
     (segid "    " and resid "47  " and name "HG13")
     (segid "    " and resid "47  " and name "HA  ")
 OR { 6962}
     (segid "    " and resid "47  " and name "HG21")
     (segid "    " and resid "47  " and name "HA  ")
 OR { 6962}
     (segid "    " and resid "47  " and name "HG12")
     (segid "    " and resid "47  " and name "HA  ")
 ASSI { 7012}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "48  " and name "HE2 ")
      3.700     1.700     1.700 peak  7012 weight  0.10000E+01 volume  0.66900E+00 ppm1      0.697 ppm2      6.765
 OR { 7012}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 7012}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "48  " and name "HE1 ")
 ASSI { 6699}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "24  " and name "HE2 ")
      3.800     1.800     1.800 peak  6699 weight  0.10000E+01 volume  0.52300E+00 ppm1      0.871 ppm2      1.856
 OR { 6699}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "24  " and name "HE2 ")
 OR { 6699}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "24  " and name "HE3 ")
 OR { 6699}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "24  " and name "HE3 ")
 OR { 6699}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "24  " and name "HE1 ")
 OR { 6699}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "24  " and name "HE1 ")
 ASSI { 6947}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "46  " and name "HA  ")
      3.000     1.100     1.100 peak  6947 weight  0.10000E+01 volume  0.11870E+01 ppm1      0.867 ppm2      4.500
 OR { 6947}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 6947}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 6557}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "26  " and name "HA  ")
      3.200     1.300     1.300 peak  6557 weight  0.10000E+01 volume  0.91900E+00 ppm1      0.985 ppm2      4.835
 OR { 6557}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 6557}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 7293}
     (segid "    " and resid "49  " and name "HG21")
     (segid "    " and resid "87  " and name "HG2 ")
      6.000     4.500     0.000 peak  7293 weight  0.10000E+01 volume -0.23800E+00 ppm1      1.119 ppm2      2.165
 OR { 7293}
     (segid "    " and resid "49  " and name "HG23")
     (segid "    " and resid "87  " and name "HG2 ")
 OR { 7293}
     (segid "    " and resid "49  " and name "HG22")
     (segid "    " and resid "87  " and name "HG2 ")
 ASSI { 6710}
     (segid "    " and resid "40  " and name "HG22")
     (segid "    " and resid "32  " and name "HB1 ")
      3.000     1.100     1.100 peak  6710 weight  0.10000E+01 volume  0.64100E+00 ppm1      1.231 ppm2      1.724
 OR { 6710}
     (segid "    " and resid "40  " and name "HG21")
     (segid "    " and resid "32  " and name "HB1 ")
 OR { 6710}
     (segid "    " and resid "40  " and name "HG23")
     (segid "    " and resid "32  " and name "HB1 ")
 OR { 6710}
     (segid "    " and resid "40  " and name "HG23")
     (segid "    " and resid "32  " and name "HB2 ")
 ASSI { 6698}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "24  " and name "HE2 ")
      3.500     1.500     1.500 peak  6698 weight  0.10000E+01 volume  0.84500E+00 ppm1      0.986 ppm2      1.849
 OR { 6698}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "24  " and name "HE2 ")
 OR { 6698}
     (segid "    " and resid "46  " and name "HG23")
     (segid "    " and resid "24  " and name "HE1 ")
 OR { 6698}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "24  " and name "HE1 ")
 OR { 6698}
     (segid "    " and resid "46  " and name "HG22")
     (segid "    " and resid "24  " and name "HE2 ")
 OR { 6698}
     (segid "    " and resid "46  " and name "HG21")
     (segid "    " and resid "24  " and name "HE3 ")
 ASSI { 6700}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "24  " and name "HE3 ")
      3.800     1.800     1.800 peak  6700 weight  0.10000E+01 volume  0.54600E+00 ppm1      0.787 ppm2      1.872
 OR { 6700}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "24  " and name "HE1 ")
 OR { 6700}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "24  " and name "HE3 ")
 OR { 6700}
     (segid "    " and resid "91  " and name "HD13")
     (segid "    " and resid "24  " and name "HE1 ")
 OR { 6700}
     (segid "    " and resid "91  " and name "HD11")
     (segid "    " and resid "24  " and name "HE2 ")
 OR { 6700}
     (segid "    " and resid "91  " and name "HD12")
     (segid "    " and resid "24  " and name "HE2 ")
 ASSI { 6651}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "65  " and name "HB  ")
      3.500     1.500     1.500 peak  6651 weight  0.10000E+01 volume  0.26100E+00 ppm1      0.899 ppm2      2.266
 OR { 6651}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "65  " and name "HB  ")
 OR { 6651}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "65  " and name "HB  ")
 ASSI { 6603}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "39  " and name "HG  ")
      2.300     0.700     0.700 peak  6603 weight  0.10000E+01 volume  0.32410E+01 ppm1      0.897 ppm2      1.572
 OR { 6603}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "39  " and name "HG  ")
 OR { 6603}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "39  " and name "HG  ")
 ASSI { 6515}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "85  " and name "HB  ")
      5.000     3.100     1.000 peak  6515 weight  0.10000E+01 volume -0.18900E+01 ppm1      1.190 ppm2      1.830
 OR { 6515}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "85  " and name "HB  ")
 ASSI { 7292}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "87  " and name "HG2 ")
      5.000     3.100     1.000 peak  7292 weight  0.10000E+01 volume -0.65800E+00 ppm1      1.191 ppm2      2.176
 OR { 7292}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "87  " and name "HG2 ")
 OR { 7292}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "87  " and name "HG2 ")
 ASSI { 7400}
     (segid "    " and resid "95  " and name "HG2 ")
     (segid "    " and resid "93  " and name "HB1 ")
      2.600     0.800     0.800 peak  7400 weight  0.10000E+01 volume  0.41600E+00 ppm1      1.262 ppm2      2.241
 OR { 7400}
     (segid "    " and resid "95  " and name "HG1 ")
     (segid "    " and resid "93  " and name "HB1 ")
 ASSI { 1083}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "65  " and name "HB  ")
      3.700     1.700     1.700 peak  1083 weight  0.10000E+01 volume  0.19000E+00 ppm1      0.973 ppm2      2.266
 OR { 1083}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "65  " and name "HB  ")
 OR { 1083}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "65  " and name "HB  ")
 ASSI { 6577}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     3.100     1.000 peak  6577 weight  0.10000E+01 volume -0.38000E+00 ppm1      0.781 ppm2      4.570
 OR { 6577}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 6577}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 6998}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "48  " and name "HD1 ")
      3.500     1.500     1.500 peak  6998 weight  0.10000E+01 volume  0.97300E+00 ppm1      0.770 ppm2      6.931
 OR { 6998}
     (segid "    " and resid "91  " and name "HD22")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 6998}
     (segid "    " and resid "91  " and name "HD21")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 6998}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "48  " and name "HD2 ")
 ASSI { 4948}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "53  " and name "HA  ")
      5.000     3.100     1.000 peak  4948 weight  0.10000E+01 volume -0.59200E+00 ppm1      1.718 ppm2      4.381
 OR { 4948}
     (segid "    " and resid "8   " and name "HB3 ")
     (segid "    " and resid "53  " and name "HA  ")
 OR { 4948}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "53  " and name "HA  ")
 ASSI { 7165}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HE1 ")
      3.500     1.500     1.500 peak  7165 weight  0.10000E+01 volume  0.24300E+00 ppm1      1.400 ppm2      6.792
 OR { 7165}
     (segid "    " and resid "21  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 ASSI { 6801}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HD2 ")
      3.300     1.400     1.400 peak  6801 weight  0.10000E+01 volume  0.38900E+00 ppm1      1.338 ppm2      7.363
 OR { 6801}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 7188}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HB1 ")
      1.700     0.400     0.500 peak  7188 weight  0.10000E+01 volume  0.55390E+01 ppm1      1.547 ppm2      1.786
 OR { 7188}
     (segid "    " and resid "76  " and name "HG2 ")
     (segid "    " and resid "76  " and name "HB2 ")
 OR { 7188}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HB1 ")
 OR { 7188}
     (segid "    " and resid "76  " and name "HG1 ")
     (segid "    " and resid "76  " and name "HB2 ")
 ASSI { 6629}
     (segid "    " and resid "91  " and name "HG  ")
     (segid "    " and resid "91  " and name "HD21")
      2.400     0.700     0.700 peak  6629 weight  0.10000E+01 volume  0.26300E+01 ppm1      1.447 ppm2      0.770
 OR { 6629}
     (segid "    " and resid "91  " and name "HG  ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 6629}
     (segid "    " and resid "91  " and name "HG  ")
     (segid "    " and resid "91  " and name "HD23")
 ASSI { 1125}
     (segid "    " and resid "5   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HA  ")
      5.000     3.100     1.000 peak  1125 weight  0.10000E+01 volume -0.38100E+00 ppm1      1.969 ppm2      5.052
 OR { 1125}
     (segid "    " and resid "5   " and name "HG2 ")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 6395}
     (segid "    " and resid "92  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB2 ")
      2.900     1.100     1.100 peak  6395 weight  0.10000E+01 volume  0.75000E+00 ppm1      1.478 ppm2      1.269
 OR { 6395}
     (segid "    " and resid "92  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 6395}
     (segid "    " and resid "92  " and name "HD2 ")
     (segid "    " and resid "14  " and name "HB3 ")
 ASSI { 6380}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     3.100     1.000 peak  6380 weight  0.10000E+01 volume -0.52900E+00 ppm1      1.682 ppm2      4.533
 ASSI { 6585}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HB1 ")
      3.100     1.200     1.200 peak  6585 weight  0.10000E+01 volume  0.49600E+00 ppm1      1.958 ppm2      1.368
 OR { 6585}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HB3 ")
 OR { 6585}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 7465}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HA  ")
      3.200     1.300     1.300 peak  7465 weight  0.10000E+01 volume  0.23400E+00 ppm1      1.000 ppm2      4.489
 ASSI { 7383}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD12")
      2.800     1.000     1.000 peak  7383 weight  0.10000E+01 volume  0.10140E+01 ppm1      1.924 ppm2      0.789
 OR { 7383}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "91  " and name "HD11")
 OR { 7383}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD12")
 ASSI { 6361}
     (segid "    " and resid "102 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HG1 ")
      2.400     0.700     0.700 peak  6361 weight  0.10000E+01 volume  0.66700E+00 ppm1      1.608 ppm2      0.723
 ASSI { 7006}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HE2 ")
      3.200     1.300     1.300 peak  7006 weight  0.10000E+01 volume  0.42200E+00 ppm1      2.016 ppm2      6.774
 OR { 7006}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HE1 ")
 ASSI { 1113}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD2 ")
      5.000     3.100     1.000 peak  1113 weight  0.10000E+01 volume -0.54900E+00 ppm1      2.096 ppm2      3.449
 ASSI { 7289}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HB  ")
      5.000     3.100     1.000 peak  7289 weight  0.10000E+01 volume -0.54200E+00 ppm1      2.231 ppm2      2.098
 OR { 7289}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HB  ")
 ASSI { 7382}
     (segid "    " and resid "89  " and name "HG2 ")
     (segid "    " and resid "91  " and name "HD12")
      5.000     3.100     1.000 peak  7382 weight  0.10000E+01 volume -0.70200E+00 ppm1      2.250 ppm2      0.789
 OR { 7382}
     (segid "    " and resid "89  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 7382}
     (segid "    " and resid "89  " and name "HG2 ")
     (segid "    " and resid "91  " and name "HD13")
 OR { 7382}
     (segid "    " and resid "89  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD11")
 OR { 7382}
     (segid "    " and resid "89  " and name "HG1 ")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 6211}
     (segid "    " and resid "4   " and name "HG2 ")
     (segid "    " and resid "4   " and name "HE1 ")
      5.000     3.100     1.000 peak  6211 weight  0.10000E+01 volume -0.40200E+00 ppm1      2.518 ppm2      2.130
 OR { 6211}
     (segid "    " and resid "4   " and name "HG2 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 6211}
     (segid "    " and resid "4   " and name "HG2 ")
     (segid "    " and resid "4   " and name "HE3 ")
 ASSI { 7027}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "49  " and name "HG13")
      5.000     3.100     1.000 peak  7027 weight  0.10000E+01 volume -0.41700E+00 ppm1      1.266 ppm2      0.691
 OR { 7027}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 7027}
     (segid "    " and resid "22  " and name "HB  ")
     (segid "    " and resid "49  " and name "HG12")
 ASSI { 5544}
     (segid "    " and resid "92  " and name "HE1 ")
     (segid "    " and resid "92  " and name "HA  ")
      2.800     1.000     1.000 peak  5544 weight  0.10000E+01 volume  0.56400E+00 ppm1      2.848 ppm2      4.624
 OR { 5544}
     (segid "    " and resid "92  " and name "HE2 ")
     (segid "    " and resid "92  " and name "HA  ")
 ASSI { 6377}
     (segid "    " and resid "35  " and name "HB2 ")
     (segid "    " and resid "35  " and name "HA  ")
      2.400     0.700     0.700 peak  6377 weight  0.10000E+01 volume  0.14310E+01 ppm1      3.041 ppm2      4.575
 OR { 6377}
     (segid "    " and resid "35  " and name "HB1 ")
     (segid "    " and resid "35  " and name "HA  ")
 ASSI { 7355}
     (segid "    " and resid "88  " and name "HB2 ")
     (segid "    " and resid "88  " and name "HA  ")
      2.200     0.600     0.600 peak  7355 weight  0.10000E+01 volume  0.23660E+01 ppm1      2.578 ppm2      4.950
 ASSI { 7354}
     (segid "    " and resid "88  " and name "HB1 ")
     (segid "    " and resid "88  " and name "HA  ")
      2.200     0.600     0.600 peak  7354 weight  0.10000E+01 volume  0.25400E+01 ppm1      2.678 ppm2      4.950
 OR { 7354}
     (segid "    " and resid "88  " and name "HB2 ")
     (segid "    " and resid "88  " and name "HA  ")
 ASSI { 6319}
     (segid "    " and resid "10  " and name "HD2 ")
     (segid "    " and resid "10  " and name "HB2 ")
      2.400     0.700     0.700 peak  6319 weight  0.10000E+01 volume  0.67300E+00 ppm1      3.099 ppm2      1.567
 ASSI { 6637}
     (segid "    " and resid "43  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HA  ")
      2.400     0.700     0.700 peak  6637 weight  0.10000E+01 volume  0.11970E+01 ppm1      3.206 ppm2      4.546
 OR { 6637}
     (segid "    " and resid "43  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HA  ")
 ASSI { 6378}
     (segid "    " and resid "94  " and name "HA2 ")
     (segid "    " and resid "14  " and name "HA  ")
      3.200     1.300     1.300 peak  6378 weight  0.10000E+01 volume  0.47300E+00 ppm1      3.056 ppm2      4.539
 ASSI { 6784}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HA  ")
      2.800     1.000     1.000 peak  6784 weight  0.10000E+01 volume  0.56600E+00 ppm1      3.373 ppm2      4.737
 ASSI { 6782}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HA  ")
      2.900     1.100     1.100 peak  6782 weight  0.10000E+01 volume  0.46200E+00 ppm1      4.092 ppm2      4.739
 ASSI { 6225}
     (segid "    " and resid "5   " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG2 ")
      5.000     3.100     1.000 peak  6225 weight  0.10000E+01 volume -0.70000E+00 ppm1      3.280 ppm2      1.877
 ASSI { 6674}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "77  " and name "HA  ")
      3.500     1.500     1.500 peak  6674 weight  0.10000E+01 volume  0.28500E+00 ppm1      5.222 ppm2      4.687
 ASSI { 6420}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HB1 ")
      2.600     0.800     0.800 peak  6420 weight  0.10000E+01 volume  0.37900E+00 ppm1      3.774 ppm2      2.204
 ASSI { 6659}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "77  " and name "HA  ")
      5.000     3.100     1.000 peak  6659 weight  0.10000E+01 volume -0.50800E+00 ppm1      3.801 ppm2      4.706
 OR { 6659}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "77  " and name "HA  ")
 ASSI { 7487}
     (segid "    " and resid "103 " and name "HZ2 ")
     (segid "    " and resid "102 " and name "HD1 ")
      3.100     1.200     1.200 peak  7487 weight  0.10000E+01 volume  0.50300E+00 ppm1      7.336 ppm2      1.247
 OR { 7487}
     (segid "    " and resid "103 " and name "HZ2 ")
     (segid "    " and resid "102 " and name "HD2 ")
 ASSI { 7225}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "80  " and name "HB1 ")
      6.000     4.500     0.000 peak  7225 weight  0.10000E+01 volume -0.29300E+00 ppm1      6.919 ppm2      3.470
 ASSI { 6984}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     3.100     1.000 peak  6984 weight  0.10000E+01 volume -0.59600E+00 ppm1      6.773 ppm2      4.899
 OR { 6984}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 5676}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "2   " and name "HA1 ")
      5.000     3.100     1.000 peak  5676 weight  0.10000E+01 volume -0.58300E+00 ppm1      6.687 ppm2      4.381
 ASSI { 7207}
     (segid "    " and resid "79  " and name "HE2 ")
     (segid "    " and resid "79  " and name "HA  ")
      5.000     3.100     1.000 peak  7207 weight  0.10000E+01 volume -0.43200E+00 ppm1      6.657 ppm2      5.808
 OR { 7207}
     (segid "    " and resid "79  " and name "HE1 ")
     (segid "    " and resid "79  " and name "HA  ")
 ASSI {  826}
     (segid "    " and resid "106 " and name "HE2 ")
     (segid "    " and resid "3   " and name "HB1 ")
      2.800     1.000     1.000 peak   826 weight  0.10000E+01 volume  0.96000E+00 ppm1      6.682 ppm2      2.105
 ASSI { 7021}
     (segid "    " and resid "61  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HG11")
      4.200     2.200     1.800 peak  7021 weight  0.10000E+01 volume  0.31800E+00 ppm1      7.555 ppm2      0.691
 OR { 7021}
     (segid "    " and resid "61  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 7021}
     (segid "    " and resid "61  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HG13")
 ASSI { 3702}
     (segid "    " and resid "103 " and name "HH2 ")
     (segid "    " and resid "102 " and name "HE2 ")
      5.000     3.100     1.000 peak  3702 weight  0.10000E+01 volume -0.40400E+00 ppm1      6.987 ppm2      2.347
 OR { 3702}
     (segid "    " and resid "103 " and name "HH2 ")
     (segid "    " and resid "102 " and name "HE1 ")
 ASSI { 7335}
     (segid "    " and resid "61  " and name "HH2 ")
     (segid "    " and resid "85  " and name "HG21")
      3.900     1.900     1.900 peak  7335 weight  0.10000E+01 volume  0.49300E+00 ppm1      7.140 ppm2      0.851
 OR { 7335}
     (segid "    " and resid "61  " and name "HH2 ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 7335}
     (segid "    " and resid "61  " and name "HH2 ")
     (segid "    " and resid "85  " and name "HG22")
 ASSI { 4055}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "38  " and name "HD1 ")
      3.700     1.700     1.700 peak  4055 weight  0.10000E+01 volume  0.66300E+00 ppm1      6.571 ppm2      7.365
 OR { 4055}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 7023}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG11")
      3.900     1.900     1.900 peak  7023 weight  0.10000E+01 volume  0.47500E+00 ppm1      6.970 ppm2      0.691
 OR { 7023}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 7023}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "49  " and name "HG12")
 OR { 7023}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "49  " and name "HG13")
 ASSI { 7114}
     (segid "    " and resid "60  " and name "HD1 ")
     (segid "    " and resid "81  " and name "HA  ")
      3.300     1.400     1.400 peak  7114 weight  0.10000E+01 volume  0.74300E+00 ppm1      7.022 ppm2      4.634
 OR { 7114}
     (segid "    " and resid "60  " and name "HD2 ")
     (segid "    " and resid "81  " and name "HA  ")
 ASSI { 7197}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "77  " and name "HD23")
      3.500     1.500     1.500 peak  7197 weight  0.10000E+01 volume  0.87500E+00 ppm1      7.127 ppm2      0.318
 OR { 7197}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HD23")
 OR { 7197}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HD22")
 OR { 7197}
     (segid "    " and resid "50  " and name "HD1 ")
     (segid "    " and resid "77  " and name "HD21")
 OR { 7197}
     (segid "    " and resid "50  " and name "HD2 ")
     (segid "    " and resid "77  " and name "HD22")
 ASSI { 6818}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD11")
      3.200     1.300     1.300 peak  6818 weight  0.10000E+01 volume  0.15910E+01 ppm1      6.922 ppm2      0.973
 OR { 6818}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 6818}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HD12")
 ASSI { 7277}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "82  " and name "HA  ")
      3.600     1.600     1.600 peak  7277 weight  0.10000E+01 volume  0.44100E+00 ppm1      6.924 ppm2      2.880
 ASSI { 6844}
     (segid "    " and resid "31  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HB  ")
      5.000     3.100     1.000 peak  6844 weight  0.10000E+01 volume -0.73200E+00 ppm1      7.389 ppm2      1.486
 OR { 6844}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HB  ")
 ASSI { 7617}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HG2 ")
      3.600     1.600     1.600 peak  7617 weight  0.10000E+01 volume  0.60000E-01 ppm1      6.275 ppm2     -0.809
 ASSI { 6535}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HE1 ")
      3.400     1.400     1.400 peak  6535 weight  0.10000E+01 volume  0.11730E+01 ppm1      6.771 ppm2      1.843
 OR { 6535}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HE2 ")
 OR { 6535}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HE3 ")
 OR { 6535}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HE1 ")
 OR { 6535}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HE2 ")
 ASSI { 7266}
     (segid "    " and resid "31  " and name "HE2 ")
     (segid "    " and resid "81  " and name "HG2 ")
      2.900     1.100     1.100 peak  7266 weight  0.10000E+01 volume  0.78400E+00 ppm1      6.929 ppm2      1.921
 ASSI { 7500}
     (segid "    " and resid "103 " and name "HZ3 ")
     (segid "    " and resid "103 " and name "HZ2 ")
      3.900     1.900     1.900 peak  7500 weight  0.10000E+01 volume  0.47600E+00 ppm1      6.291 ppm2      7.351
 ASSI { 6347}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "84  " and name "HG12")
      3.200     1.300     1.300 peak  6347 weight  0.10000E+01 volume  0.46800E+00 ppm1      6.924 ppm2      1.186
 ASSI { 7528}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "80  " and name "HD2 ")
      3.700     1.700     1.700 peak  7528 weight  0.10000E+01 volume  0.72100E+00 ppm1      7.143 ppm2      6.938
 OR { 7528}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "80  " and name "HD1 ")
 ASSI { 4151}
     (segid "    " and resid "80  " and name "HD2 ")
     (segid "    " and resid "80  " and name "HE2 ")
      2.900     1.100     1.100 peak  4151 weight  0.10000E+01 volume  0.28600E+01 ppm1      6.922 ppm2      6.956
 OR { 4151}
     (segid "    " and resid "80  " and name "HD1 ")
     (segid "    " and resid "80  " and name "HE1 ")
 ASSI { 4164}
     (segid "    " and resid "103 " and name "HZ2 ")
     (segid "    " and resid "103 " and name "HH2 ")
      2.700     0.900     0.900 peak  4164 weight  0.10000E+01 volume  0.42050E+01 ppm1      7.343 ppm2      6.963
 ASSI { 4094}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     4.500     0.000 peak  4094 weight  0.10000E+01 volume -0.26500E+00 ppm1      6.927 ppm2      5.409
 ASSI { 7311}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "84  " and name "HD13")
      3.800     1.800     1.800 peak  7311 weight  0.10000E+01 volume  0.58900E+00 ppm1      6.925 ppm2      0.671
 OR { 7311}
     (segid "    " and resid "31  " and name "HE2 ")
     (segid "    " and resid "84  " and name "HD13")
 OR { 7311}
     (segid "    " and resid "31  " and name "HE2 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 7311}
     (segid "    " and resid "31  " and name "HE1 ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 7311}
     (segid "    " and resid "31  " and name "HE2 ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 3812}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HB2 ")
      3.100     1.200     1.200 peak  3812 weight  0.10000E+01 volume  0.52900E+00 ppm1      7.302 ppm2      2.738
 ASSI { 3814}
     (segid "    " and resid "20  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HB1 ")
      3.400     1.400     1.400 peak  3814 weight  0.10000E+01 volume  0.28300E+00 ppm1      7.307 ppm2      3.311
 ASSI { 4168}
     (segid "    " and resid "103 " and name "HE3 ")
     (segid "    " and resid "103 " and name "HZ3 ")
      3.200     1.300     1.300 peak  4168 weight  0.10000E+01 volume  0.15300E+01 ppm1      7.051 ppm2      6.293
 ASSI { 7497}
     (segid "    " and resid "103 " and name "HE3 ")
     (segid "    " and resid "103 " and name "HB2 ")
      3.000     1.100     1.100 peak  7497 weight  0.10000E+01 volume  0.66600E+00 ppm1      7.057 ppm2      3.275
 ASSI { 7496}
     (segid "    " and resid "103 " and name "HD1 ")
     (segid "    " and resid "103 " and name "HB2 ")
      2.600     0.800     0.800 peak  7496 weight  0.10000E+01 volume  0.13730E+01 ppm1      7.109 ppm2      3.275
 ASSI { 7539}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD23")
      3.900     1.900     1.900 peak  7539 weight  0.10000E+01 volume  0.51300E+00 ppm1      6.907 ppm2     -0.063
 OR { 7539}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 7539}
     (segid "    " and resid "105 " and name "HE2 ")
     (segid "    " and resid "7   " and name "HD22")
 ASSI { 7334}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "85  " and name "HG23")
      3.800     1.800     1.800 peak  7334 weight  0.10000E+01 volume  0.56900E+00 ppm1      7.153 ppm2      0.850
 OR { 7334}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "85  " and name "HG21")
 OR { 7334}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "85  " and name "HG22")
 ASSI { 7526}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "80  " and name "HE1 ")
      3.300     1.400     1.400 peak  7526 weight  0.10000E+01 volume  0.14040E+01 ppm1      7.135 ppm2      6.968
 OR { 7526}
     (segid "    " and resid "80  " and name "HZ  ")
     (segid "    " and resid "80  " and name "HE2 ")
 ASSI { 1161}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "38  " and name "HE1 ")
      3.100     1.200     1.200 peak  1161 weight  0.10000E+01 volume  0.20080E+01 ppm1      6.568 ppm2      6.855
 OR { 1161}
     (segid "    " and resid "38  " and name "HZ  ")
     (segid "    " and resid "38  " and name "HE2 ")
 ASSI { 6863}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "41  " and name "HD12")
      3.900     1.900     1.900 peak  6863 weight  0.10000E+01 volume  0.45500E+00 ppm1      6.965 ppm2      0.292
 OR { 6863}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6863}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6863}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "41  " and name "HD11")
 ASSI { 7336}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG23")
      3.100     1.200     1.200 peak  7336 weight  0.10000E+01 volume  0.18780E+01 ppm1      6.963 ppm2      0.850
 OR { 7336}
     (segid "    " and resid "80  " and name "HE1 ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 6817}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "39  " and name "HD11")
      3.600     1.600     1.600 peak  6817 weight  0.10000E+01 volume  0.74300E+00 ppm1      6.963 ppm2      0.973
 OR { 6817}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 6817}
     (segid "    " and resid "80  " and name "HE2 ")
     (segid "    " and resid "39  " and name "HD12")
 ASSI { 7537}
     (segid "    " and resid "60  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD11")
      3.900     1.900     1.900 peak  7537 weight  0.10000E+01 volume  0.46700E+00 ppm1      7.342 ppm2      0.552
 OR { 7537}
     (segid "    " and resid "60  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD12")
 OR { 7537}
     (segid "    " and resid "60  " and name "HZ  ")
     (segid "    " and resid "7   " and name "HD13")
 ASSI { 4112}
     (segid "    " and resid "60  " and name "HE2 ")
     (segid "    " and resid "60  " and name "HD2 ")
      3.300     1.400     1.400 peak  4112 weight  0.10000E+01 volume  0.14780E+01 ppm1      7.406 ppm2      7.019
 OR { 4112}
     (segid "    " and resid "60  " and name "HE1 ")
     (segid "    " and resid "60  " and name "HD1 ")
 ASSI { 6843}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "41  " and name "HA  ")
      3.300     1.400     1.400 peak  6843 weight  0.10000E+01 volume  0.77300E+00 ppm1      0.285 ppm2      4.401
 OR { 6843}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 6843}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 6965}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "47  " and name "HB  ")
      6.000     4.500     0.000 peak  6965 weight  0.10000E+01 volume -0.26700E+00 ppm1      0.293 ppm2      1.540
 OR { 6965}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "47  " and name "HB  ")
 OR { 6965}
     (segid "    " and resid "41  " and name "HD11")
     (segid "    " and resid "47  " and name "HB  ")
 ASSI { 7264}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "81  " and name "HG2 ")
      5.700     4.100     0.300 peak  7264 weight  0.10000E+01 volume  0.14000E-01 ppm1      7.389 ppm2      1.928
 OR { 7264}
     (segid "    " and resid "31  " and name "HD2 ")
     (segid "    " and resid "81  " and name "HG1 ")
 ASSI { 6383}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "14  " and name "HA  ")
      5.000     3.100     1.000 peak  6383 weight  0.10000E+01 volume -0.31400E+00 ppm1      0.520 ppm2      4.521
 OR { 6383}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 6383}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 6398}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "14  " and name "HB1 ")
      3.400     1.400     1.400 peak  6398 weight  0.10000E+01 volume  0.10680E+01 ppm1      0.516 ppm2      1.268
 OR { 6398}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 6398}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 6398}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 6398}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 6398}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "14  " and name "HB2 ")
 ASSI { 7268}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "81  " and name "HG2 ")
      3.000     1.100     1.100 peak  7268 weight  0.10000E+01 volume  0.62600E+00 ppm1      0.671 ppm2      1.917
 OR { 7268}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "81  " and name "HG1 ")
 OR { 7268}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "81  " and name "HG2 ")
 OR { 7268}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "81  " and name "HG2 ")
 ASSI { 6396}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "14  " and name "HB1 ")
      3.500     1.500     1.500 peak  6396 weight  0.10000E+01 volume  0.95200E+00 ppm1      0.782 ppm2      1.263
 OR { 6396}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 6396}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 6396}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 6396}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 6396}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "14  " and name "HB2 ")
 ASSI { 6443}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "23  " and name "HB2 ")
      2.700     0.900     0.900 peak  6443 weight  0.10000E+01 volume  0.12120E+01 ppm1      0.782 ppm2      3.790
 OR { 6443}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "23  " and name "HB1 ")
 OR { 6443}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "23  " and name "HB2 ")
 OR { 6443}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "23  " and name "HB1 ")
 ASSI { 5674}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "1   " and name "HG1 ")
      3.100     1.200     1.200 peak  5674 weight  0.10000E+01 volume  0.54400E+00 ppm1      2.140 ppm2      2.640
 OR { 5674}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 5674}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 5674}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 5674}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 6739}
     (segid "    " and resid "32  " and name "HE3 ")
     (segid "    " and resid "32  " and name "HB1 ")
      2.900     1.100     1.100 peak  6739 weight  0.10000E+01 volume  0.68900E+00 ppm1      1.967 ppm2      1.728
 OR { 6739}
     (segid "    " and resid "32  " and name "HE2 ")
     (segid "    " and resid "32  " and name "HB1 ")
 OR { 6739}
     (segid "    " and resid "32  " and name "HE3 ")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 6739}
     (segid "    " and resid "32  " and name "HE1 ")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 6739}
     (segid "    " and resid "32  " and name "HE2 ")
     (segid "    " and resid "32  " and name "HB2 ")
 ASSI { 1124}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "4   " and name "HA  ")
      5.000     3.100     1.000 peak  1124 weight  0.10000E+01 volume -0.72300E+00 ppm1      2.113 ppm2      5.052
 OR { 1124}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 1124}
     (segid "    " and resid "4   " and name "HE3 ")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 1157}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "4   " and name "HB1 ")
      3.000     1.100     1.100 peak  1157 weight  0.10000E+01 volume  0.56700E+00 ppm1      2.112 ppm2      1.957
 OR { 1157}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 1157}
     (segid "    " and resid "4   " and name "HE3 ")
     (segid "    " and resid "4   " and name "HB1 ")
 ASSI { 6230}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "5   " and name "HD2 ")
      5.000     3.100     1.000 peak  6230 weight  0.10000E+01 volume -0.76600E+00 ppm1      2.119 ppm2      3.279
 OR { 6230}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "5   " and name "HD2 ")
 OR { 6230}
     (segid "    " and resid "4   " and name "HE3 ")
     (segid "    " and resid "5   " and name "HD2 ")
 ASSI { 6652}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "29  " and name "HG1 ")
      2.600     0.800     0.800 peak  6652 weight  0.10000E+01 volume  0.15220E+01 ppm1      0.796 ppm2      2.254
 OR { 6652}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 6652}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 7267}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "81  " and name "HG2 ")
      2.800     1.000     1.000 peak  7267 weight  0.10000E+01 volume  0.85000E+00 ppm1      0.792 ppm2      1.921
 OR { 7267}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "81  " and name "HG2 ")
 ASSI { 6670}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "86  " and name "HA  ")
      6.000     4.500     0.000 peak  6670 weight  0.10000E+01 volume -0.23300E+00 ppm1      0.856 ppm2      4.744
 OR { 6670}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "86  " and name "HA  ")
 OR { 6670}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "86  " and name "HA  ")
 ASSI { 6881}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     4.500     0.000 peak  6881 weight  0.10000E+01 volume -0.26500E+00 ppm1      0.696 ppm2      5.271
 OR { 6881}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 6881}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 6932}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "45  " and name "HB2 ")
      3.000     1.100     1.100 peak  6932 weight  0.10000E+01 volume  0.64300E+00 ppm1      0.697 ppm2      1.947
 OR { 6932}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 6932}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 6924}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     4.500     0.000 peak  6924 weight  0.10000E+01 volume -0.28300E+00 ppm1      0.695 ppm2      4.260
 OR { 6924}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 6924}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 6927}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "45  " and name "HB1 ")
      2.700     0.900     0.900 peak  6927 weight  0.10000E+01 volume  0.11230E+01 ppm1      0.694 ppm2      2.127
 OR { 6927}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 6927}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 6677}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "31  " and name "HB2 ")
      5.000     3.100     1.000 peak  6677 weight  0.10000E+01 volume -0.33000E+00 ppm1      0.701 ppm2      2.865
 OR { 6677}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "31  " and name "HB2 ")
 OR { 6677}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 6575}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     3.100     1.000 peak  6575 weight  0.10000E+01 volume -0.50300E+00 ppm1      0.847 ppm2      4.561
 OR { 6575}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 6575}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 6522}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HB1 ")
      5.000     3.100     1.000 peak  6522 weight  0.10000E+01 volume -0.18210E+01 ppm1      1.254 ppm2      1.797
 OR { 6522}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HB1 ")
 OR { 6522}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "92  " and name "HB1 ")
 ASSI { 6322}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "92  " and name "HB2 ")
      5.000     3.100     1.000 peak  6322 weight  0.10000E+01 volume -0.14210E+01 ppm1      1.251 ppm2      1.584
 OR { 6322}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "92  " and name "HB2 ")
 OR { 6322}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "92  " and name "HB2 ")
 ASSI { 6872}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "41  " and name "HD13")
      3.300     1.400     1.400 peak  6872 weight  0.10000E+01 volume  0.11730E+01 ppm1      1.026 ppm2      0.292
 OR { 6872}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6872}
     (segid "    " and resid "65  " and name "HG22")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6872}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6872}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6872}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "41  " and name "HD11")
 ASSI { 6860}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "41  " and name "HG21")
      3.400     1.400     1.400 peak  6860 weight  0.10000E+01 volume  0.10740E+01 ppm1      1.027 ppm2      0.695
 OR { 6860}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "41  " and name "HG22")
 OR { 6860}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "41  " and name "HG23")
 OR { 6860}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "41  " and name "HG21")
 OR { 6860}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "41  " and name "HG23")
 ASSI { 7439}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "98  " and name "HA  ")
      2.600     0.800     0.800 peak  7439 weight  0.10000E+01 volume  0.27800E+01 ppm1      0.907 ppm2      4.431
 OR { 7439}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "98  " and name "HA  ")
 OR { 7439}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "98  " and name "HA  ")
 ASSI { 7425}
     (segid "    " and resid "98  " and name "HG23")
     (segid "    " and resid "96  " and name "HB  ")
      3.000     1.100     1.100 peak  7425 weight  0.10000E+01 volume  0.59500E+00 ppm1      0.906 ppm2      1.614
 OR { 7425}
     (segid "    " and resid "98  " and name "HG21")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 7425}
     (segid "    " and resid "98  " and name "HG22")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI { 6441}
     (segid "    " and resid "90  " and name "HG23")
     (segid "    " and resid "23  " and name "HB1 ")
      3.000     1.100     1.100 peak  6441 weight  0.10000E+01 volume  0.60500E+00 ppm1      1.031 ppm2      3.809
 OR { 6441}
     (segid "    " and resid "90  " and name "HG23")
     (segid "    " and resid "23  " and name "HB2 ")
 OR { 6441}
     (segid "    " and resid "90  " and name "HG21")
     (segid "    " and resid "23  " and name "HB1 ")
 OR { 6441}
     (segid "    " and resid "90  " and name "HG22")
     (segid "    " and resid "23  " and name "HB2 ")
 ASSI { 6999}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "48  " and name "HD2 ")
      4.400     2.400     1.600 peak  6999 weight  0.10000E+01 volume  0.24500E+00 ppm1      0.693 ppm2      6.917
 OR { 6999}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 6999}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 6701}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "24  " and name "HE2 ")
      3.100     1.200     1.200 peak  6701 weight  0.10000E+01 volume  0.18040E+01 ppm1      0.696 ppm2      1.855
 OR { 6701}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "24  " and name "HE2 ")
 OR { 6701}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "24  " and name "HE1 ")
 OR { 6701}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "24  " and name "HE2 ")
 OR { 6701}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "24  " and name "HE3 ")
 ASSI { 6411}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "16  " and name "HA  ")
      3.300     1.400     1.400 peak  6411 weight  0.10000E+01 volume -0.39610E+01 ppm1      0.704 ppm2      3.908
 OR { 6411}
     (segid "    " and resid "96  " and name "HG11")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 6411}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 6558}
     (segid "    " and resid "26  " and name "HG11")
     (segid "    " and resid "26  " and name "HA  ")
      2.700     0.900     0.900 peak  6558 weight  0.10000E+01 volume  0.24130E+01 ppm1      0.867 ppm2      4.835
 OR { 6558}
     (segid "    " and resid "26  " and name "HG13")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 6558}
     (segid "    " and resid "26  " and name "HG12")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 7455}
     (segid "    " and resid "100 " and name "HG23")
     (segid "    " and resid "99  " and name "HA  ")
      5.000     3.100     1.000 peak  7455 weight  0.10000E+01 volume -0.46000E+00 ppm1      0.949 ppm2      4.573
 OR { 7455}
     (segid "    " and resid "100 " and name "HG22")
     (segid "    " and resid "99  " and name "HA  ")
 OR { 7455}
     (segid "    " and resid "100 " and name "HG21")
     (segid "    " and resid "99  " and name "HA  ")
 ASSI { 6695}
     (segid "    " and resid "40  " and name "HG22")
     (segid "    " and resid "32  " and name "HG2 ")
      3.100     1.200     1.200 peak  6695 weight  0.10000E+01 volume  0.48200E+00 ppm1      1.228 ppm2      2.352
 OR { 6695}
     (segid "    " and resid "40  " and name "HG21")
     (segid "    " and resid "32  " and name "HG2 ")
 OR { 6695}
     (segid "    " and resid "40  " and name "HG23")
     (segid "    " and resid "32  " and name "HG2 ")
 ASSI { 4673}
     (segid "    " and resid "40  " and name "HG22")
     (segid "    " and resid "32  " and name "HG1 ")
      3.100     1.200     1.200 peak  4673 weight  0.10000E+01 volume  0.46500E+00 ppm1      1.230 ppm2      2.488
 OR { 4673}
     (segid "    " and resid "40  " and name "HG23")
     (segid "    " and resid "32  " and name "HG1 ")
 OR { 4673}
     (segid "    " and resid "40  " and name "HG21")
     (segid "    " and resid "32  " and name "HG1 ")
 ASSI { 6632}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "28  " and name "HB2 ")
      3.300     1.400     1.400 peak  6632 weight  0.10000E+01 volume -0.25290E+01 ppm1      0.788 ppm2      1.587
 OR { 6632}
     (segid "    " and resid "28  " and name "HD12")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 6632}
     (segid "    " and resid "28  " and name "HD13")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 6632}
     (segid "    " and resid "28  " and name "HD11")
     (segid "    " and resid "28  " and name "HB1 ")
 ASSI { 6840}
     (segid "    " and resid "40  " and name "HG23")
     (segid "    " and resid "41  " and name "HA  ")
      3.600     1.600     1.600 peak  6840 weight  0.10000E+01 volume  0.43500E+00 ppm1      1.235 ppm2      4.418
 OR { 6840}
     (segid "    " and resid "40  " and name "HG21")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 6840}
     (segid "    " and resid "40  " and name "HG22")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 4111}
     (segid "    " and resid "49  " and name "HG12")
     (segid "    " and resid "61  " and name "HA  ")
      5.000     3.100     1.000 peak  4111 weight  0.10000E+01 volume -0.41000E+00 ppm1      0.687 ppm2      5.317
 OR { 4111}
     (segid "    " and resid "49  " and name "HG11")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 4111}
     (segid "    " and resid "49  " and name "HG13")
     (segid "    " and resid "61  " and name "HA  ")
 ASSI { 3712}
     (segid "    " and resid "102 " and name "HG2 ")
     (segid "    " and resid "102 " and name "HE2 ")
      5.000     3.100     1.000 peak  3712 weight  0.10000E+01 volume -0.64800E+00 ppm1      0.345 ppm2      2.356
 OR { 3712}
     (segid "    " and resid "102 " and name "HG2 ")
     (segid "    " and resid "102 " and name "HE1 ")
 ASSI { 7233}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "87  " and name "HG1 ")
      5.000     3.100     1.000 peak  7233 weight  0.10000E+01 volume -0.54700E+00 ppm1      1.188 ppm2      2.484
 OR { 7233}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "87  " and name "HG1 ")
 OR { 7233}
     (segid "    " and resid "25  " and name "HB3 ")
     (segid "    " and resid "87  " and name "HG1 ")
 ASSI { 6906}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "76  " and name "HD1 ")
      5.000     3.100     1.000 peak  6906 weight  0.10000E+01 volume -0.54800E+00 ppm1      0.891 ppm2      3.172
 OR { 6906}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 6906}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "76  " and name "HD2 ")
 OR { 6906}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "76  " and name "HD1 ")
 ASSI { 7117}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "64  " and name "HB1 ")
      3.600     1.600     1.600 peak  7117 weight  0.10000E+01 volume  0.21200E+00 ppm1      0.753 ppm2      3.807
 OR { 7117}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 7117}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 7117}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7117}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7117}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 6673}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "77  " and name "HA  ")
      5.000     3.100     1.000 peak  6673 weight  0.10000E+01 volume -0.14700E+01 ppm1      0.313 ppm2      4.685
 OR { 6673}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "77  " and name "HA  ")
 OR { 6673}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "77  " and name "HA  ")
 ASSI { 7119}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "64  " and name "HB2 ")
      2.700     0.900     0.900 peak  7119 weight  0.10000E+01 volume  0.11710E+01 ppm1      0.316 ppm2      3.806
 OR { 7119}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7119}
     (segid "    " and resid "77  " and name "HD22")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7119}
     (segid "    " and resid "77  " and name "HD21")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 7119}
     (segid "    " and resid "77  " and name "HD23")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 6232}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HA  ")
      6.000     4.500     0.000 peak  6232 weight  0.10000E+01 volume -0.24800E+00 ppm1      1.351 ppm2      2.908
 ASSI { 6321}
     (segid "    " and resid "92  " and name "HG2 ")
     (segid "    " and resid "92  " and name "HB2 ")
      3.300     1.400     1.400 peak  6321 weight  0.10000E+01 volume -0.25750E+01 ppm1      1.341 ppm2      1.567
 OR { 6321}
     (segid "    " and resid "92  " and name "HG1 ")
     (segid "    " and resid "92  " and name "HB2 ")
 ASSI { 6351}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "77  " and name "HG  ")
      2.500     0.800     0.800 peak  6351 weight  0.10000E+01 volume  0.18650E+01 ppm1      0.522 ppm2      1.313
 OR { 6351}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "77  " and name "HG  ")
 OR { 6351}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "77  " and name "HG  ")
 ASSI { 6507}
     (segid "    " and resid "91  " and name "HD21")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     3.100     1.000 peak  6507 weight  0.10000E+01 volume -0.79100E+00 ppm1      0.765 ppm2      4.931
 OR { 6507}
     (segid "    " and resid "91  " and name "HD22")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 6507}
     (segid "    " and resid "91  " and name "HD23")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 7286}
     (segid "    " and resid "28  " and name "HD23")
     (segid "    " and resid "84  " and name "HA  ")
      3.500     1.500     1.500 peak  7286 weight  0.10000E+01 volume  0.53700E+00 ppm1      0.775 ppm2      4.360
 OR { 7286}
     (segid "    " and resid "28  " and name "HD22")
     (segid "    " and resid "84  " and name "HA  ")
 OR { 7286}
     (segid "    " and resid "28  " and name "HD21")
     (segid "    " and resid "84  " and name "HA  ")
 ASSI { 6449}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "20  " and name "HA  ")
      5.000     3.100     1.000 peak  6449 weight  0.10000E+01 volume -0.39700E+00 ppm1      1.710 ppm2      4.987
 ASSI { 6456}
     (segid "    " and resid "21  " and name "HG1 ")
     (segid "    " and resid "21  " and name "HB1 ")
      2.400     0.700     0.700 peak  6456 weight  0.10000E+01 volume  0.70800E+00 ppm1      1.731 ppm2      1.501
 ASSI { 6815}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "39  " and name "HB2 ")
      5.000     3.100     1.000 peak  6815 weight  0.10000E+01 volume -0.72200E+00 ppm1      1.570 ppm2      1.460
 ASSI { 6816}
     (segid "    " and resid "39  " and name "HG  ")
     (segid "    " and resid "39  " and name "HB1 ")
      5.000     3.100     1.000 peak  6816 weight  0.10000E+01 volume -0.79700E+00 ppm1      1.570 ppm2      1.686
 ASSI { 7069}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HD23")
      2.900     1.100     1.100 peak  7069 weight  0.10000E+01 volume  0.74200E+00 ppm1      1.813 ppm2      0.791
 OR { 7069}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 7069}
     (segid "    " and resid "53  " and name "HG  ")
     (segid "    " and resid "53  " and name "HD21")
 ASSI { 6887}
     (segid "    " and resid "43  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     3.100     1.000 peak  6887 weight  0.10000E+01 volume -0.91700E+00 ppm1      1.431 ppm2      3.224
 ASSI { 6572}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HB1 ")
      2.700     0.900     0.900 peak  6572 weight  0.10000E+01 volume -0.54210E+01 ppm1      1.554 ppm2      1.578
 OR { 6572}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI { 7123}
     (segid "    " and resid "81  " and name "HG1 ")
     (segid "    " and resid "81  " and name "HA  ")
      3.000     1.100     1.100 peak  7123 weight  0.10000E+01 volume  0.35800E+00 ppm1      1.878 ppm2      4.662
 OR { 7123}
     (segid "    " and resid "81  " and name "HG2 ")
     (segid "    " and resid "81  " and name "HA  ")
 ASSI { 6408}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     3.100     1.000 peak  6408 weight  0.10000E+01 volume -0.19410E+01 ppm1      2.107 ppm2      3.918
 OR { 6408}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 6418}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     3.100     1.000 peak  6418 weight  0.10000E+01 volume -0.92300E+00 ppm1      1.836 ppm2      4.374
 ASSI { 6392}
     (segid "    " and resid "22  " and name "HG11")
     (segid "    " and resid "14  " and name "HB1 ")
      3.100     1.200     1.200 peak  6392 weight  0.10000E+01 volume  0.52400E+00 ppm1      1.769 ppm2      1.257
 OR { 6392}
     (segid "    " and resid "22  " and name "HG11")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 6392}
     (segid "    " and resid "22  " and name "HG11")
     (segid "    " and resid "14  " and name "HB2 ")
 ASSI { 7404}
     (segid "    " and resid "92  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HD1 ")
      5.000     3.100     1.000 peak  7404 weight  0.10000E+01 volume -0.33900E+00 ppm1      1.485 ppm2      3.698
 ASSI { 7476}
     (segid "    " and resid "102 " and name "HD2 ")
     (segid "    " and resid "102 " and name "HA  ")
      5.000     3.100     1.000 peak  7476 weight  0.10000E+01 volume -0.51400E+00 ppm1      1.248 ppm2      4.007
 OR { 7476}
     (segid "    " and resid "102 " and name "HD1 ")
     (segid "    " and resid "102 " and name "HA  ")
 ASSI { 1134}
     (segid "    " and resid "99  " and name "HD2 ")
     (segid "    " and resid "99  " and name "HB1 ")
      2.000     0.500     0.500 peak  1134 weight  0.10000E+01 volume  0.21790E+01 ppm1      1.773 ppm2      1.958
 OR { 1134}
     (segid "    " and resid "99  " and name "HD1 ")
     (segid "    " and resid "99  " and name "HB1 ")
 ASSI { 6539}
     (segid "    " and resid "87  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HA  ")
      5.000     3.100     1.000 peak  6539 weight  0.10000E+01 volume -0.39600E+00 ppm1      2.104 ppm2      5.288
 OR { 6539}
     (segid "    " and resid "87  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 7231}
     (segid "    " and resid "87  " and name "HB1 ")
     (segid "    " and resid "87  " and name "HG1 ")
      5.000     3.100     1.000 peak  7231 weight  0.10000E+01 volume -0.96300E+00 ppm1      2.151 ppm2      2.492
 OR { 7231}
     (segid "    " and resid "87  " and name "HB2 ")
     (segid "    " and resid "87  " and name "HG1 ")
 ASSI { 7124}
     (segid "    " and resid "81  " and name "HB2 ")
     (segid "    " and resid "81  " and name "HA  ")
      2.800     1.000     1.000 peak  7124 weight  0.10000E+01 volume  0.48000E+00 ppm1      1.835 ppm2      4.662
 ASSI { 7492}
     (segid "    " and resid "102 " and name "HB2 ")
     (segid "    " and resid "102 " and name "HD2 ")
      2.200     0.600     0.600 peak  7492 weight  0.10000E+01 volume  0.12190E+01 ppm1      1.361 ppm2      1.257
 OR { 7492}
     (segid "    " and resid "102 " and name "HB2 ")
     (segid "    " and resid "102 " and name "HD1 ")
 ASSI { 7491}
     (segid "    " and resid "102 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HD2 ")
      2.200     2.200     2.800 peak  7491 weight  0.10000E+01 volume  0.11950E+01 ppm1      1.593 ppm2      1.247
 OR { 7491}
     (segid "    " and resid "102 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HD1 ")
 ASSI { 6705}
     (segid "    " and resid "32  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HB2 ")
      2.000     0.500     0.500 peak  6705 weight  0.10000E+01 volume  0.17840E+01 ppm1      2.476 ppm2      1.724
 OR { 6705}
     (segid "    " and resid "32  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HB1 ")
 ASSI { 6569}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HB2 ")
      5.000     3.100     1.000 peak  6569 weight  0.10000E+01 volume -0.78000E+00 ppm1      1.715 ppm2      1.714
 ASSI { 3811}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HD1 ")
      2.200     2.200     2.800 peak  3811 weight  0.10000E+01 volume  0.98800E+00 ppm1      1.381 ppm2      1.617
 ASSI { 6754}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HD1 ")
      6.000     4.500     0.000 peak  6754 weight  0.10000E+01 volume -0.29800E+00 ppm1      2.121 ppm2      3.785
 ASSI {  752}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HA  ")
      2.400     0.700     0.700 peak   752 weight  0.10000E+01 volume  0.13440E+01 ppm1      1.852 ppm2      4.108
 ASSI { 7282}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "84  " and name "HA  ")
      2.700     0.900     0.900 peak  7282 weight  0.10000E+01 volume  0.59700E+00 ppm1      2.233 ppm2      4.338
 OR { 7282}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "84  " and name "HA  ")
 ASSI { 6642}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     3.100     1.000 peak  6642 weight  0.10000E+01 volume -0.10460E+01 ppm1      1.878 ppm2      4.546
 ASSI { 6209}
     (segid "    " and resid "4   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE1 ")
      5.000     3.100     1.000 peak  6209 weight  0.10000E+01 volume -0.58700E+00 ppm1      2.716 ppm2      2.135
 OR { 6209}
     (segid "    " and resid "4   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 6209}
     (segid "    " and resid "4   " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE3 ")
 ASSI { 7520}
     (segid "    " and resid "108 " and name "HG1 ")
     (segid "    " and resid "108 " and name "HB2 ")
      3.300     1.400     1.400 peak  7520 weight  0.10000E+01 volume -0.39400E+01 ppm1      2.432 ppm2      2.004
 OR { 7520}
     (segid "    " and resid "108 " and name "HG2 ")
     (segid "    " and resid "108 " and name "HB2 ")
 ASSI { 6918}
     (segid "    " and resid "108 " and name "HG2 ")
     (segid "    " and resid "108 " and name "HA  ")
      2.400     0.700     0.700 peak  6918 weight  0.10000E+01 volume  0.15120E+01 ppm1      2.428 ppm2      4.254
 OR { 6918}
     (segid "    " and resid "108 " and name "HG1 ")
     (segid "    " and resid "108 " and name "HA  ")
 ASSI { 7416}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HG2 ")
      3.300     1.400     1.400 peak  7416 weight  0.10000E+01 volume -0.22360E+01 ppm1      1.702 ppm2      1.264
 OR { 7416}
     (segid "    " and resid "95  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HG1 ")
 ASSI { 6426}
     (segid "    " and resid "17  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HB2 ")
      5.000     3.100     1.000 peak  6426 weight  0.10000E+01 volume -0.13350E+01 ppm1      2.307 ppm2      1.838
 OR { 6426}
     (segid "    " and resid "17  " and name "HG1 ")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 6326}
     (segid "    " and resid "10  " and name "HB2 ")
     (segid "    " and resid "10  " and name "HD1 ")
      2.600     0.800     0.800 peak  6326 weight  0.10000E+01 volume  0.43700E+00 ppm1      1.571 ppm2      3.303
 ASSI { 7347}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "87  " and name "HA  ")
      2.800     1.000     1.000 peak  7347 weight  0.10000E+01 volume  0.59200E+00 ppm1      2.491 ppm2      4.225
 ASSI { 6439}
     (segid "    " and resid "87  " and name "HG2 ")
     (segid "    " and resid "23  " and name "HB2 ")
      6.000     4.500     0.000 peak  6439 weight  0.10000E+01 volume -0.29700E+00 ppm1      2.156 ppm2      3.797
 OR { 6439}
     (segid "    " and resid "87  " and name "HG2 ")
     (segid "    " and resid "23  " and name "HB1 ")
 ASSI { 6639}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HA  ")
      2.300     0.700     0.700 peak  6639 weight  0.10000E+01 volume  0.15720E+01 ppm1      2.765 ppm2      4.608
 ASSI { 7075}
     (segid "    " and resid "54  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HB2 ")
      2.300     0.700     0.700 peak  7075 weight  0.10000E+01 volume  0.82300E+00 ppm1      2.892 ppm2      1.466
 OR { 7075}
     (segid "    " and resid "54  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 6235}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     3.100     1.000 peak  6235 weight  0.10000E+01 volume -0.54500E+00 ppm1      2.789 ppm2      1.385
 OR { 6235}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 7502}
     (segid "    " and resid "104 " and name "HB1 ")
     (segid "    " and resid "104 " and name "HA  ")
      2.700     0.900     0.900 peak  7502 weight  0.10000E+01 volume  0.60600E+00 ppm1      1.593 ppm2      4.306
 ASSI { 6785}
     (segid "    " and resid "36  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HA  ")
      2.500     0.800     0.800 peak  6785 weight  0.10000E+01 volume  0.98500E+00 ppm1      3.341 ppm2      4.763
 ASSI { 7384}
     (segid "    " and resid "91  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD13")
      5.000     3.100     1.000 peak  7384 weight  0.10000E+01 volume -0.13040E+01 ppm1      1.436 ppm2      0.789
 OR { 7384}
     (segid "    " and resid "91  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 7384}
     (segid "    " and resid "91  " and name "HB2 ")
     (segid "    " and resid "91  " and name "HD11")
 ASSI { 6303}
     (segid "    " and resid "9   " and name "HB1 ")
     (segid "    " and resid "9   " and name "HA  ")
      2.400     0.700     0.700 peak  6303 weight  0.10000E+01 volume  0.13500E+01 ppm1      2.898 ppm2      4.713
 ASSI { 6304}
     (segid "    " and resid "9   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HA  ")
      2.500     0.800     0.800 peak  6304 weight  0.10000E+01 volume  0.97600E+00 ppm1      2.547 ppm2      4.692
 ASSI { 6339}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HA  ")
      2.600     0.800     0.800 peak  6339 weight  0.10000E+01 volume  0.77700E+00 ppm1      1.348 ppm2      5.247
 ASSI { 6362}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD22")
      5.000     3.100     1.000 peak  6362 weight  0.10000E+01 volume -0.12520E+01 ppm1      1.350 ppm2      0.725
 OR { 6362}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD21")
 OR { 6362}
     (segid "    " and resid "12  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 1111}
     (segid "    " and resid "2   " and name "HA2 ")
     (segid "    " and resid "3   " and name "HD2 ")
      2.700     0.900     0.900 peak  1111 weight  0.10000E+01 volume  0.68300E+00 ppm1      3.516 ppm2      3.429
 ASSI { 1042}
     (segid "    " and resid "2   " and name "HA2 ")
     (segid "    " and resid "3   " and name "HD1 ")
      2.500     0.800     0.800 peak  1042 weight  0.10000E+01 volume  0.10970E+01 ppm1      3.514 ppm2      3.602
 ASSI { 6825}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD23")
      5.000     3.100     1.000 peak  6825 weight  0.10000E+01 volume -0.51600E+00 ppm1      3.688 ppm2      0.888
 OR { 6825}
     (segid "    " and resid "78  " and name "HA2 ")
     (segid "    " and resid "39  " and name "HD21")
 ASSI {  852}
     (segid "    " and resid "3   " and name "HD2 ")
     (segid "    " and resid "3   " and name "HB2 ")
      5.000     3.100     1.000 peak   852 weight  0.10000E+01 volume -0.39500E+00 ppm1      3.452 ppm2      1.837
 ASSI { 6704}
     (segid "    " and resid "93  " and name "HD2 ")
     (segid "    " and resid "93  " and name "HB2 ")
      5.000     3.100     1.000 peak  6704 weight  0.10000E+01 volume -0.61500E+00 ppm1      3.582 ppm2      1.724
 ASSI { 6545}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB3 ")
      5.000     3.100     1.000 peak  6545 weight  0.10000E+01 volume -0.50900E+00 ppm1      5.343 ppm2      1.209
 OR { 6545}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 6545}
     (segid "    " and resid "85  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 6636}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "29  " and name "HA  ")
      3.200     1.300     1.300 peak  6636 weight  0.10000E+01 volume  0.45100E+00 ppm1      3.228 ppm2      4.563
 ASSI { 7257}
     (segid "    " and resid "23  " and name "HB1 ")
     (segid "    " and resid "87  " and name "HB2 ")
      2.700     0.900     0.900 peak  7257 weight  0.10000E+01 volume  0.31400E+00 ppm1      3.797 ppm2      2.100
 OR { 7257}
     (segid "    " and resid "23  " and name "HB2 ")
     (segid "    " and resid "87  " and name "HB2 ")
 ASSI { 7357}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "89  " and name "HA  ")
      5.000     3.100     1.000 peak  7357 weight  0.10000E+01 volume -0.43100E+00 ppm1      4.009 ppm2      4.526
 ASSI { 6678}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "31  " and name "HB1 ")
      5.000     3.100     1.000 peak  6678 weight  0.10000E+01 volume -0.76400E+00 ppm1      0.673 ppm2      2.641
 OR { 6678}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 6678}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 1041}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "81  " and name "HD1 ")
      6.000     4.500     0.000 peak  1041 weight  0.10000E+01 volume -0.23600E+00 ppm1      0.674 ppm2      3.421
 OR { 1041}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "81  " and name "HD1 ")
 OR { 1041}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "81  " and name "HD1 ")
 ASSI { 7016}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "49  " and name "HB  ")
      3.400     1.400     1.400 peak  7016 weight  0.10000E+01 volume  0.27800E+00 ppm1      0.783 ppm2      2.534
 OR { 7016}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "49  " and name "HB  ")
 OR { 7016}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "49  " and name "HB  ")
 ASSI { 6694}
     (segid "    " and resid "32  " and name "HE1 ")
     (segid "    " and resid "32  " and name "HG2 ")
      3.000     1.100     1.100 peak  6694 weight  0.10000E+01 volume  0.65300E+00 ppm1      1.967 ppm2      2.326
 OR { 6694}
     (segid "    " and resid "32  " and name "HE3 ")
     (segid "    " and resid "32  " and name "HG2 ")
 OR { 6694}
     (segid "    " and resid "32  " and name "HE2 ")
     (segid "    " and resid "32  " and name "HG2 ")
 ASSI { 6897}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "84  " and name "HG12")
      2.700     0.900     0.900 peak  6897 weight  0.10000E+01 volume  0.10590E+01 ppm1      0.793 ppm2      1.196
 OR { 6897}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "84  " and name "HG12")
 OR { 6897}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "84  " and name "HG12")
 ASSI { 6554}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "25  " and name "HB3 ")
      2.800     1.000     1.000 peak  6554 weight  0.10000E+01 volume  0.31090E+01 ppm1      0.845 ppm2      1.189
 OR { 6554}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 6554}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 6554}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "25  " and name "HB3 ")
 OR { 6554}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 6554}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 6842}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "41  " and name "HA  ")
      2.800     1.000     1.000 peak  6842 weight  0.10000E+01 volume  0.20480E+01 ppm1      0.696 ppm2      4.401
 OR { 6842}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 6842}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 6937}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HG1 ")
      5.000     3.100     1.000 peak  6937 weight  0.10000E+01 volume -0.41000E+00 ppm1      1.399 ppm2      2.429
 OR { 6937}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 6937}
     (segid "    " and resid "27  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HG2 ")
 OR { 6937}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HG2 ")
 ASSI { 7408}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "94  " and name "HA1 ")
      5.000     3.100     1.000 peak  7408 weight  0.10000E+01 volume -0.57600E+00 ppm1      1.259 ppm2      3.797
 OR { 7408}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "94  " and name "HA1 ")
 OR { 7408}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "94  " and name "HA1 ")
 ASSI { 6477}
     (segid "    " and resid "14  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG12")
      3.000     1.100     1.100 peak  6477 weight  0.10000E+01 volume  0.56800E+00 ppm1      1.252 ppm2      0.618
 OR { 6477}
     (segid "    " and resid "14  " and name "HB3 ")
     (segid "    " and resid "22  " and name "HG12")
 OR { 6477}
     (segid "    " and resid "14  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG12")
 ASSI { 7125}
     (segid "    " and resid "65  " and name "HG22")
     (segid "    " and resid "65  " and name "HA  ")
      2.700     0.900     0.900 peak  7125 weight  0.10000E+01 volume  0.21600E+01 ppm1      1.028 ppm2      4.672
 OR { 7125}
     (segid "    " and resid "65  " and name "HG21")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 7125}
     (segid "    " and resid "65  " and name "HG23")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 6560}
     (segid "    " and resid "46  " and name "HG12")
     (segid "    " and resid "26  " and name "HA  ")
      3.400     1.400     1.400 peak  6560 weight  0.10000E+01 volume  0.56100E+00 ppm1      0.699 ppm2      4.835
 OR { 6560}
     (segid "    " and resid "46  " and name "HG11")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 6560}
     (segid "    " and resid "46  " and name "HG13")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 6745}
     (segid "    " and resid "59  " and name "HD21")
     (segid "    " and resid "59  " and name "HG  ")
      2.200     0.600     0.600 peak  6745 weight  0.10000E+01 volume  0.40380E+01 ppm1      0.657 ppm2      1.287
 OR { 6745}
     (segid "    " and resid "59  " and name "HD23")
     (segid "    " and resid "59  " and name "HG  ")
 OR { 6745}
     (segid "    " and resid "59  " and name "HD22")
     (segid "    " and resid "59  " and name "HG  ")
 ASSI { 7172}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "73  " and name "HB2 ")
      3.300     1.400     1.400 peak  7172 weight  0.10000E+01 volume -0.27470E+01 ppm1      0.742 ppm2      1.582
 OR { 7172}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 7172}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 7172}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 7172}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 6237}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HB1 ")
      2.300     0.700     0.700 peak  6237 weight  0.10000E+01 volume  0.86000E+00 ppm1      1.358 ppm2      1.385
 ASSI { 6889}
     (segid "    " and resid "43  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     3.100     1.000 peak  6889 weight  0.10000E+01 volume -0.10440E+01 ppm1      1.305 ppm2      3.232
 ASSI { 6728}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HA  ")
      2.900     1.100     1.100 peak  6728 weight  0.10000E+01 volume  0.45400E+00 ppm1      1.333 ppm2      4.265
 ASSI { 6243}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HB2 ")
      2.200     2.200     2.800 peak  6243 weight  0.10000E+01 volume  0.11590E+01 ppm1      1.564 ppm2      1.240
 OR { 6243}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HB2 ")
 ASSI { 1079}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HB1 ")
      2.000     0.500     0.500 peak  1079 weight  0.10000E+01 volume  0.17710E+01 ppm1      2.673 ppm2      2.207
 OR { 1079}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HB2 ")
 OR { 1079}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HB2 ")
 OR { 1079}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HB1 ")
 ASSI { 3704}
     (segid "    " and resid "102 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HE1 ")
      5.000     3.100     1.000 peak  3704 weight  0.10000E+01 volume -0.40400E+00 ppm1      1.599 ppm2      2.333
 OR { 3704}
     (segid "    " and resid "102 " and name "HB1 ")
     (segid "    " and resid "102 " and name "HE2 ")
 ASSI { 6563}
     (segid "    " and resid "93  " and name "HB2 ")
     (segid "    " and resid "95  " and name "HB1 ")
      5.000     3.100     1.000 peak  6563 weight  0.10000E+01 volume -0.81900E+00 ppm1      1.717 ppm2      1.820
 ASSI { 6245}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HG1 ")
      2.300     0.700     0.700 peak  6245 weight  0.10000E+01 volume  0.90400E+00 ppm1      1.379 ppm2      1.598
 ASSI { 6663}
     (segid "    " and resid "86  " and name "HB2 ")
     (segid "    " and resid "86  " and name "HA  ")
      5.000     3.100     1.000 peak  6663 weight  0.10000E+01 volume -0.97300E+00 ppm1      1.626 ppm2      4.753
 ASSI { 6468}
     (segid "    " and resid "92  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HA  ")
      5.000     3.100     1.000 peak  6468 weight  0.10000E+01 volume -0.38500E+00 ppm1      1.581 ppm2      4.344
 ASSI { 7453}
     (segid "    " and resid "10  " and name "HB2 ")
     (segid "    " and resid "99  " and name "HA  ")
      3.100     1.200     1.200 peak  7453 weight  0.10000E+01 volume  0.31600E+00 ppm1      1.579 ppm2      4.615
 ASSI { 7078}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HG1 ")
      5.000     3.100     1.000 peak  7078 weight  0.10000E+01 volume -0.11930E+01 ppm1      1.461 ppm2      1.340
 OR { 7078}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 7352}
     (segid "    " and resid "87  " and name "HG1 ")
     (segid "    " and resid "87  " and name "HG2 ")
      2.000     0.500     0.500 peak  7352 weight  0.10000E+01 volume  0.21240E+01 ppm1      2.487 ppm2      2.171
 ASSI { 5669}
     (segid "    " and resid "107 " and name "HB2 ")
     (segid "    " and resid "1   " and name "HA  ")
      2.800     1.000     1.000 peak  5669 weight  0.10000E+01 volume  0.49800E+00 ppm1      3.324 ppm2      4.099
 ASSI { 5668}
     (segid "    " and resid "107 " and name "HB1 ")
     (segid "    " and resid "1   " and name "HA  ")
      2.900     1.100     1.100 peak  5668 weight  0.10000E+01 volume  0.42800E+00 ppm1      3.474 ppm2      4.105
 ASSI { 7405}
     (segid "    " and resid "90  " and name "HG22")
     (segid "    " and resid "93  " and name "HD1 ")
      5.000     3.100     1.000 peak  7405 weight  0.10000E+01 volume -0.63100E+00 ppm1      1.032 ppm2      3.698
 OR { 7405}
     (segid "    " and resid "90  " and name "HG21")
     (segid "    " and resid "93  " and name "HD1 ")
 OR { 7405}
     (segid "    " and resid "90  " and name "HG23")
     (segid "    " and resid "93  " and name "HD1 ")
 ASSI { 6526}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HB1 ")
      5.000     3.100     1.000 peak  6526 weight  0.10000E+01 volume -0.37700E+00 ppm1      3.691 ppm2      2.235
 ASSI { 6234}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     3.100     1.000 peak  6234 weight  0.10000E+01 volume -0.46500E+00 ppm1      2.898 ppm2      1.385
 ASSI { 6437}
     (segid "    " and resid "90  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB1 ")
      2.500     0.800     0.800 peak  6437 weight  0.10000E+01 volume  0.10170E+01 ppm1      4.028 ppm2      3.790
 OR { 6437}
     (segid "    " and resid "90  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB2 ")
 ASSI { 6823}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "39  " and name "HD13")
      3.200     1.300     1.300 peak  6823 weight  0.10000E+01 volume  0.14400E+01 ppm1      0.291 ppm2      0.973
 OR { 6823}
     (segid "    " and resid "41  " and name "HD12")
     (segid "    " and resid "39  " and name "HD11")
 OR { 6823}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "39  " and name "HD13")
 OR { 6823}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "39  " and name "HD11")
 OR { 6823}
     (segid "    " and resid "41  " and name "HD13")
     (segid "    " and resid "39  " and name "HD12")
 ASSI { 7049}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "51  " and name "HB2 ")
      3.500     1.500     1.500 peak  7049 weight  0.10000E+01 volume  0.24800E+00 ppm1      0.522 ppm2      3.588
 OR { 7049}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 7049}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "51  " and name "HB2 ")
 ASSI { 4053}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "22  " and name "HA  ")
      3.200     1.300     1.300 peak  4053 weight  0.10000E+01 volume  0.81500E+00 ppm1      0.513 ppm2      4.348
 OR { 4053}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 4053}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "22  " and name "HA  ")
 ASSI { 6589}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "27  " and name "HB2 ")
      3.700     1.700     1.700 peak  6589 weight  0.10000E+01 volume  0.68500E+00 ppm1      0.674 ppm2      1.396
 OR { 6589}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 6589}
     (segid "    " and resid "84  " and name "HD12")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6589}
     (segid "    " and resid "84  " and name "HD11")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6589}
     (segid "    " and resid "84  " and name "HD13")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 6490}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "22  " and name "HG21")
      2.800     1.000     1.000 peak  6490 weight  0.10000E+01 volume  0.31140E+01 ppm1      0.517 ppm2      0.785
 OR { 6490}
     (segid "    " and resid "22  " and name "HD13")
     (segid "    " and resid "22  " and name "HG23")
 OR { 6490}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "22  " and name "HG21")
 OR { 6490}
     (segid "    " and resid "22  " and name "HD11")
     (segid "    " and resid "22  " and name "HG23")
 OR { 6490}
     (segid "    " and resid "22  " and name "HD12")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 6531}
     (segid "    " and resid "24  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HG2 ")
      2.600     0.800     0.800 peak  6531 weight  0.10000E+01 volume  0.16380E+01 ppm1      1.838 ppm2      2.039
 OR { 6531}
     (segid "    " and resid "24  " and name "HE3 ")
     (segid "    " and resid "24  " and name "HG2 ")
 OR { 6531}
     (segid "    " and resid "24  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HG2 ")
 ASSI { 6836}
     (segid "    " and resid "32  " and name "HE3 ")
     (segid "    " and resid "40  " and name "HG22")
      3.300     1.400     1.400 peak  6836 weight  0.10000E+01 volume  0.13010E+01 ppm1      1.968 ppm2      1.238
 OR { 6836}
     (segid "    " and resid "32  " and name "HE2 ")
     (segid "    " and resid "40  " and name "HG22")
 OR { 6836}
     (segid "    " and resid "32  " and name "HE3 ")
     (segid "    " and resid "40  " and name "HG21")
 OR { 6836}
     (segid "    " and resid "32  " and name "HE3 ")
     (segid "    " and resid "40  " and name "HG23")
 OR { 6836}
     (segid "    " and resid "32  " and name "HE2 ")
     (segid "    " and resid "40  " and name "HG23")
 OR { 6836}
     (segid "    " and resid "32  " and name "HE1 ")
     (segid "    " and resid "40  " and name "HG23")
 ASSI { 6875}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "41  " and name "HD11")
      3.500     1.500     1.500 peak  6875 weight  0.10000E+01 volume  0.94600E+00 ppm1      0.794 ppm2      0.292
 OR { 6875}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "41  " and name "HD11")
 OR { 6875}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "41  " and name "HD11")
 OR { 6875}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6875}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6875}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "41  " and name "HD13")
 ASSI { 6587}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "27  " and name "HB2 ")
      3.700     1.700     1.700 peak  6587 weight  0.10000E+01 volume  0.67600E+00 ppm1      0.797 ppm2      1.396
 OR { 6587}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 6587}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 6587}
     (segid "    " and resid "84  " and name "HG21")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6587}
     (segid "    " and resid "84  " and name "HG22")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6587}
     (segid "    " and resid "84  " and name "HG23")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 6877}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "41  " and name "HD13")
      2.800     1.000     1.000 peak  6877 weight  0.10000E+01 volume  0.31220E+01 ppm1      0.694 ppm2      0.317
 OR { 6877}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "41  " and name "HD11")
 OR { 6877}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "41  " and name "HD11")
 OR { 6877}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6877}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "41  " and name "HD11")
 OR { 6877}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "41  " and name "HD13")
 ASSI { 6940}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "45  " and name "HG1 ")
      5.000     3.100     1.000 peak  6940 weight  0.10000E+01 volume -0.60700E+00 ppm1      0.697 ppm2      2.432
 OR { 6940}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 6940}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "45  " and name "HG1 ")
 OR { 6940}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "45  " and name "HG2 ")
 OR { 6940}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "45  " and name "HG2 ")
 ASSI { 6683}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "31  " and name "HD1 ")
      4.400     2.400     1.600 peak  6683 weight  0.10000E+01 volume  0.24100E+00 ppm1      0.693 ppm2      7.384
 OR { 6683}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 6683}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "31  " and name "HD1 ")
 OR { 6683}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "31  " and name "HD2 ")
 ASSI { 6848}
     (segid "    " and resid "41  " and name "HG23")
     (segid "    " and resid "41  " and name "HB  ")
      3.300     1.400     1.400 peak  6848 weight  0.10000E+01 volume -0.21580E+01 ppm1      0.695 ppm2      1.489
 OR { 6848}
     (segid "    " and resid "41  " and name "HG21")
     (segid "    " and resid "41  " and name "HB  ")
 OR { 6848}
     (segid "    " and resid "41  " and name "HG22")
     (segid "    " and resid "41  " and name "HB  ")
 ASSI { 6543}
     (segid "    " and resid "85  " and name "HG21")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     4.500     0.000 peak  6543 weight  0.10000E+01 volume -0.27800E+00 ppm1      0.842 ppm2      5.289
 OR { 6543}
     (segid "    " and resid "85  " and name "HG23")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 6543}
     (segid "    " and resid "85  " and name "HG22")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 6761}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD1 ")
      5.000     3.100     1.000 peak  6761 weight  0.10000E+01 volume -0.65700E+00 ppm1      1.318 ppm2      3.762
 OR { 6761}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "34  " and name "HD1 ")
 OR { 6761}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HD1 ")
 ASSI { 6773}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "34  " and name "HD2 ")
      5.000     3.100     1.000 peak  6773 weight  0.10000E+01 volume -0.71900E+00 ppm1      1.318 ppm2      3.254
 OR { 6773}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HD2 ")
 OR { 6773}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HD2 ")
 ASSI { 6729}
     (segid "    " and resid "33  " and name "HB3 ")
     (segid "    " and resid "34  " and name "HA  ")
      3.900     1.900     1.900 peak  6729 weight  0.10000E+01 volume  0.26500E+00 ppm1      1.313 ppm2      4.245
 OR { 6729}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 6729}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HA  ")
 ASSI { 7426}
     (segid "    " and resid "96  " and name "HG23")
     (segid "    " and resid "96  " and name "HB  ")
      2.100     0.600     0.600 peak  7426 weight  0.10000E+01 volume  0.58260E+01 ppm1      0.698 ppm2      1.614
 OR { 7426}
     (segid "    " and resid "96  " and name "HG13")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 7426}
     (segid "    " and resid "96  " and name "HG21")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 7426}
     (segid "    " and resid "96  " and name "HG22")
     (segid "    " and resid "96  " and name "HB  ")
 OR { 7426}
     (segid "    " and resid "96  " and name "HG12")
     (segid "    " and resid "96  " and name "HB  ")
 ASSI { 4108}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "38  " and name "HE1 ")
      3.600     1.600     1.600 peak  4108 weight  0.10000E+01 volume  0.73000E+00 ppm1      0.527 ppm2      6.872
 OR { 4108}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "38  " and name "HE1 ")
 OR { 4108}
     (segid "    " and resid "7   " and name "HD12")
     (segid "    " and resid "38  " and name "HE2 ")
 OR { 4108}
     (segid "    " and resid "7   " and name "HD11")
     (segid "    " and resid "38  " and name "HE2 ")
 ASSI { 7094}
     (segid "    " and resid "59  " and name "HD22")
     (segid "    " and resid "59  " and name "HA  ")
      3.300     1.400     1.400 peak  7094 weight  0.10000E+01 volume -0.36500E+01 ppm1      0.653 ppm2      3.979
 OR { 7094}
     (segid "    " and resid "59  " and name "HD21")
     (segid "    " and resid "59  " and name "HA  ")
 OR { 7094}
     (segid "    " and resid "59  " and name "HD23")
     (segid "    " and resid "59  " and name "HA  ")
 ASSI { 6874}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "41  " and name "HD12")
      3.400     1.400     1.400 peak  6874 weight  0.10000E+01 volume  0.10700E+01 ppm1      0.893 ppm2      0.312
 OR { 6874}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6874}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6874}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "41  " and name "HD12")
 OR { 6874}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "41  " and name "HD13")
 OR { 6874}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "41  " and name "HD13")
 ASSI { 7251}
     (segid "    " and resid "39  " and name "HD22")
     (segid "    " and resid "80  " and name "HE2 ")
      4.500     2.500     1.500 peak  7251 weight  0.10000E+01 volume  0.20200E+00 ppm1      0.901 ppm2      6.959
 OR { 7251}
     (segid "    " and resid "39  " and name "HD23")
     (segid "    " and resid "80  " and name "HE2 ")
 OR { 7251}
     (segid "    " and resid "39  " and name "HD21")
     (segid "    " and resid "80  " and name "HE2 ")
 ASSI { 6242}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HB2 ")
      2.300     0.700     0.700 peak  6242 weight  0.10000E+01 volume  0.89100E+00 ppm1      1.602 ppm2      1.240
 ASSI { 6244}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HB2 ")
      2.400     0.700     0.700 peak  6244 weight  0.10000E+01 volume  0.72300E+00 ppm1      1.354 ppm2      1.240
 ASSI { 7116}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "64  " and name "HB2 ")
      3.400     1.400     1.400 peak  7116 weight  0.10000E+01 volume  0.31400E+00 ppm1      0.973 ppm2      3.806
 OR { 7116}
     (segid "    " and resid "39  " and name "HD12")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 7116}
     (segid "    " and resid "39  " and name "HD13")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7116}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7116}
     (segid "    " and resid "39  " and name "HD11")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 7118}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "64  " and name "HB2 ")
      3.300     1.400     1.400 peak  7118 weight  0.10000E+01 volume  0.36300E+00 ppm1      0.526 ppm2      3.809
 OR { 7118}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7118}
     (segid "    " and resid "77  " and name "HD11")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 7118}
     (segid "    " and resid "77  " and name "HD12")
     (segid "    " and resid "64  " and name "HB1 ")
 OR { 7118}
     (segid "    " and resid "77  " and name "HD13")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 5680}
     (segid "    " and resid "3   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HA1 ")
      6.000     4.500     0.000 peak  5680 weight  0.10000E+01 volume -0.23400E+00 ppm1      2.032 ppm2      4.374
 ASSI { 5457}
     (segid "    " and resid "41  " and name "HG12")
     (segid "    " and resid "41  " and name "HG11")
      2.000     0.500     0.500 peak  5457 weight  0.10000E+01 volume  0.22670E+01 ppm1      0.773 ppm2      1.448
 ASSI { 6847}
     (segid "    " and resid "41  " and name "HG12")
     (segid "    " and resid "41  " and name "HB  ")
      5.000     3.100     1.000 peak  6847 weight  0.10000E+01 volume -0.47800E+00 ppm1      0.766 ppm2      1.495
 ASSI { 7274}
     (segid "    " and resid "81  " and name "HG2 ")
     (segid "    " and resid "81  " and name "HD2 ")
      5.000     3.100     1.000 peak  7274 weight  0.10000E+01 volume -0.46300E+00 ppm1      1.890 ppm2      2.695
 OR { 7274}
     (segid "    " and resid "81  " and name "HG1 ")
     (segid "    " and resid "81  " and name "HD2 ")
 ASSI { 6500}
     (segid "    " and resid "22  " and name "HG12")
     (segid "    " and resid "22  " and name "HD13")
      2.900     1.100     1.100 peak  6500 weight  0.10000E+01 volume  0.78100E+00 ppm1      0.599 ppm2      0.519
 OR { 6500}
     (segid "    " and resid "22  " and name "HG12")
     (segid "    " and resid "22  " and name "HD12")
 OR { 6500}
     (segid "    " and resid "22  " and name "HG12")
     (segid "    " and resid "22  " and name "HD11")
 ASSI { 6886}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     3.100     1.000 peak  6886 weight  0.10000E+01 volume -0.10500E+01 ppm1      1.452 ppm2      3.232
 ASSI { 6648}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HG2 ")
      2.700     0.900     0.900 peak  6648 weight  0.10000E+01 volume -0.59880E+01 ppm1      1.922 ppm2      2.216
 OR { 6648}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HG2 ")
 OR { 6648}
     (segid "    " and resid "89  " and name "HB2 ")
     (segid "    " and resid "89  " and name "HG1 ")
 OR { 6648}
     (segid "    " and resid "89  " and name "HB1 ")
     (segid "    " and resid "89  " and name "HG1 ")
 ASSI { 7458}
     (segid "    " and resid "99  " and name "HB2 ")
     (segid "    " and resid "99  " and name "HG2 ")
      1.800     0.400     0.400 peak  7458 weight  0.10000E+01 volume  0.34430E+01 ppm1      1.826 ppm2      1.613
 OR { 7458}
     (segid "    " and resid "99  " and name "HB2 ")
     (segid "    " and resid "99  " and name "HG1 ")
 ASSI { 7457}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HG1 ")
      1.900     0.500     0.500 peak  7457 weight  0.10000E+01 volume  0.27300E+01 ppm1      1.949 ppm2      1.595
 OR { 7457}
     (segid "    " and resid "99  " and name "HB1 ")
     (segid "    " and resid "99  " and name "HG2 ")
 ASSI { 6406}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HA  ")
      2.400     0.700     0.700 peak  6406 weight  0.10000E+01 volume  0.12000E+01 ppm1      2.457 ppm2      3.918
 OR { 6406}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 7131}
     (segid "    " and resid "66  " and name "HG2 ")
     (segid "    " and resid "66  " and name "HA  ")
      2.200     0.600     0.600 peak  7131 weight  0.10000E+01 volume  0.23610E+01 ppm1      2.355 ppm2      4.418
 OR { 7131}
     (segid "    " and resid "66  " and name "HG1 ")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 6658}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HA  ")
      2.700     0.900     0.900 peak  6658 weight  0.10000E+01 volume  0.60700E+00 ppm1      1.443 ppm2      4.764
 ASSI { 7096}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD22")
      5.000     3.100     1.000 peak  7096 weight  0.10000E+01 volume -0.12130E+01 ppm1      0.946 ppm2      0.653
 OR { 7096}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD22")
 OR { 7096}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD21")
 OR { 7096}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD21")
 ASSI { 6783}
     (segid "    " and resid "36  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HA  ")
      2.700     0.900     0.900 peak  6783 weight  0.10000E+01 volume  0.70000E+00 ppm1      3.633 ppm2      4.751
 ASSI { 6828}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD22")
      5.000     3.100     1.000 peak  6828 weight  0.10000E+01 volume -0.46500E+00 ppm1      1.625 ppm2      0.898
 OR { 6828}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 6828}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 6828}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD21")
 ASSI { 6623}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD22")
      3.300     1.400     1.400 peak  6623 weight  0.10000E+01 volume -0.26760E+01 ppm1      1.612 ppm2      0.783
 OR { 6623}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 6623}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 6623}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 6623}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 6829}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD22")
      5.000     3.100     1.000 peak  6829 weight  0.10000E+01 volume -0.87800E+00 ppm1      1.454 ppm2      0.898
 OR { 6829}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD21")
 OR { 6829}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HD23")
 ASSI { 6820}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD13")
      5.000     3.100     1.000 peak  6820 weight  0.10000E+01 volume -0.97800E+00 ppm1      1.657 ppm2      0.973
 OR { 6820}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 6820}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD12")
 ASSI { 6827}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD22")
      5.000     3.100     1.000 peak  6827 weight  0.10000E+01 volume -0.10240E+01 ppm1      1.657 ppm2      0.898
 OR { 6827}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD21")
 OR { 6827}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HD23")
 ASSI { 7394}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HA  ")
      6.000     4.500     0.000 peak  7394 weight  0.10000E+01 volume -0.26700E+00 ppm1      3.692 ppm2      4.167
 ASSI { 6703}
     (segid "    " and resid "93  " and name "HD1 ")
     (segid "    " and resid "93  " and name "HB2 ")
      5.000     3.100     1.000 peak  6703 weight  0.10000E+01 volume -0.37300E+00 ppm1      3.694 ppm2      1.724
 ASSI { 6222}
     (segid "    " and resid "5   " and name "HD1 ")
     (segid "    " and resid "5   " and name "HG1 ")
      5.000     3.100     1.000 peak  6222 weight  0.10000E+01 volume -0.49300E+00 ppm1      3.853 ppm2      1.997
 ASSI { 7281}
     (segid "    " and resid "83  " and name "HA  ")
     (segid "    " and resid "83  " and name "HB1 ")
      3.300     1.400     1.400 peak  7281 weight  0.10000E+01 volume -0.29840E+01 ppm1      4.024 ppm2      3.712
 ASSI { 7280}
     (segid "    " and resid "83  " and name "HA  ")
     (segid "    " and resid "83  " and name "HB2 ")
      3.300     1.400     1.400 peak  7280 weight  0.10000E+01 volume -0.29510E+01 ppm1      4.019 ppm2      3.885
 ASSI { 7340}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG22")
      3.200     1.300     1.300 peak  7340 weight  0.10000E+01 volume  0.89500E+00 ppm1      2.873 ppm2      0.850
 OR { 7340}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG23")
 OR { 7340}
     (segid "    " and resid "82  " and name "HA  ")
     (segid "    " and resid "85  " and name "HG21")
 ASSI { 6438}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HB2 ")
      1.800     0.400     0.400 peak  6438 weight  0.10000E+01 volume  0.31700E+01 ppm1      3.509 ppm2      3.790
 ASSI { 6502}
     (segid "    " and resid "90  " and name "HB  ")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     3.100     1.000 peak  6502 weight  0.10000E+01 volume -0.45800E+00 ppm1      4.007 ppm2      4.931
 ASSI { 6064}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG11")
      3.600     1.600     1.600 peak  6064 weight  0.10000E+01 volume  0.33200E+00 ppm1      7.516 ppm2      1.615
 ASSI { 5917}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD22")
      6.000     4.500     0.000 peak  5917 weight  0.10000E+01 volume -0.15900E+00 ppm1      7.953 ppm2      0.791
 OR { 5917}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 5917}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD21")
 ASSI { 6157}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HB  ")
      3.200     1.300     1.300 peak  6157 weight  0.10000E+01 volume  0.72900E+00 ppm1      8.516 ppm2      1.906
 ASSI { 6091}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      5.000     3.100     1.000 peak  6091 weight  0.10000E+01 volume -0.97800E+00 ppm1      9.044 ppm2      1.198
 OR { 6091}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 6091}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
 ASSI { 6085}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG21")
      5.000     3.100     1.000 peak  6085 weight  0.10000E+01 volume -0.32600E+00 ppm1      9.360 ppm2      0.859
 OR { 6085}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 6085}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG23")
 ASSI { 5944}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG11")
      6.000     4.500     0.000 peak  5944 weight  0.10000E+01 volume  0.29600E+00 ppm1      9.420 ppm2      0.438
 OR { 5944}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG12")
 OR { 5944}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG13")
 ASSI { 2245}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD11")
      6.000     4.500     0.000 peak  2245 weight  0.10000E+01 volume -0.27300E+00 ppm1      8.570 ppm2      0.799
 OR { 2245}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD12")
 OR { 2245}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 1670}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD13")
      5.000     3.100     1.000 peak  1670 weight  0.10000E+01 volume -0.32200E+00 ppm1      8.894 ppm2      0.894
 OR { 1670}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 1670}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 1201}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB2 ")
      5.000     3.100     1.000 peak  1201 weight  0.10000E+01 volume -0.63200E+00 ppm1      7.933 ppm2      1.855
 ASSI { 5789}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      6.000     4.500     0.000 peak  5789 weight  0.10000E+01 volume  0.27200E+00 ppm1      8.995 ppm2      4.542
 ASSI { 5889}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD1 ")
      3.200     1.300     1.300 peak  5889 weight  0.10000E+01 volume  0.66700E+00 ppm1      9.143 ppm2      3.184
 OR { 5889}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD2 ")
 ASSI { 6017}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG  ")
      3.700     1.700     1.700 peak  6017 weight  0.10000E+01 volume  0.29300E+00 ppm1      8.805 ppm2      1.296
 ASSI { 1176}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HB1 ")
      2.900     1.100     1.100 peak  1176 weight  0.10000E+01 volume  0.12130E+01 ppm1      8.708 ppm2      2.207
 OR { 1176}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HB2 ")
 ASSI { 5907}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB2 ")
      2.700     2.700     2.300 peak  5907 weight  0.10000E+01 volume  0.20690E+01 ppm1      7.327 ppm2      1.931
 ASSI { 5904}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      3.300     1.400     1.400 peak  5904 weight  0.10000E+01 volume -0.32250E+01 ppm1      7.327 ppm2      4.299
 ASSI { 5928}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD22")
      5.000     3.100     1.000 peak  5928 weight  0.10000E+01 volume -0.37900E+00 ppm1      8.670 ppm2      0.801
 OR { 5928}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD23")
 OR { 5928}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD21")
 ASSI { 6076}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG12")
      5.000     3.100     1.000 peak  6076 weight  0.10000E+01 volume -0.89400E+00 ppm1      8.598 ppm2      0.494
 OR { 6076}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG13")
 OR { 6076}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG11")
 ASSI { 5914}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG1 ")
      5.000     3.100     1.000 peak  5914 weight  0.10000E+01 volume -0.72000E+00 ppm1      7.951 ppm2      1.736
 ASSI { 5871}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
      5.000     3.100     1.000 peak  5871 weight  0.10000E+01 volume -0.51900E+00 ppm1      8.293 ppm2      1.729
 OR { 5871}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 5871}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 5753}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HG  ")
      5.000     3.100     1.000 peak  5753 weight  0.10000E+01 volume -0.53900E+00 ppm1      9.144 ppm2      1.583
 ASSI { 5785}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG11")
      5.000     3.100     1.000 peak  5785 weight  0.10000E+01 volume -0.32600E+00 ppm1      8.756 ppm2      1.431
 ASSI { 5812}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     3.100     1.000 peak  5812 weight  0.10000E+01 volume -0.87500E+00 ppm1      8.386 ppm2      1.951
 ASSI { 6158}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HD2 ")
      5.000     3.100     1.000 peak  6158 weight  0.10000E+01 volume -0.71400E+00 ppm1      8.515 ppm2      1.760
 OR { 6158}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HD1 ")
 ASSI { 5832}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     4.500     0.000 peak  5832 weight  0.10000E+01 volume  0.54000E+00 ppm1      8.971 ppm2      4.903
 ASSI { 4051}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD13")
      5.000     3.100     1.000 peak  4051 weight  0.10000E+01 volume -0.74300E+00 ppm1      9.750 ppm2      0.798
 OR { 4051}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD11")
 OR { 4051}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD12")
 ASSI { 3717}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HG  ")
      5.000     3.100     1.000 peak  3717 weight  0.10000E+01 volume -0.82200E+00 ppm1      9.750 ppm2      1.579
 ASSI { 2234}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
      6.000     4.500     0.000 peak  2234 weight  0.10000E+01 volume  0.26900E+00 ppm1      7.629 ppm2      0.760
 OR { 2234}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 2234}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD22")
 ASSI {  184}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "106 " and name "HE2 ")
      6.000     4.500     0.000 peak   184 weight  0.10000E+01 volume  0.22300E+00 ppm1      8.708 ppm2      6.696
 ASSI { 1452}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HD1 ")
      3.800     1.800     1.800 peak  1452 weight  0.10000E+01 volume  0.27200E+00 ppm1      6.580 ppm2      1.612
 OR { 1452}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 2194}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD13")
      6.000     4.500     0.000 peak  2194 weight  0.10000E+01 volume  0.67500E+00 ppm1      7.415 ppm2      0.773
 OR { 2194}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD11")
 OR { 2194}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD12")
 ASSI { 5803}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG2 ")
      3.200     1.300     1.300 peak  5803 weight  0.10000E+01 volume  0.77700E+00 ppm1      8.820 ppm2      1.407
 OR { 5803}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG1 ")
 ASSI { 5880}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
      5.000     3.100     1.000 peak  5880 weight  0.10000E+01 volume -0.56100E+00 ppm1      7.433 ppm2      1.923
 ASSI { 2246}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
      5.000     3.100     1.000 peak  2246 weight  0.10000E+01 volume -0.43300E+00 ppm1      8.564 ppm2      0.768
 OR { 2246}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 2246}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD23")
 ASSI { 6099}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      6.000     4.500     0.000 peak  6099 weight  0.10000E+01 volume -0.27900E+00 ppm1      7.662 ppm2      1.194
 OR { 6099}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 6099}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
 ASSI { 6005}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HG1 ")
      5.000     3.100     1.000 peak  6005 weight  0.10000E+01 volume -0.15540E+01 ppm1      7.892 ppm2      1.551
 OR { 6005}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HG2 ")
 ASSI { 6118}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD12")
      5.000     3.100     1.000 peak  6118 weight  0.10000E+01 volume -0.60000E+00 ppm1      8.175 ppm2      0.780
 OR { 6118}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD13")
 OR { 6118}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD11")
 ASSI { 6172}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB1 ")
      3.600     1.600     1.600 peak  6172 weight  0.10000E+01 volume  0.35600E+00 ppm1      9.120 ppm2      2.985
 ASSI { 6120}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
      5.000     3.100     1.000 peak  6120 weight  0.10000E+01 volume -0.62800E+00 ppm1      8.173 ppm2      0.757
 OR { 6120}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 6120}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD22")
 ASSI { 2845}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG12")
      6.000     4.500     0.000 peak  2845 weight  0.10000E+01 volume -0.19100E+00 ppm1      8.758 ppm2      0.781
 ASSI { 5836}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
      3.900     1.900     1.900 peak  5836 weight  0.10000E+01 volume  0.21700E+00 ppm1      8.974 ppm2      2.450
 ASSI { 5826}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA  ")
      5.000     3.100     1.000 peak  5826 weight  0.10000E+01 volume -0.38700E+00 ppm1      8.997 ppm2      4.532
 ASSI { 6089}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG1 ")
      3.900     1.900     1.900 peak  6089 weight  0.10000E+01 volume  0.21600E+00 ppm1      9.048 ppm2      2.497
 ASSI { 6088}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB2 ")
      5.000     3.100     1.000 peak  6088 weight  0.10000E+01 volume -0.79000E+00 ppm1      9.044 ppm2      2.106
 OR { 6088}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB1 ")
 ASSI { 2381}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG11")
      5.000     3.100     1.000 peak  2381 weight  0.10000E+01 volume -0.10080E+01 ppm1      8.810 ppm2      0.846
 OR { 2381}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG13")
 OR { 2381}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG12")
 ASSI { 5765}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD1 ")
      5.000     3.100     1.000 peak  5765 weight  0.10000E+01 volume -0.54000E+00 ppm1      9.123 ppm2      7.396
 ASSI { 6083}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG1 ")
      5.000     3.100     1.000 peak  6083 weight  0.10000E+01 volume -0.56800E+00 ppm1      9.363 ppm2      1.674
 ASSI { 3371}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB1 ")
      5.000     3.100     1.000 peak  3371 weight  0.10000E+01 volume -0.34900E+00 ppm1      9.365 ppm2      1.832
 ASSI { 2276}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
      5.000     3.100     1.000 peak  2276 weight  0.10000E+01 volume -0.53100E+00 ppm1      9.439 ppm2      2.000
 ASSI { 5903}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      3.100     1.200     1.200 peak  5903 weight  0.10000E+01 volume  0.80900E+00 ppm1      7.737 ppm2      1.957
 OR { 5903}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 5721}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB2 ")
      3.200     1.300     1.300 peak  5721 weight  0.10000E+01 volume  0.78400E+00 ppm1      7.412 ppm2      1.683
 ASSI { 2230}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
      6.000     4.500     0.000 peak  2230 weight  0.10000E+01 volume  0.19600E+00 ppm1      7.626 ppm2      1.268
 OR { 2230}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 2230}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB2 ")
 ASSI { 2235}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG13")
      6.000     4.500     0.000 peak  2235 weight  0.10000E+01 volume  0.72300E+00 ppm1      7.625 ppm2      0.715
 OR { 2235}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 2235}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG12")
 ASSI { 6048}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "81  " and name "HG2 ")
      3.600     1.600     1.600 peak  6048 weight  0.10000E+01 volume  0.34700E+00 ppm1      7.668 ppm2      1.915
 OR { 6048}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "81  " and name "HG1 ")
 ASSI { 5881}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
      5.800     4.200     0.200 peak  5881 weight  0.10000E+01 volume  0.11720E+01 ppm1      7.431 ppm2      1.700
 OR { 5881}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
 OR { 5881}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB3 ")
 ASSI { 5906}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
      2.700     0.900     0.900 peak  5906 weight  0.10000E+01 volume  0.19920E+01 ppm1      7.327 ppm2      2.108
 ASSI { 5909}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG2 ")
      2.900     2.900     2.100 peak  5909 weight  0.10000E+01 volume  0.12030E+01 ppm1      7.336 ppm2      1.384
 ASSI { 5925}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HG  ")
      5.000     3.100     1.000 peak  5925 weight  0.10000E+01 volume -0.33000E+00 ppm1      8.664 ppm2      1.289
 ASSI { 6178}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB2 ")
      2.800     1.000     1.000 peak  6178 weight  0.10000E+01 volume  0.14780E+01 ppm1      8.496 ppm2      2.627
 ASSI { 6181}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HD2 ")
      5.000     3.100     1.000 peak  6181 weight  0.10000E+01 volume -0.35900E+00 ppm1      8.493 ppm2      1.258
 OR { 6181}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HD1 ")
 ASSI { 1531}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
      5.000     3.100     1.000 peak  1531 weight  0.10000E+01 volume -0.19890E+01 ppm1      7.819 ppm2      1.706
 OR { 1531}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
 OR { 1531}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB3 ")
 ASSI { 6003}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA  ")
      6.000     4.500     0.000 peak  6003 weight  0.10000E+01 volume  0.40730E+01 ppm1      7.892 ppm2      4.179
 ASSI { 5984}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB1 ")
      2.900     1.100     1.100 peak  5984 weight  0.10000E+01 volume  0.13630E+01 ppm1      7.924 ppm2      2.639
 OR { 5984}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 1938}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB2 ")
      3.700     1.700     1.700 peak  1938 weight  0.10000E+01 volume  0.28500E+00 ppm1      8.437 ppm2      3.373
 ASSI { 1653}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
      6.000     4.500     0.000 peak  1653 weight  0.10000E+01 volume -0.26100E+00 ppm1      8.887 ppm2      1.337
 OR { 1653}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 2057}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      6.000     4.500     0.000 peak  2057 weight  0.10000E+01 volume  0.66500E+00 ppm1      8.166 ppm2      4.365
 ASSI { 6127}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD2 ")
      6.000     4.500     0.000 peak  6127 weight  0.10000E+01 volume -0.26900E+00 ppm1      7.511 ppm2      1.647
 OR { 6127}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD1 ")
 ASSI { 5912}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD2 ")
      3.500     1.500     1.500 peak  5912 weight  0.10000E+01 volume  0.40300E+00 ppm1      7.951 ppm2      3.208
 OR { 5912}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD1 ")
 ASSI { 6174}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG23")
      5.000     3.100     1.000 peak  6174 weight  0.10000E+01 volume -0.71100E+00 ppm1      9.124 ppm2      0.954
 OR { 6174}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG21")
 OR { 6174}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG22")
 ASSI { 5993}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HG  ")
      5.000     3.100     1.000 peak  5993 weight  0.10000E+01 volume -0.14490E+01 ppm1      8.108 ppm2      1.561
 ASSI { 5795}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG1 ")
      5.000     3.100     1.000 peak  5795 weight  0.10000E+01 volume -0.10910E+01 ppm1      8.999 ppm2      1.445
 ASSI { 6135}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HB2 ")
      3.400     1.400     1.400 peak  6135 weight  0.10000E+01 volume  0.48300E+00 ppm1      8.544 ppm2      1.707
 ASSI { 6137}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG1 ")
      6.000     4.500     0.000 peak  6137 weight  0.10000E+01 volume -0.28100E+00 ppm1      8.546 ppm2      1.266
 OR { 6137}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG2 ")
 ASSI { 5837}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     4.500     0.000 peak  5837 weight  0.10000E+01 volume -0.23700E+00 ppm1      8.969 ppm2      1.496
 ASSI { 5828}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB  ")
      6.000     4.500     0.000 peak  5828 weight  0.10000E+01 volume -0.27800E+00 ppm1      8.995 ppm2      1.888
 ASSI { 3398}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     4.500     0.000 peak  3398 weight  0.10000E+01 volume  0.16250E+01 ppm1      9.045 ppm2      5.289
 ASSI { 6090}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG2 ")
      3.700     1.700     1.700 peak  6090 weight  0.10000E+01 volume  0.30400E+00 ppm1      9.044 ppm2      2.148
 ASSI { 2193}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD22")
      6.000     4.500     0.000 peak  2193 weight  0.10000E+01 volume  0.48200E+00 ppm1      7.416 ppm2      0.785
 OR { 2193}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 2193}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 5891}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     3.100     1.000 peak  5891 weight  0.10000E+01 volume -0.53500E+00 ppm1      9.144 ppm2      1.856
 ASSI { 5767}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
      6.000     4.500     0.000 peak  5767 weight  0.10000E+01 volume  0.46700E+00 ppm1      9.120 ppm2      4.495
 ASSI { 6081}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB1 ")
      3.300     1.400     1.400 peak  6081 weight  0.10000E+01 volume -0.32280E+01 ppm1      9.362 ppm2      2.104
 ASSI { 6082}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB2 ")
      5.000     3.100     1.000 peak  6082 weight  0.10000E+01 volume -0.31100E+00 ppm1      9.362 ppm2      1.664
 ASSI { 2285}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG12")
      5.000     3.100     1.000 peak  2285 weight  0.10000E+01 volume -0.53500E+00 ppm1      9.435 ppm2      0.694
 OR { 2285}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 2285}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG13")
 ASSI { 2277}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
      3.100     1.200     1.200 peak  2277 weight  0.10000E+01 volume  0.79400E+00 ppm1      9.442 ppm2      1.950
 ASSI { 6145}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD21")
      5.000     3.100     1.000 peak  6145 weight  0.10000E+01 volume -0.38400E+00 ppm1      8.367 ppm2      0.717
 OR { 6145}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD22")
 OR { 6145}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 2215}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG11")
      4.100     2.100     1.900 peak  2215 weight  0.10000E+01 volume  0.17200E+00 ppm1      7.624 ppm2      1.784
 ASSI { 2228}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
      3.700     1.700     1.700 peak  2228 weight  0.10000E+01 volume  0.27700E+00 ppm1      7.625 ppm2      1.501
 ASSI { 3457}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB1 ")
      3.000     1.100     1.100 peak  3457 weight  0.10000E+01 volume  0.95600E+00 ppm1      8.502 ppm2      2.254
 ASSI { 3464}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
      6.000     4.500     0.000 peak  3464 weight  0.10000E+01 volume  0.31100E+00 ppm1      8.507 ppm2      0.498
 OR { 3464}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
 OR { 3464}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 1790}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     3.100     1.000 peak  1790 weight  0.10000E+01 volume -0.66700E+00 ppm1      7.602 ppm2      4.739
 ASSI { 1819}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
      3.600     1.600     1.600 peak  1819 weight  0.10000E+01 volume  0.36000E+00 ppm1      7.608 ppm2      1.615
 ASSI { 5893}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
      5.000     3.100     1.000 peak  5893 weight  0.10000E+01 volume -0.16390E+01 ppm1      9.141 ppm2      4.750
 ASSI {  182}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "107 " and name "HA  ")
      6.000     4.500     0.000 peak   182 weight  0.10000E+01 volume -0.20100E+00 ppm1      8.708 ppm2      4.790
 ASSI { 5958}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB2 ")
      6.000     4.500     0.000 peak  5958 weight  0.10000E+01 volume -0.16700E+00 ppm1      9.081 ppm2      3.158
 ASSI { 2185}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
      5.000     3.100     1.000 peak  2185 weight  0.10000E+01 volume -0.89400E+00 ppm1      7.422 ppm2      4.271
 ASSI { 2188}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      3.200     1.300     1.300 peak  2188 weight  0.10000E+01 volume  0.67200E+00 ppm1      7.416 ppm2      1.886
 OR { 2188}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2188}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 6049}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB2 ")
      3.800     1.800     1.800 peak  6049 weight  0.10000E+01 volume  0.27100E+00 ppm1      7.669 ppm2      1.827
 ASSI { 6047}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "81  " and name "HB1 ")
      3.400     1.400     1.400 peak  6047 weight  0.10000E+01 volume  0.53600E+00 ppm1      7.669 ppm2      2.073
 ASSI { 5801}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
      3.500     1.500     1.500 peak  5801 weight  0.10000E+01 volume  0.41300E+00 ppm1      8.817 ppm2      1.425
 ASSI { 6054}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB  ")
      5.000     3.100     1.000 peak  6054 weight  0.10000E+01 volume -0.66700E+00 ppm1      7.262 ppm2      2.114
 ASSI { 5878}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA  ")
      5.000     3.100     1.000 peak  5878 weight  0.10000E+01 volume -0.14100E+01 ppm1      7.423 ppm2      4.363
 ASSI { 5924}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      3.000     1.100     1.100 peak  5924 weight  0.10000E+01 volume  0.10630E+01 ppm1      8.663 ppm2      2.977
 ASSI { 2237}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     4.500     0.000 peak  2237 weight  0.10000E+01 volume  0.40300E+00 ppm1      8.561 ppm2      4.914
 ASSI { 4867}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD1 ")
      3.200     1.300     1.300 peak  4867 weight  0.10000E+01 volume  0.65200E+00 ppm1      8.302 ppm2      3.194
 OR { 4867}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD2 ")
 ASSI { 6026}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "79  " and name "HB1 ")
      4.000     2.000     2.000 peak  6026 weight  0.10000E+01 volume  0.18400E+00 ppm1      8.497 ppm2      2.673
 ASSI { 6095}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA  ")
      6.000     4.500     0.000 peak  6095 weight  0.10000E+01 volume  0.99400E+00 ppm1      7.661 ppm2      4.230
 ASSI { 1848}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB2 ")
      2.700     0.900     0.900 peak  1848 weight  0.10000E+01 volume  0.19110E+01 ppm1      9.001 ppm2      2.782
 ASSI { 1746}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG13")
      5.000     3.100     1.000 peak  1746 weight  0.10000E+01 volume -0.64300E+00 ppm1      9.174 ppm2      0.717
 OR { 1746}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG23")
 OR { 1746}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG12")
 OR { 1746}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG11")
 OR { 1746}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 1724}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG  ")
      6.000     4.500     0.000 peak  1724 weight  0.10000E+01 volume -0.26500E+00 ppm1      9.181 ppm2      1.316
 ASSI { 1752}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD12")
      5.000     3.100     1.000 peak  1752 weight  0.10000E+01 volume -0.54700E+00 ppm1      9.174 ppm2      0.800
 OR { 1752}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 1752}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD11")
 ASSI { 6191}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "102 " and name "HA  ")
      6.000     4.500     0.000 peak  6191 weight  0.10000E+01 volume  0.22100E+00 ppm1      7.656 ppm2      4.003
 ASSI { 1238}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HB2 ")
      5.000     3.100     1.000 peak  1238 weight  0.10000E+01 volume -0.97800E+00 ppm1      8.277 ppm2      1.499
 ASSI { 1539}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG22")
      5.000     3.100     1.000 peak  1539 weight  0.10000E+01 volume -0.45400E+00 ppm1      7.820 ppm2      0.947
 OR { 1539}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 1539}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG21")
 ASSI { 6071}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB1 ")
      5.000     3.100     1.000 peak  6071 weight  0.10000E+01 volume -0.68200E+00 ppm1      8.607 ppm2      1.818
 ASSI { 6070}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB  ")
      2.800     1.000     1.000 peak  6070 weight  0.10000E+01 volume  0.14650E+01 ppm1      8.605 ppm2      1.813
 ASSI { 1681}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD21")
      5.000     3.100     1.000 peak  1681 weight  0.10000E+01 volume -0.39400E+00 ppm1      8.887 ppm2      0.716
 OR { 1681}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD22")
 OR { 1681}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 1641}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG  ")
      5.000     3.100     1.000 peak  1641 weight  0.10000E+01 volume -0.50400E+00 ppm1      8.887 ppm2      1.338
 ASSI { 5861}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB1 ")
      3.500     1.500     1.500 peak  5861 weight  0.10000E+01 volume  0.39000E+00 ppm1      8.614 ppm2      1.354
 ASSI { 5859}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB1 ")
      3.800     1.800     1.800 peak  5859 weight  0.10000E+01 volume  0.27500E+00 ppm1      8.614 ppm2      1.663
 ASSI { 2179}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
      6.000     4.500     0.000 peak  2179 weight  0.10000E+01 volume -0.23500E+00 ppm1      9.130 ppm2      1.236
 OR { 2179}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB3 ")
 OR { 2179}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB2 ")
 ASSI { 6126}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HB2 ")
      2.800     1.000     1.000 peak  6126 weight  0.10000E+01 volume  0.14600E+01 ppm1      7.513 ppm2      1.701
 ASSI { 5918}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD12")
      5.000     3.100     1.000 peak  5918 weight  0.10000E+01 volume -0.78000E+00 ppm1      7.951 ppm2      0.741
 OR { 5918}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD13")
 OR { 5918}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD11")
 ASSI { 3228}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HG  ")
      5.000     3.100     1.000 peak  3228 weight  0.10000E+01 volume -0.43300E+00 ppm1      8.174 ppm2      1.456
 ASSI { 6117}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HB1 ")
      2.800     1.000     1.000 peak  6117 weight  0.10000E+01 volume  0.17410E+01 ppm1      8.174 ppm2      1.490
 ASSI { 6170}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HB  ")
      5.000     3.100     1.000 peak  6170 weight  0.10000E+01 volume -0.10750E+01 ppm1      9.131 ppm2      4.611
 ASSI { 1197}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB1 ")
      5.000     3.100     1.000 peak  1197 weight  0.10000E+01 volume -0.57700E+00 ppm1      7.940 ppm2      2.126
 ASSI { 1200}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG1 ")
      5.000     3.100     1.000 peak  1200 weight  0.10000E+01 volume -0.30800E+00 ppm1      7.933 ppm2      2.004
 OR { 1200}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG2 ")
 ASSI { 5749}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HA  ")
      6.000     4.500     0.000 peak  5749 weight  0.10000E+01 volume  0.32500E+00 ppm1      9.144 ppm2      4.641
 ASSI { 5990}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     4.500     0.000 peak  5990 weight  0.10000E+01 volume  0.28620E+01 ppm1      8.108 ppm2      4.596
 ASSI { 5734}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     3.100     1.000 peak  5734 weight  0.10000E+01 volume -0.34200E+00 ppm1      9.333 ppm2      1.892
 ASSI { 5790}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD2 ")
      3.500     1.500     1.500 peak  5790 weight  0.10000E+01 volume  0.39600E+00 ppm1      8.994 ppm2      3.188
 OR { 5790}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD1 ")
 ASSI { 5796}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG2 ")
      5.000     3.100     1.000 peak  5796 weight  0.10000E+01 volume -0.67100E+00 ppm1      8.995 ppm2      1.310
 ASSI { 6039}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "81  " and name "HG1 ")
      6.000     4.500     0.000 peak  6039 weight  0.10000E+01 volume -0.29600E+00 ppm1      8.660 ppm2      1.908
 OR { 6039}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "81  " and name "HG2 ")
 ASSI { 6034}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD1 ")
      6.000     4.500     0.000 peak  6034 weight  0.10000E+01 volume -0.29700E+00 ppm1      8.661 ppm2      7.043
 OR { 6034}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD2 ")
 ASSI { 5784}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB3 ")
      6.000     4.500     0.000 peak  5784 weight  0.10000E+01 volume -0.25400E+00 ppm1      8.756 ppm2      1.433
 OR { 5784}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 5784}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 5783}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB  ")
      3.600     1.600     1.600 peak  5783 weight  0.10000E+01 volume  0.36500E+00 ppm1      8.756 ppm2      1.496
 ASSI { 5995}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HA  ")
      6.000     4.500     0.000 peak  5995 weight  0.10000E+01 volume  0.28820E+01 ppm1      8.092 ppm2      4.233
 ASSI { 2033}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "107 " and name "HB2 ")
      2.800     1.000     1.000 peak  2033 weight  0.10000E+01 volume  0.14930E+01 ppm1      8.234 ppm2      3.299
 ASSI { 2027}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "107 " and name "HB1 ")
      3.000     1.100     1.100 peak  2027 weight  0.10000E+01 volume  0.11150E+01 ppm1      8.238 ppm2      3.469
 ASSI { 6012}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG  ")
      5.000     3.100     1.000 peak  6012 weight  0.10000E+01 volume -0.61900E+00 ppm1      8.157 ppm2      1.283
 ASSI { 5835}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB  ")
      5.000     3.100     1.000 peak  5835 weight  0.10000E+01 volume -0.10330E+01 ppm1      8.971 ppm2      2.507
 ASSI { 5825}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      5.000     3.100     1.000 peak  5825 weight  0.10000E+01 volume -0.74000E+00 ppm1      9.000 ppm2      4.833
 ASSI { 5886}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     4.500     0.000 peak  5886 weight  0.10000E+01 volume  0.14540E+01 ppm1      9.144 ppm2      4.308
 ASSI { 6079}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG1 ")
      3.100     1.200     1.200 peak  6079 weight  0.10000E+01 volume  0.93200E+00 ppm1      9.362 ppm2      2.505
 ASSI { 6080}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG2 ")
      3.100     1.200     1.200 peak  6080 weight  0.10000E+01 volume  0.85200E+00 ppm1      9.362 ppm2      2.164
 ASSI { 5770}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG11")
      5.000     3.100     1.000 peak  5770 weight  0.10000E+01 volume -0.46700E+00 ppm1      9.118 ppm2      1.435
 ASSI { 2272}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
      5.000     3.100     1.000 peak  2272 weight  0.10000E+01 volume -0.32300E+00 ppm1      9.433 ppm2      2.182
 ASSI { 2271}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     4.500     0.000 peak  2271 weight  0.10000E+01 volume  0.37200E+00 ppm1      9.435 ppm2      4.890
 ASSI { 6108}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
      5.000     3.100     1.000 peak  6108 weight  0.10000E+01 volume -0.47300E+00 ppm1      9.063 ppm2      0.767
 OR { 6108}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 6108}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD22")
 ASSI { 6107}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD12")
      5.000     3.100     1.000 peak  6107 weight  0.10000E+01 volume -0.51000E+00 ppm1      9.058 ppm2      0.784
 OR { 6107}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD13")
 OR { 6107}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD11")
 ASSI { 5940}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB2 ")
      5.000     3.100     1.000 peak  5940 weight  0.10000E+01 volume -0.39000E+00 ppm1      9.275 ppm2      2.480
 ASSI { 6065}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG12")
      3.800     1.800     1.800 peak  6065 weight  0.10000E+01 volume  0.24300E+00 ppm1      7.520 ppm2      1.196
 ASSI { 1820}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB3 ")
      6.000     4.500     0.000 peak  1820 weight  0.10000E+01 volume  0.16240E+01 ppm1      7.607 ppm2      1.245
 OR { 1820}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 1820}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 2189}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB  ")
      5.000     3.100     1.000 peak  2189 weight  0.10000E+01 volume -0.34200E+00 ppm1      7.418 ppm2      2.137
 ASSI { 2201}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG21")
      6.000     4.500     0.000 peak  2201 weight  0.10000E+01 volume  0.24900E+00 ppm1      7.419 ppm2      0.762
 OR { 2201}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 2201}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG22")
 ASSI { 6050}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG22")
      6.000     4.500     0.000 peak  6050 weight  0.10000E+01 volume  0.20600E+00 ppm1      7.669 ppm2      0.803
 OR { 6050}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG23")
 ASSI { 6029}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      5.000     3.100     1.000 peak  6029 weight  0.10000E+01 volume -0.30100E+00 ppm1      8.880 ppm2      5.170
 ASSI { 5883}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
      3.000     1.100     1.100 peak  5883 weight  0.10000E+01 volume  0.10520E+01 ppm1      7.428 ppm2      1.317
 OR { 5883}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 5929}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD22")
      6.000     4.500     0.000 peak  5929 weight  0.10000E+01 volume -0.20400E+00 ppm1      8.662 ppm2      0.663
 OR { 5929}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD21")
 OR { 5929}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD23")
 ASSI { 2241}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
      3.200     1.300     1.300 peak  2241 weight  0.10000E+01 volume  0.71000E+00 ppm1      8.565 ppm2      1.933
 ASSI { 2236}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     4.500     0.000 peak  2236 weight  0.10000E+01 volume  0.14250E+01 ppm1      8.561 ppm2      4.917
 ASSI { 6097}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB2 ")
      5.000     3.100     1.000 peak  6097 weight  0.10000E+01 volume -0.61900E+00 ppm1      7.663 ppm2      2.107
 OR { 6097}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB1 ")
 ASSI { 2295}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      6.000     4.500     0.000 peak  2295 weight  0.10000E+01 volume  0.16300E+00 ppm1      8.410 ppm2      5.314
 ASSI { 1223}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HD1 ")
      5.000     3.100     1.000 peak  1223 weight  0.10000E+01 volume -0.10400E+01 ppm1      8.277 ppm2      1.614
 OR { 1223}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 3275}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HB1 ")
      5.000     3.100     1.000 peak  3275 weight  0.10000E+01 volume -0.18820E+01 ppm1      7.892 ppm2      1.829
 OR { 3275}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HB2 ")
 ASSI { 6068}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HA  ")
      6.000     4.500     0.000 peak  6068 weight  0.10000E+01 volume  0.73800E+00 ppm1      8.598 ppm2      4.750
 ASSI { 5807}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG22")
      6.000     4.500     0.000 peak  5807 weight  0.10000E+01 volume -0.22500E+00 ppm1      8.089 ppm2      0.843
 OR { 5807}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 5807}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 5863}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
      5.000     3.100     1.000 peak  5863 weight  0.10000E+01 volume -0.79400E+00 ppm1      8.613 ppm2      0.516
 OR { 5863}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
 OR { 5863}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 1680}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD12")
      5.000     3.100     1.000 peak  1680 weight  0.10000E+01 volume -0.32700E+00 ppm1      8.893 ppm2      0.807
 OR { 1680}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 1680}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD11")
 ASSI { 1629}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB1 ")
      3.100     1.200     1.200 peak  1629 weight  0.10000E+01 volume  0.90600E+00 ppm1      8.896 ppm2      1.355
 ASSI { 5855}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     4.500     0.000 peak  5855 weight  0.10000E+01 volume  0.23700E+00 ppm1      8.619 ppm2      4.835
 ASSI { 5913}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
      6.000     4.500     0.000 peak  5913 weight  0.10000E+01 volume -0.26800E+00 ppm1      7.951 ppm2      2.115
 ASSI { 3232}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "92  " and name "HG1 ")
      5.000     3.100     1.000 peak  3232 weight  0.10000E+01 volume -0.64100E+00 ppm1      8.174 ppm2      1.357
 OR { 3232}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "92  " and name "HG2 ")
 ASSI { 6111}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HA  ")
      6.000     4.500     0.000 peak  6111 weight  0.10000E+01 volume  0.13210E+01 ppm1      8.174 ppm2      4.350
 ASSI { 6113}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
      5.000     3.100     1.000 peak  6113 weight  0.10000E+01 volume -0.96400E+00 ppm1      8.174 ppm2      4.046
 ASSI { 5747}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "31  " and name "HE1 ")
      5.000     3.100     1.000 peak  5747 weight  0.10000E+01 volume -0.32500E+00 ppm1      9.144 ppm2      6.937
 ASSI { 5754}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
      5.000     3.100     1.000 peak  5754 weight  0.10000E+01 volume -0.35900E+00 ppm1      9.150 ppm2      0.971
 OR { 5754}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 5754}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
 ASSI { 2852}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
      5.000     3.100     1.000 peak  2852 weight  0.10000E+01 volume -0.54900E+00 ppm1      8.761 ppm2      7.223
 ASSI { 5973}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB  ")
      5.000     3.100     1.000 peak  5973 weight  0.10000E+01 volume -0.39000E+00 ppm1      8.777 ppm2      2.248
 ASSI { 5819}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
      5.000     3.100     1.000 peak  5819 weight  0.10000E+01 volume -0.53500E+00 ppm1      9.179 ppm2      4.641
 ASSI { 5827}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      3.300     1.400     1.400 peak  5827 weight  0.10000E+01 volume -0.37030E+01 ppm1      8.993 ppm2      4.506
 ASSI { 6153}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD21")
      5.000     3.100     1.000 peak  6153 weight  0.10000E+01 volume -0.75900E+00 ppm1      9.293 ppm2      0.718
 OR { 6153}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD22")
 OR { 6153}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 6146}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     4.500     0.000 peak  6146 weight  0.10000E+01 volume  0.52100E+00 ppm1      9.293 ppm2      5.289
 ASSI { 4043}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD23")
      5.000     3.100     1.000 peak  4043 weight  0.10000E+01 volume -0.70900E+00 ppm1      9.750 ppm2      0.787
 OR { 4043}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 4043}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 6077}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HA  ")
      6.000     4.500     0.000 peak  6077 weight  0.10000E+01 volume  0.51830E+01 ppm1      9.362 ppm2      4.751
 ASSI { 3456}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HB2 ")
      3.500     1.500     1.500 peak  3456 weight  0.10000E+01 volume  0.39100E+00 ppm1      8.497 ppm2      1.725
 ASSI { 1167}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "107 " and name "HB2 ")
      5.000     3.100     1.000 peak  1167 weight  0.10000E+01 volume -0.70500E+00 ppm1      8.708 ppm2      3.308
 ASSI { 1164}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "107 " and name "HB1 ")
      5.000     3.100     1.000 peak  1164 weight  0.10000E+01 volume -0.49300E+00 ppm1      8.708 ppm2      3.475
 ASSI { 4056}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      5.000     3.100     1.000 peak  4056 weight  0.10000E+01 volume -0.38200E+00 ppm1      7.416 ppm2      5.339
 ASSI { 2192}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
      6.000     4.500     0.000 peak  2192 weight  0.10000E+01 volume  0.10010E+01 ppm1      7.419 ppm2      1.397
 OR { 2192}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 1884}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG2 ")
      5.000     3.100     1.000 peak  1884 weight  0.10000E+01 volume -0.47200E+00 ppm1      7.837 ppm2      2.473
 OR { 1884}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG1 ")
 ASSI { 2239}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB1 ")
      5.000     3.100     1.000 peak  2239 weight  0.10000E+01 volume -0.18990E+01 ppm1      8.569 ppm2      3.804
 OR { 2239}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB2 ")
 ASSI { 5417}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB1 ")
      2.600     0.800     0.800 peak  5417 weight  0.10000E+01 volume  0.24450E+01 ppm1      8.302 ppm2      2.235
 OR { 5417}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG1 ")
 ASSI { 6025}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "79  " and name "HB2 ")
      3.800     1.800     1.800 peak  6025 weight  0.10000E+01 volume  0.27100E+00 ppm1      8.510 ppm2      2.017
 ASSI { 1582}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HB2 ")
      3.400     1.400     1.400 peak  1582 weight  0.10000E+01 volume  0.50400E+00 ppm1      9.369 ppm2      1.578
 ASSI { 1758}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD21")
      5.000     3.100     1.000 peak  1758 weight  0.10000E+01 volume -0.10160E+01 ppm1      9.174 ppm2      0.720
 OR { 1758}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD22")
 OR { 1758}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 1713}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
      5.000     3.100     1.000 peak  1713 weight  0.10000E+01 volume -0.36800E+00 ppm1      9.173 ppm2      1.598
 ASSI { 1237}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG2 ")
      5.000     3.100     1.000 peak  1237 weight  0.10000E+01 volume -0.90000E+00 ppm1      8.285 ppm2      1.324
 ASSI { 1241}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     3.100     1.000 peak  1241 weight  0.10000E+01 volume -0.76300E+00 ppm1      8.277 ppm2      1.392
 ASSI { 1504}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
      6.000     4.500     0.000 peak  1504 weight  0.10000E+01 volume  0.79200E+00 ppm1      7.821 ppm2      4.284
 ASSI { 1532}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HB2 ")
      3.300     1.400     1.400 peak  1532 weight  0.10000E+01 volume  0.61100E+00 ppm1      7.824 ppm2      1.559
 ASSI { 5806}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     4.500     0.000 peak  5806 weight  0.10000E+01 volume  0.60600E+00 ppm1      8.083 ppm2      3.224
 ASSI { 2906}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA2 ")
      6.000     4.500     0.000 peak  2906 weight  0.10000E+01 volume  0.87000E+00 ppm1      8.091 ppm2      3.512
 ASSI { 1479}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HA  ")
      6.000     4.500     0.000 peak  1479 weight  0.10000E+01 volume  0.46400E+00 ppm1      9.275 ppm2      4.702
 ASSI { 5860}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
      3.800     1.800     1.800 peak  5860 weight  0.10000E+01 volume  0.26900E+00 ppm1      8.611 ppm2      1.533
 ASSI { 5919}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD21")
      5.000     3.100     1.000 peak  5919 weight  0.10000E+01 volume -0.69200E+00 ppm1      7.951 ppm2      0.675
 OR { 5919}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD22")
 OR { 5919}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD23")
 ASSI { 6116}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "92  " and name "HB2 ")
      3.000     1.100     1.100 peak  6116 weight  0.10000E+01 volume  0.98500E+00 ppm1      8.172 ppm2      1.580
 ASSI { 5746}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD2 ")
      6.000     4.500     0.000 peak  5746 weight  0.10000E+01 volume -0.26600E+00 ppm1      9.148 ppm2      7.360
 OR { 5746}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 5755}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD21")
      5.000     3.100     1.000 peak  5755 weight  0.10000E+01 volume -0.30400E+00 ppm1      9.144 ppm2      0.868
 OR { 5755}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD22")
 OR { 5755}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD23")
 ASSI { 5994}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD13")
      5.000     3.100     1.000 peak  5994 weight  0.10000E+01 volume -0.40700E+00 ppm1      8.108 ppm2      0.787
 OR { 5994}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 5994}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD12")
 ASSI { 6037}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
      5.000     3.100     1.000 peak  6037 weight  0.10000E+01 volume -0.10700E+01 ppm1      8.664 ppm2      2.881
 ASSI { 6131}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      6.000     4.500     0.000 peak  6131 weight  0.10000E+01 volume  0.48900E+00 ppm1      8.548 ppm2      4.509
 ASSI { 5779}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     3.100     1.000 peak  5779 weight  0.10000E+01 volume -0.12920E+01 ppm1      8.756 ppm2      2.878
 ASSI { 2907}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB  ")
      3.300     1.400     1.400 peak  2907 weight  0.10000E+01 volume -0.20080E+01 ppm1      8.386 ppm2      1.891
 ASSI { 5697}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB2 ")
      2.900     1.100     1.100 peak  5697 weight  0.10000E+01 volume  0.13410E+01 ppm1      9.145 ppm2      2.618
 OR { 5697}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB1 ")
 ASSI { 6018}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB2 ")
      5.000     3.100     1.000 peak  6018 weight  0.10000E+01 volume -0.90500E+00 ppm1      8.805 ppm2      1.320
 OR { 6018}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB1 ")
 ASSI { 5972}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG2 ")
      3.100     1.200     1.200 peak  5972 weight  0.10000E+01 volume  0.87300E+00 ppm1      8.778 ppm2      2.354
 OR { 5972}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG1 ")
 ASSI { 5888}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA2 ")
      6.000     4.500     0.000 peak  5888 weight  0.10000E+01 volume  0.99500E+00 ppm1      9.144 ppm2      3.844
 ASSI { 5768}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
      5.000     3.100     1.000 peak  5768 weight  0.10000E+01 volume -0.62700E+00 ppm1      9.119 ppm2      4.395
 ASSI { 3609}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "107 " and name "HB1 ")
      3.100     1.200     1.200 peak  3609 weight  0.10000E+01 volume  0.93100E+00 ppm1      8.478 ppm2      3.472
 ASSI { 6195}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "107 " and name "HB2 ")
      3.100     1.200     1.200 peak  6195 weight  0.10000E+01 volume  0.84100E+00 ppm1      8.477 ppm2      3.311
 ASSI { 3434}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HG  ")
      5.000     3.100     1.000 peak  3434 weight  0.10000E+01 volume -0.66700E+00 ppm1      9.059 ppm2      1.456
 ASSI { 5899}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
      6.000     4.500     0.000 peak  5899 weight  0.10000E+01 volume -0.24500E+00 ppm1      7.737 ppm2      4.293
 ASSI { 5725}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB3 ")
      6.000     4.500     0.000 peak  5725 weight  0.10000E+01 volume  0.16910E+01 ppm1      7.414 ppm2      1.317
 OR { 5725}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB2 ")
 OR { 5725}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 5712}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     4.500     0.000 peak  5712 weight  0.10000E+01 volume  0.15960E+01 ppm1      7.417 ppm2      7.339
 OR { 5712}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 2202}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
      6.000     4.500     0.000 peak  2202 weight  0.10000E+01 volume  0.48700E+00 ppm1      7.626 ppm2      0.511
 OR { 2202}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 2202}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 6020}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD23")
      6.000     4.500     0.000 peak  6020 weight  0.10000E+01 volume  0.47400E+00 ppm1      8.805 ppm2      0.903
 OR { 6020}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD21")
 ASSI { 6067}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG22")
      6.000     4.500     0.000 peak  6067 weight  0.10000E+01 volume  0.48300E+00 ppm1      7.516 ppm2      0.794
 OR { 6067}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 6067}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG21")
 ASSI { 6061}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "83  " and name "HA  ")
      5.000     3.100     1.000 peak  6061 weight  0.10000E+01 volume -0.60900E+00 ppm1      7.518 ppm2      4.028
 ASSI { 1791}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HA  ")
      5.000     3.100     1.000 peak  1791 weight  0.10000E+01 volume -0.91900E+00 ppm1      7.601 ppm2      4.663
 ASSI { 5942}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD13")
      6.000     4.500     0.000 peak  5942 weight  0.10000E+01 volume  0.21400E+00 ppm1      9.419 ppm2      0.517
 OR { 5942}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD11")
 OR { 5942}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD12")
 ASSI { 5949}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA1 ")
      5.000     3.100     1.000 peak  5949 weight  0.10000E+01 volume -0.76800E+00 ppm1      9.422 ppm2      4.644
 ASSI { 5948}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA2 ")
      6.000     4.500     0.000 peak  5948 weight  0.10000E+01 volume -0.29200E+00 ppm1      9.423 ppm2      4.714
 ASSI { 5945}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE2 ")
      6.000     4.500     0.000 peak  5945 weight  0.10000E+01 volume  0.40900E+00 ppm1      9.423 ppm2      6.968
 ASSI { 3197}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HA  ")
      3.300     1.400     1.400 peak  3197 weight  0.10000E+01 volume -0.30900E+01 ppm1      8.475 ppm2      4.421
 ASSI { 1171}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HG1 ")
      3.300     1.400     1.400 peak  1171 weight  0.10000E+01 volume  0.59700E+00 ppm1      8.708 ppm2      2.640
 OR { 1171}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 5849}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB1 ")
      3.600     1.600     1.600 peak  5849 weight  0.10000E+01 volume  0.35000E+00 ppm1      8.578 ppm2      3.965
 ASSI { 6167}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HG2 ")
      3.000     1.100     1.100 peak  6167 weight  0.10000E+01 volume  0.10680E+01 ppm1      7.861 ppm2      1.616
 OR { 6167}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HG1 ")
 ASSI { 6163}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HA  ")
      3.300     1.400     1.400 peak  6163 weight  0.10000E+01 volume -0.27830E+01 ppm1      7.863 ppm2      4.597
 ASSI { 5954}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HA  ")
      5.000     3.100     1.000 peak  5954 weight  0.10000E+01 volume -0.50600E+00 ppm1      9.080 ppm2      5.220
 ASSI { 2186}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     3.100     1.000 peak  2186 weight  0.10000E+01 volume -0.68600E+00 ppm1      7.424 ppm2      3.251
 ASSI { 2191}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
      5.000     3.100     1.000 peak  2191 weight  0.10000E+01 volume -0.60700E+00 ppm1      7.428 ppm2      1.620
 OR { 2191}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 ASSI { 6045}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB1 ")
      2.600     0.800     0.800 peak  6045 weight  0.10000E+01 volume  0.24230E+01 ppm1      7.669 ppm2      3.705
 ASSI { 1909}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG2 ")
      5.000     3.100     1.000 peak  1909 weight  0.10000E+01 volume -0.18830E+01 ppm1      7.834 ppm2      2.342
 OR { 1909}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG1 ")
 ASSI { 1856}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     3.100     1.000 peak  1856 weight  0.10000E+01 volume -0.30000E+00 ppm1      7.838 ppm2      4.706
 ASSI { 1875}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     4.500     0.000 peak  1875 weight  0.10000E+01 volume -0.17900E+00 ppm1      7.845 ppm2      4.664
 ASSI { 1979}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HA  ")
      5.000     3.100     1.000 peak  1979 weight  0.10000E+01 volume -0.13370E+01 ppm1      8.729 ppm2      4.749
 ASSI { 5882}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
      5.000     3.100     1.000 peak  5882 weight  0.10000E+01 volume -0.44100E+00 ppm1      7.428 ppm2      1.466
 ASSI { 5737}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     4.500     0.000 peak  5737 weight  0.10000E+01 volume  0.14390E+01 ppm1      8.444 ppm2      7.353
 OR { 5737}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 5877}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HA  ")
      5.000     3.100     1.000 peak  5877 weight  0.10000E+01 volume -0.93300E+00 ppm1      7.434 ppm2      4.736
 ASSI { 5739}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "36  " and name "HA  ")
      5.000     3.100     1.000 peak  5739 weight  0.10000E+01 volume -0.31500E+00 ppm1      8.439 ppm2      4.753
 ASSI { 5355}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     4.500     0.000 peak  5355 weight  0.10000E+01 volume  0.23100E+00 ppm1      8.301 ppm2      3.230
 ASSI { 1588}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB1 ")
      3.900     1.900     1.900 peak  1588 weight  0.10000E+01 volume  0.23400E+00 ppm1      9.368 ppm2      1.531
 OR { 1588}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 5762}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG23")
      5.000     3.100     1.000 peak  5762 weight  0.10000E+01 volume -0.97500E+00 ppm1      7.819 ppm2      1.224
 OR { 5762}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG22")
 OR { 5762}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG21")
 ASSI { 5763}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD13")
      5.000     3.100     1.000 peak  5763 weight  0.10000E+01 volume -0.56400E+00 ppm1      7.820 ppm2      0.983
 OR { 5763}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
 OR { 5763}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
 ASSI { 5759}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
      3.700     1.700     1.700 peak  5759 weight  0.10000E+01 volume  0.30800E+00 ppm1      7.819 ppm2      1.652
 ASSI { 1701}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
      3.800     1.800     1.800 peak  1701 weight  0.10000E+01 volume  0.26700E+00 ppm1      9.180 ppm2      4.089
 ASSI { 1849}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG1 ")
      2.900     1.100     1.100 peak  1849 weight  0.10000E+01 volume  0.13380E+01 ppm1      8.999 ppm2      2.464
 OR { 1849}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG2 ")
 ASSI { 1717}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
      3.500     1.500     1.500 peak  1717 weight  0.10000E+01 volume  0.38600E+00 ppm1      9.174 ppm2      1.508
 ASSI { 6187}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HB1 ")
      5.000     3.100     1.000 peak  6187 weight  0.10000E+01 volume -0.74400E+00 ppm1      7.449 ppm2      3.087
 ASSI { 2329}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG22")
      5.000     3.100     1.000 peak  2329 weight  0.10000E+01 volume -0.72000E+00 ppm1      8.410 ppm2      0.838
 OR { 2329}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 2329}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 1224}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG1 ")
      5.000     3.100     1.000 peak  1224 weight  0.10000E+01 volume -0.99700E+00 ppm1      8.277 ppm2      1.596
 ASSI { 6072}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB2 ")
      5.000     3.100     1.000 peak  6072 weight  0.10000E+01 volume -0.50900E+00 ppm1      8.600 ppm2      1.625
 ASSI { 2897}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA1 ")
      6.000     4.500     0.000 peak  2897 weight  0.10000E+01 volume  0.68400E+00 ppm1      8.083 ppm2      4.405
 ASSI { 1630}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
      3.300     1.400     1.400 peak  1630 weight  0.10000E+01 volume  0.60500E+00 ppm1      8.887 ppm2      1.561
 ASSI { 1626}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB2 ")
      3.100     1.200     1.200 peak  1626 weight  0.10000E+01 volume  0.95400E+00 ppm1      8.894 ppm2      1.519
 ASSI { 2083}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
      6.000     4.500     0.000 peak  2083 weight  0.10000E+01 volume -0.27800E+00 ppm1      8.166 ppm2      3.537
 ASSI { 2055}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     4.500     0.000 peak  2055 weight  0.10000E+01 volume  0.15100E+00 ppm1      8.167 ppm2      4.724
 ASSI { 2183}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
      5.000     3.100     1.000 peak  2183 weight  0.10000E+01 volume -0.41400E+00 ppm1      9.137 ppm2      0.505
 OR { 2183}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 OR { 2183}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 6121}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      6.000     4.500     0.000 peak  6121 weight  0.10000E+01 volume  0.11310E+01 ppm1      7.513 ppm2      4.504
 ASSI { 6125}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HB1 ")
      2.900     1.100     1.100 peak  6125 weight  0.10000E+01 volume  0.13300E+01 ppm1      7.511 ppm2      1.844
 ASSI { 6122}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HA  ")
      6.000     4.500     0.000 peak  6122 weight  0.10000E+01 volume  0.13600E+01 ppm1      7.507 ppm2      4.534
 ASSI { 5968}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD22")
      6.000     4.500     0.000 peak  5968 weight  0.10000E+01 volume -0.26600E+00 ppm1      8.971 ppm2      0.896
 OR { 5968}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD23")
 ASSI { 5966}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG22")
      5.000     3.100     1.000 peak  5966 weight  0.10000E+01 volume -0.18500E+01 ppm1      8.968 ppm2      1.023
 OR { 5966}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 5966}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 ASSI { 5967}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
      5.000     3.100     1.000 peak  5967 weight  0.10000E+01 volume -0.43000E+00 ppm1      8.968 ppm2      0.969
 OR { 5967}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD13")
 OR { 5967}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
 ASSI { 5931}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD1 ")
      5.000     3.100     1.000 peak  5931 weight  0.10000E+01 volume -0.36900E+00 ppm1      8.770 ppm2      7.025
 OR { 5931}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD2 ")
 ASSI { 6119}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
      5.000     3.100     1.000 peak  6119 weight  0.10000E+01 volume -0.41200E+00 ppm1      8.174 ppm2      0.761
 OR { 6119}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 6119}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 6112}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
      5.000     3.100     1.000 peak  6112 weight  0.10000E+01 volume -0.10370E+01 ppm1      8.174 ppm2      4.332
 ASSI { 6114}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "90  " and name "HB  ")
      5.000     3.100     1.000 peak  6114 weight  0.10000E+01 volume -0.44700E+00 ppm1      8.168 ppm2      4.034
 ASSI { 1194}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "106 " and name "HA  ")
      6.000     4.500     0.000 peak  1194 weight  0.10000E+01 volume  0.93700E+00 ppm1      7.934 ppm2      4.497
 ASSI { 1177}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "106 " and name "HD2 ")
      5.000     3.100     1.000 peak  1177 weight  0.10000E+01 volume -0.32700E+00 ppm1      7.933 ppm2      6.786
 ASSI { 5751}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
      3.500     1.500     1.500 peak  5751 weight  0.10000E+01 volume  0.42900E+00 ppm1      9.144 ppm2      1.653
 ASSI { 5727}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "36  " and name "HA  ")
      6.000     4.500     0.000 peak  5727 weight  0.10000E+01 volume  0.42100E+00 ppm1      9.337 ppm2      4.737
 ASSI { 5792}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     3.100     1.000 peak  5792 weight  0.10000E+01 volume -0.87400E+00 ppm1      8.994 ppm2      3.193
 ASSI { 5726}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD1 ")
      5.000     3.100     1.000 peak  5726 weight  0.10000E+01 volume -0.59800E+00 ppm1      9.333 ppm2      7.364
 OR { 5726}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 5717}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     3.100     1.000 peak  5717 weight  0.10000E+01 volume -0.30400E+00 ppm1      7.409 ppm2      3.768
 ASSI { 3430}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HB  ")
      3.300     1.400     1.400 peak  3430 weight  0.10000E+01 volume -0.39880E+01 ppm1      9.006 ppm2      4.015
 ASSI { 6134}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HB1 ")
      3.300     1.400     1.400 peak  6134 weight  0.10000E+01 volume  0.60800E+00 ppm1      8.544 ppm2      1.833
 ASSI { 3428}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
      5.000     3.100     1.000 peak  3428 weight  0.10000E+01 volume -0.11200E+01 ppm1      9.006 ppm2      4.058
 ASSI { 3490}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD22")
      6.000     4.500     0.000 peak  3490 weight  0.10000E+01 volume -0.28400E+00 ppm1      8.545 ppm2      0.719
 OR { 3490}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD21")
 OR { 3490}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 1781}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
      5.000     3.100     1.000 peak  1781 weight  0.10000E+01 volume -0.33900E+00 ppm1     10.342 ppm2      0.533
 OR { 1781}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 1781}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
 ASSI { 5701}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD11")
      6.000     4.500     0.000 peak  5701 weight  0.10000E+01 volume -0.18500E+00 ppm1      9.145 ppm2      0.666
 OR { 5701}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD12")
 OR { 5701}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD13")
 ASSI { 2694}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG23")
      6.000     4.500     0.000 peak  2694 weight  0.10000E+01 volume -0.27000E+00 ppm1      9.144 ppm2      0.702
 OR { 2694}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 2694}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG21")
 ASSI { 5698}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
      3.300     1.400     1.400 peak  5698 weight  0.10000E+01 volume  0.63300E+00 ppm1      9.148 ppm2      2.611
 ASSI { 5970}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA  ")
      6.000     4.500     0.000 peak  5970 weight  0.10000E+01 volume  0.57100E+00 ppm1      8.779 ppm2      4.553
 ASSI { 5969}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
      5.000     3.100     1.000 peak  5969 weight  0.10000E+01 volume -0.17820E+01 ppm1      8.780 ppm2      4.648
 ASSI { 5951}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB2 ")
      5.000     3.100     1.000 peak  5951 weight  0.10000E+01 volume -0.34500E+00 ppm1      9.421 ppm2      1.320
 OR { 5951}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB1 ")
 ASSI { 2337}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     4.500     0.000 peak  2337 weight  0.10000E+01 volume  0.65100E+00 ppm1      8.816 ppm2      4.558
 ASSI { 2346}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      5.000     3.100     1.000 peak  2346 weight  0.10000E+01 volume -0.38500E+00 ppm1      8.810 ppm2      4.520
 ASSI { 5769}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB  ")
      6.000     4.500     0.000 peak  5769 weight  0.10000E+01 volume -0.25100E+00 ppm1      9.111 ppm2      4.056
 ASSI { 5774}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG23")
      5.000     3.100     1.000 peak  5774 weight  0.10000E+01 volume -0.44700E+00 ppm1      9.121 ppm2      0.692
 OR { 5774}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 5774}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG21")
 ASSI { 7581}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HZ2 ")
      3.300     1.400     1.400 peak  7581 weight  0.10000E+01 volume -0.28090E+01 ppm1      9.737 ppm2      7.552
 ASSI { 7582}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD1 ")
      3.300     1.400     1.400 peak  7582 weight  0.10000E+01 volume -0.34170E+01 ppm1      9.736 ppm2      7.554
 ASSI { 7587}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "82  " and name "HB1 ")
      6.000     4.500     0.000 peak  7587 weight  0.10000E+01 volume -0.26200E+00 ppm1      9.741 ppm2      1.400
 ASSI { 5711}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG22")
      5.000     3.100     1.000 peak  5711 weight  0.10000E+01 volume -0.12180E+01 ppm1      7.862 ppm2      1.222
 OR { 5711}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG21")
 OR { 5711}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG23")
 ASSI { 6142}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "97  " and name "HB2 ")
      2.600     0.800     0.800 peak  6142 weight  0.10000E+01 volume  0.24800E+01 ppm1      8.367 ppm2      2.358
 ASSI { 3417}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HB1 ")
      3.000     1.100     1.100 peak  3417 weight  0.10000E+01 volume  0.10630E+01 ppm1      9.069 ppm2      1.484
 OR { 3417}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HB2 ")
 ASSI { 6104}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "90  " and name "HB  ")
      5.000     3.100     1.000 peak  6104 weight  0.10000E+01 volume -0.91500E+00 ppm1      9.060 ppm2      4.021
 ASSI { 3127}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "51  " and name "HN  ")
      2.900     1.100     1.100 peak  3127 weight  0.10000E+01 volume  0.66700E+00 ppm1      9.276 ppm2      8.581
 ASSI { 2601}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
      3.800     1.800     1.800 peak  2601 weight  0.10000E+01 volume  0.14600E+00 ppm1      7.624 ppm2      8.556
 ASSI { 2598}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG21")
      3.600     1.600     1.600 peak  2598 weight  0.10000E+01 volume  0.37500E+00 ppm1      7.615 ppm2      1.118
 OR { 2598}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG23")
 OR { 2598}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG22")
 ASSI { 2589}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
      3.100     1.200     1.200 peak  2589 weight  0.10000E+01 volume  0.10320E+01 ppm1      7.617 ppm2      0.774
 OR { 2589}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 2589}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 ASSI { 3295}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB2 ")
      2.800     1.000     1.000 peak  3295 weight  0.10000E+01 volume  0.12900E+01 ppm1      8.801 ppm2      1.298
 OR { 3295}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB1 ")
 OR { 3295}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG  ")
 ASSI { 3309}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "80  " and name "HD2 ")
      4.800     2.900     1.200 peak  3309 weight  0.10000E+01 volume  0.11100E+00 ppm1      8.801 ppm2      6.917
 OR { 3309}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE2 ")
 ASSI { 3373}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HB  ")
      3.500     1.500     1.500 peak  3373 weight  0.10000E+01 volume  0.35700E+00 ppm1      7.514 ppm2      2.139
 ASSI { 3369}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HB  ")
      3.200     1.300     1.300 peak  3369 weight  0.10000E+01 volume  0.55900E+00 ppm1      7.512 ppm2      1.821
 ASSI { 3672}
     (segid "    " and resid "89  " and name "HE22")
     (segid "    " and resid "92  " and name "HN  ")
      3.800     1.800     1.800 peak  3672 weight  0.10000E+01 volume  0.14600E+00 ppm1      6.746 ppm2      8.105
 ASSI {  710}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "91  " and name "HD12")
      3.500     1.500     1.500 peak   710 weight  0.10000E+01 volume  0.43000E+00 ppm1      7.412 ppm2      0.781
 OR {  710}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "91  " and name "HD11")
 OR {  710}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 2508}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      3.300     1.400     1.400 peak  2508 weight  0.10000E+01 volume  0.38200E+00 ppm1      7.602 ppm2      4.518
 ASSI { 3674}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HG1 ")
      4.100     2.100     1.900 peak  3674 weight  0.10000E+01 volume  0.16300E+00 ppm1      6.746 ppm2      1.836
 OR { 3674}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI {  707}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "89  " and name "HG1 ")
      3.100     1.200     1.200 peak   707 weight  0.10000E+01 volume  0.67300E+00 ppm1      7.413 ppm2      2.169
 OR {  707}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "89  " and name "HG2 ")
 ASSI { 2502}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB2 ")
      2.700     0.900     0.900 peak  2502 weight  0.10000E+01 volume  0.14520E+01 ppm1      7.600 ppm2      3.368
 ASSI { 3650}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG23")
      4.000     2.000     2.000 peak  3650 weight  0.10000E+01 volume  0.19600E+00 ppm1      7.551 ppm2      0.665
 OR { 3650}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 3650}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG21")
 OR { 3650}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 3646}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "105 " and name "HD1 ")
      4.400     2.400     1.600 peak  3646 weight  0.10000E+01 volume  0.20500E+00 ppm1      7.547 ppm2      7.047
 OR { 3646}
     (segid "    " and resid "37  " and name "HE  ")
     (segid "    " and resid "105 " and name "HD2 ")
 ASSI { 3629}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "29  " and name "HG1 ")
      2.800     1.000     1.000 peak  3629 weight  0.10000E+01 volume  0.13790E+01 ppm1      7.549 ppm2      2.229
 OR { 3629}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 3195}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG22")
      4.000     2.000     2.000 peak  3195 weight  0.10000E+01 volume  0.20400E+00 ppm1      8.473 ppm2      1.037
 OR { 3195}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG23")
 OR { 3195}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 3195}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG13")
 ASSI { 2265}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HA2 ")
      2.400     0.700     0.700 peak  2265 weight  0.10000E+01 volume  0.24450E+01 ppm1      8.708 ppm2      3.499
 ASSI { 2354}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "108 " and name "HA  ")
      3.400     1.400     1.400 peak  2354 weight  0.10000E+01 volume  0.29400E+00 ppm1      8.704 ppm2      4.237
 ASSI { 3652}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "84  " and name "HG23")
      3.800     1.800     1.800 peak  3652 weight  0.10000E+01 volume  0.28700E+00 ppm1      7.546 ppm2      0.713
 OR { 3652}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "84  " and name "HG21")
 OR { 3652}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "84  " and name "HG22")
 ASSI { 2417}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HB1 ")
      3.300     1.400     1.400 peak  2417 weight  0.10000E+01 volume  0.45300E+00 ppm1      6.572 ppm2      1.049
 ASSI { 3346}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG22")
      3.700     1.700     1.700 peak  3346 weight  0.10000E+01 volume  0.31700E+00 ppm1      7.668 ppm2      0.702
 OR { 3346}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG23")
 OR { 3346}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG21")
 ASSI { 3020}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD11")
      3.000     1.100     1.100 peak  3020 weight  0.10000E+01 volume  0.10290E+01 ppm1      7.419 ppm2      0.896
 OR { 3020}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD13")
 OR { 3020}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 2777}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB2 ")
      2.900     1.100     1.100 peak  2777 weight  0.10000E+01 volume  0.95100E+00 ppm1      8.435 ppm2      3.123
 ASSI { 3107}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA1 ")
      3.600     1.600     1.600 peak  3107 weight  0.10000E+01 volume  0.20100E+00 ppm1      8.665 ppm2      4.639
 ASSI { 2581}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HG  ")
      3.100     1.200     1.200 peak  2581 weight  0.10000E+01 volume  0.64300E+00 ppm1      8.560 ppm2      1.450
 ASSI { 2574}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "78  " and name "HA2 ")
      2.400     0.700     0.700 peak  2574 weight  0.10000E+01 volume  0.26160E+01 ppm1      8.561 ppm2      3.802
 ASSI { 2447}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG23")
      3.000     1.100     1.100 peak  2447 weight  0.10000E+01 volume  0.10690E+01 ppm1      9.368 ppm2      0.929
 OR { 2447}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG22")
 OR { 2447}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "100 " and name "HG21")
 ASSI { 3406}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "88  " and name "HA  ")
      2.700     0.900     0.900 peak  3406 weight  0.10000E+01 volume  0.11040E+01 ppm1      7.657 ppm2      4.938
 ASSI { 2997}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA  ")
      3.900     1.900     1.900 peak  2997 weight  0.10000E+01 volume  0.13800E+00 ppm1      8.595 ppm2      4.254
 ASSI { 2999}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG21")
      3.700     1.700     1.700 peak  2999 weight  0.10000E+01 volume  0.31300E+00 ppm1      8.615 ppm2      0.904
 OR { 2999}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG22")
 OR { 2999}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG23")
 ASSI { 2983}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
      2.900     1.100     1.100 peak  2983 weight  0.10000E+01 volume  0.10860E+01 ppm1      8.614 ppm2      1.371
 ASSI { 2559}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB3 ")
      3.600     1.600     1.600 peak  2559 weight  0.10000E+01 volume  0.40200E+00 ppm1      8.166 ppm2      1.245
 OR { 2559}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB2 ")
 OR { 2559}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
 ASSI { 3478}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "93  " and name "HA  ")
      3.800     1.800     1.800 peak  3478 weight  0.10000E+01 volume  0.16000E+00 ppm1      7.501 ppm2      4.181
 ASSI { 2567}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
      3.300     1.400     1.400 peak  2567 weight  0.10000E+01 volume  0.62700E+00 ppm1      9.132 ppm2      0.774
 OR { 2567}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 2567}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 3089}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD2 ")
      4.100     2.100     1.900 peak  3089 weight  0.10000E+01 volume  0.27100E+00 ppm1      7.946 ppm2      7.006
 OR { 3089}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD1 ")
 ASSI { 3252}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB1 ")
      4.000     2.000     2.000 peak  3252 weight  0.10000E+01 volume  0.14300E+00 ppm1      8.145 ppm2      2.647
 OR { 3252}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 2392}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA2 ")
      3.800     1.800     1.800 peak  2392 weight  0.10000E+01 volume  0.17900E+00 ppm1      7.930 ppm2      3.474
 ASSI { 2391}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HG1 ")
      3.500     1.500     1.500 peak  2391 weight  0.10000E+01 volume  0.30400E+00 ppm1      7.936 ppm2      2.723
 ASSI { 2793}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
      3.000     1.100     1.100 peak  2793 weight  0.10000E+01 volume  0.86700E+00 ppm1      9.142 ppm2      3.764
 ASSI { 2802}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "80  " and name "HB1 ")
      4.200     2.200     1.800 peak  2802 weight  0.10000E+01 volume  0.11300E+00 ppm1      9.142 ppm2      3.460
 ASSI { 3268}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB1 ")
      4.100     2.100     1.900 peak  3268 weight  0.10000E+01 volume  0.17400E+00 ppm1      8.105 ppm2      1.270
 OR { 3268}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB3 ")
 OR { 3268}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 2765}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "4   " and name "HE3 ")
      3.600     1.600     1.600 peak  2765 weight  0.10000E+01 volume  0.31400E+00 ppm1      9.328 ppm2      2.114
 OR { 2765}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2765}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "4   " and name "HE2 ")
 ASSI { 3324}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB1 ")
      2.800     1.000     1.000 peak  3324 weight  0.10000E+01 volume  0.13200E+01 ppm1      8.658 ppm2      1.397
 ASSI { 3278}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      4.000     2.000     2.000 peak  3278 weight  0.10000E+01 volume  0.11700E+00 ppm1      8.091 ppm2      4.410
 ASSI { 3606}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HN  ")
      3.600     1.600     1.600 peak  3606 weight  0.10000E+01 volume  0.20300E+00 ppm1      8.234 ppm2      7.942
 ASSI { 2375}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG12")
      3.900     1.900     1.900 peak  2375 weight  0.10000E+01 volume  0.22200E+00 ppm1      9.173 ppm2      0.678
 OR { 2375}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG13")
 OR { 2375}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG11")
 ASSI { 2918}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG12")
      2.800     1.000     1.000 peak  2918 weight  0.10000E+01 volume  0.19460E+01 ppm1      8.995 ppm2      0.691
 OR { 2918}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG11")
 OR { 2918}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG13")
 ASSI { 2821}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG1 ")
      2.600     0.800     0.800 peak  2821 weight  0.10000E+01 volume  0.18470E+01 ppm1      9.144 ppm2      1.719
 OR { 2821}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG2 ")
 ASSI { 2719}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG22")
      4.000     2.000     2.000 peak  2719 weight  0.10000E+01 volume  0.19400E+00 ppm1      7.980 ppm2      1.245
 OR { 2719}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG23")
 OR { 2719}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG21")
 ASSI { 2947}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
      3.800     1.800     1.800 peak  2947 weight  0.10000E+01 volume  0.26700E+00 ppm1      9.845 ppm2      0.508
 OR { 2947}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 OR { 2947}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 2651}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      4.000     2.000     2.000 peak  2651 weight  0.10000E+01 volume  0.12200E+00 ppm1      8.804 ppm2      3.234
 ASSI { 2644}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG21")
      3.500     1.500     1.500 peak  2644 weight  0.10000E+01 volume  0.46700E+00 ppm1      8.811 ppm2      0.690
 OR { 2644}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
 OR { 2644}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG23")
 ASSI { 2718}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB1 ")
      2.500     0.800     0.800 peak  2718 weight  0.10000E+01 volume  0.35300E+01 ppm1      7.854 ppm2      1.318
 OR { 2718}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB2 ")
 OR { 2718}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB3 ")
 ASSI { 2873}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG22")
      3.400     1.400     1.400 peak  2873 weight  0.10000E+01 volume  0.57100E+00 ppm1      8.810 ppm2      0.844
 OR { 2873}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 2873}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 2878}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
      3.600     1.600     1.600 peak  2878 weight  0.10000E+01 volume  0.29300E+00 ppm1      8.812 ppm2      1.669
 ASSI { 3053}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      3.200     1.300     1.300 peak  3053 weight  0.10000E+01 volume  0.52400E+00 ppm1      7.735 ppm2      1.874
 ASSI { 2595}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
      3.300     1.400     1.400 peak  2595 weight  0.10000E+01 volume  0.37500E+00 ppm1      7.618 ppm2      4.339
 ASSI { 3303}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD13")
      3.800     1.800     1.800 peak  3303 weight  0.10000E+01 volume  0.27100E+00 ppm1      8.799 ppm2      0.519
 OR { 3303}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD11")
 OR { 3303}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD12")
 ASSI { 3286}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
      4.100     2.100     1.900 peak  3286 weight  0.10000E+01 volume  0.12700E+00 ppm1      8.797 ppm2      3.806
 OR { 3286}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 3304}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD22")
      3.700     1.700     1.700 peak  3304 weight  0.10000E+01 volume  0.33800E+00 ppm1      8.801 ppm2      0.318
 OR { 3304}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD21")
 OR { 3304}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD23")
 ASSI { 3361}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG22")
      2.500     0.800     0.800 peak  3361 weight  0.10000E+01 volume  0.36570E+01 ppm1      7.514 ppm2      0.837
 OR { 3361}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG23")
 ASSI { 3665}
     (segid "    " and resid "89  " and name "HE22")
     (segid "    " and resid "91  " and name "HD12")
      3.700     1.700     1.700 peak  3665 weight  0.10000E+01 volume  0.32100E+00 ppm1      6.747 ppm2      0.776
 OR { 3665}
     (segid "    " and resid "89  " and name "HE22")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 2501}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
      2.700     0.900     0.900 peak  2501 weight  0.10000E+01 volume  0.14450E+01 ppm1      7.602 ppm2      4.095
 ASSI { 3137}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "78  " and name "HN  ")
      2.600     0.800     0.800 peak  3137 weight  0.10000E+01 volume  0.12270E+01 ppm1      9.416 ppm2      8.796
 ASSI { 3043}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      3.600     1.600     1.600 peak  3043 weight  0.10000E+01 volume  0.19900E+00 ppm1      9.144 ppm2      7.413
 ASSI { 2965}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA1 ")
      3.700     1.700     1.700 peak  2965 weight  0.10000E+01 volume  0.17200E+00 ppm1      8.578 ppm2      5.119
 ASSI { 2959}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB1 ")
      3.200     1.300     1.300 peak  2959 weight  0.10000E+01 volume  0.51300E+00 ppm1      8.577 ppm2      3.042
 ASSI { 2957}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
      3.500     1.500     1.500 peak  2957 weight  0.10000E+01 volume  0.40600E+00 ppm1      8.579 ppm2      0.513
 OR { 2957}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 OR { 2957}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 ASSI { 3653}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "98  " and name "HG13")
      4.100     2.100     1.900 peak  3653 weight  0.10000E+01 volume  0.18100E+00 ppm1      7.545 ppm2      1.066
 OR { 3653}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "98  " and name "HG11")
 OR { 3653}
     (segid "    " and resid "16  " and name "HE21")
     (segid "    " and resid "98  " and name "HG12")
 ASSI { 2971}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "61  " and name "HA  ")
      4.000     2.000     2.000 peak  2971 weight  0.10000E+01 volume  0.10700E+00 ppm1      8.581 ppm2      5.308
 ASSI { 3679}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "30  " and name "HN  ")
      3.600     1.600     1.600 peak  3679 weight  0.10000E+01 volume  0.21500E+00 ppm1      6.901 ppm2      8.254
 ASSI { 2416}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HD1 ")
      3.400     1.400     1.400 peak  2416 weight  0.10000E+01 volume  0.42100E+00 ppm1      6.571 ppm2      1.574
 OR { 2416}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2416}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 2407}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HB2 ")
      3.000     1.100     1.100 peak  2407 weight  0.10000E+01 volume  0.97100E+00 ppm1      6.570 ppm2      0.884
 OR { 2407}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HG  ")
 ASSI { 3147}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG11")
      3.100     1.200     1.200 peak  3147 weight  0.10000E+01 volume  0.92000E+00 ppm1      9.073 ppm2      0.482
 OR { 3147}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG13")
 OR { 3147}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG12")
 ASSI { 3156}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE2 ")
      4.100     2.100     1.900 peak  3156 weight  0.10000E+01 volume  0.29400E+00 ppm1      9.074 ppm2      6.947
 ASSI { 3352}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HA  ")
      2.800     1.000     1.000 peak  3352 weight  0.10000E+01 volume  0.10880E+01 ppm1      7.261 ppm2      4.336
 ASSI { 3026}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB1 ")
      3.400     1.400     1.400 peak  3026 weight  0.10000E+01 volume  0.38600E+00 ppm1      7.421 ppm2      2.781
 ASSI { 2776}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB3 ")
      3.200     1.300     1.300 peak  2776 weight  0.10000E+01 volume  0.80900E+00 ppm1      8.440 ppm2      1.319
 OR { 2776}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB2 ")
 OR { 2776}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 2781}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB2 ")
      3.700     1.700     1.700 peak  2781 weight  0.10000E+01 volume  0.24400E+00 ppm1      8.441 ppm2      1.487
 ASSI { 3105}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB1 ")
      3.700     1.700     1.700 peak  3105 weight  0.10000E+01 volume  0.24700E+00 ppm1      8.661 ppm2      2.785
 ASSI { 2578}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
      3.200     1.300     1.300 peak  2578 weight  0.10000E+01 volume  0.83300E+00 ppm1      8.562 ppm2      0.771
 OR { 2578}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD22")
 OR { 2578}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD11")
 OR { 2578}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD12")
 ASSI { 3315}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "79  " and name "HD1 ")
      3.400     1.400     1.400 peak  3315 weight  0.10000E+01 volume  0.80200E+00 ppm1      8.502 ppm2      6.923
 OR { 3315}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "79  " and name "HD2 ")
 ASSI { 2453}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HE2 ")
      3.800     1.800     1.800 peak  2453 weight  0.10000E+01 volume  0.19300E+00 ppm1      9.368 ppm2      2.889
 OR { 2453}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 3342}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "88  " and name "HB2 ")
      2.900     1.100     1.100 peak  3342 weight  0.10000E+01 volume  0.93600E+00 ppm1      7.656 ppm2      2.555
 ASSI { 2808}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB2 ")
      3.100     1.200     1.200 peak  2808 weight  0.10000E+01 volume  0.97300E+00 ppm1      7.820 ppm2      1.243
 OR { 2808}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB1 ")
 OR { 2808}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB3 ")
 ASSI { 2812}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB2 ")
      3.200     1.300     1.300 peak  2812 weight  0.10000E+01 volume  0.57500E+00 ppm1      7.817 ppm2      1.468
 ASSI { 3557}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HG1 ")
      3.100     1.200     1.200 peak  3557 weight  0.10000E+01 volume  0.84500E+00 ppm1      8.492 ppm2      0.694
 ASSI { 2485}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG23")
      3.600     1.600     1.600 peak  2485 weight  0.10000E+01 volume  0.38000E+00 ppm1      9.173 ppm2      0.879
 OR { 2485}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG21")
 OR { 2485}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG22")
 ASSI { 2410}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG1 ")
      3.900     1.900     1.900 peak  2410 weight  0.10000E+01 volume  0.17900E+00 ppm1      8.280 ppm2      1.983
 ASSI { 3282}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HB2 ")
      2.800     1.000     1.000 peak  3282 weight  0.10000E+01 volume  0.16310E+01 ppm1      7.891 ppm2      1.276
 OR { 3282}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HB1 ")
 OR { 3282}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "75  " and name "HB3 ")
 ASSI { 3214}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HG2 ")
      3.900     1.900     1.900 peak  3214 weight  0.10000E+01 volume  0.18500E+00 ppm1      8.112 ppm2      2.356
 ASSI { 3205}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB1 ")
      2.800     1.000     1.000 peak  3205 weight  0.10000E+01 volume  0.13330E+01 ppm1      8.120 ppm2      2.777
 ASSI { 2896}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
      3.500     1.500     1.500 peak  2896 weight  0.10000E+01 volume  0.41500E+00 ppm1      8.084 ppm2      0.694
 OR { 2896}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 2896}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG21")
 ASSI { 2424}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HB2 ")
      2.800     1.000     1.000 peak  2424 weight  0.10000E+01 volume  0.12390E+01 ppm1      9.273 ppm2      2.552
 ASSI { 3454}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "96  " and name "HN  ")
      2.200     0.600     0.600 peak  3454 weight  0.10000E+01 volume  0.41680E+01 ppm1      7.506 ppm2      8.541
 ASSI { 3471}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG21")
      2.900     1.100     1.100 peak  3471 weight  0.10000E+01 volume  0.12990E+01 ppm1      7.504 ppm2      0.704
 OR { 3471}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG23")
 OR { 3471}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 3469}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HB2 ")
      2.600     0.800     0.800 peak  3469 weight  0.10000E+01 volume  0.17890E+01 ppm1      7.501 ppm2      1.704
 OR { 3469}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD2 ")
 OR { 3469}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HD1 ")
 ASSI { 3475}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "96  " and name "HA  ")
      3.500     1.500     1.500 peak  3475 weight  0.10000E+01 volume  0.25400E+00 ppm1      7.505 ppm2      4.010
 ASSI { 3084}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HG2 ")
      3.100     1.200     1.200 peak  3084 weight  0.10000E+01 volume  0.67900E+00 ppm1      7.948 ppm2      1.409
 ASSI { 3122}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "79  " and name "HB1 ")
      4.000     2.000     2.000 peak  3122 weight  0.10000E+01 volume  0.15700E+00 ppm1      8.770 ppm2      2.652
 ASSI { 3015}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB1 ")
      4.200     2.200     1.800 peak  3015 weight  0.10000E+01 volume  0.11000E+00 ppm1      8.286 ppm2      3.258
 ASSI { 3000}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB1 ")
      3.200     1.300     1.300 peak  3000 weight  0.10000E+01 volume  0.62900E+00 ppm1      8.287 ppm2      1.692
 ASSI { 3281}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
      3.700     1.700     1.700 peak  3281 weight  0.10000E+01 volume  0.24400E+00 ppm1      7.857 ppm2      1.563
 OR { 3281}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI { 2856}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      2.500     0.800     0.800 peak  2856 weight  0.10000E+01 volume  0.21220E+01 ppm1      8.995 ppm2      3.202
 ASSI { 2772}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "4   " and name "HG1 ")
      4.300     2.300     1.700 peak  2772 weight  0.10000E+01 volume  0.96000E-01 ppm1      9.324 ppm2      2.705
 ASSI { 2771}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "35  " and name "HA  ")
      4.100     2.100     1.900 peak  2771 weight  0.10000E+01 volume  0.94000E-01 ppm1      9.325 ppm2      4.568
 ASSI { 3326}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB2 ")
      2.800     1.000     1.000 peak  3326 weight  0.10000E+01 volume  0.12070E+01 ppm1      8.659 ppm2      1.781
 ASSI { 3479}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG21")
      2.400     0.700     0.700 peak  3479 weight  0.10000E+01 volume  0.42160E+01 ppm1      8.542 ppm2      0.700
 OR { 3479}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG23")
 OR { 3479}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG22")
 ASSI { 2704}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD2 ")
      3.900     1.900     1.900 peak  2704 weight  0.10000E+01 volume  0.31300E+00 ppm1      9.144 ppm2      7.392
 OR { 2704}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD1 ")
 ASSI { 3525}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA  ")
      3.700     1.700     1.700 peak  3525 weight  0.10000E+01 volume  0.17100E+00 ppm1      8.511 ppm2      5.210
 ASSI { 3522}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG21")
      3.300     1.400     1.400 peak  3522 weight  0.10000E+01 volume  0.67100E+00 ppm1      8.514 ppm2      0.904
 OR { 3522}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG22")
 OR { 3522}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG23")
 ASSI { 3518}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG11")
      2.800     1.000     1.000 peak  3518 weight  0.10000E+01 volume  0.19030E+01 ppm1      8.515 ppm2      1.060
 OR { 3518}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG13")
 ASSI { 3176}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HB1 ")
      2.700     0.900     0.900 peak  3176 weight  0.10000E+01 volume  0.14210E+01 ppm1      8.777 ppm2      2.201
 ASSI { 3291}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HG1 ")
      3.200     1.300     1.300 peak  3291 weight  0.10000E+01 volume  0.59900E+00 ppm1      8.151 ppm2      1.545
 OR { 3291}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HG2 ")
 ASSI { 2376}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      2.300     0.700     0.700 peak  2376 weight  0.10000E+01 volume  0.32380E+01 ppm1      8.968 ppm2      4.896
 ASSI { 2930}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB2 ")
      3.700     1.700     1.700 peak  2930 weight  0.10000E+01 volume  0.21700E+00 ppm1      8.969 ppm2      3.192
 ASSI { 2920}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HB  ")
      2.800     1.000     1.000 peak  2920 weight  0.10000E+01 volume  0.12200E+01 ppm1      8.996 ppm2      1.538
 ASSI { 3504}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HB  ")
      2.900     1.100     1.100 peak  3504 weight  0.10000E+01 volume  0.11050E+01 ppm1      9.292 ppm2      1.906
 ASSI { 3485}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG1 ")
      3.500     1.500     1.500 peak  3485 weight  0.10000E+01 volume  0.30900E+00 ppm1      9.290 ppm2      1.231
 OR { 3485}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG2 ")
 ASSI { 2657}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD11")
      2.900     1.100     1.100 peak  2657 weight  0.10000E+01 volume  0.14990E+01 ppm1      9.750 ppm2      0.791
 OR { 2657}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD12")
 OR { 2657}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD23")
 OR { 2657}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD22")
 OR { 2657}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HD21")
 ASSI { 2661}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
      2.900     1.100     1.100 peak  2661 weight  0.10000E+01 volume  0.72200E+00 ppm1      9.750 ppm2      4.273
 ASSI { 3396}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB2 ")
      3.000     1.100     1.100 peak  3396 weight  0.10000E+01 volume  0.89200E+00 ppm1      9.046 ppm2      2.123
 OR { 3396}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HB1 ")
 OR { 3396}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HG2 ")
 ASSI { 3395}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HB2 ")
      2.900     1.100     1.100 peak  3395 weight  0.10000E+01 volume  0.97300E+00 ppm1      9.042 ppm2      2.569
 ASSI { 2642}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB  ")
      3.100     1.200     1.200 peak  2642 weight  0.10000E+01 volume  0.63400E+00 ppm1      8.806 ppm2      1.797
 ASSI { 2603}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
      2.700     0.900     0.900 peak  2603 weight  0.10000E+01 volume  0.22320E+01 ppm1      9.433 ppm2      1.177
 OR { 2603}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
 OR { 2603}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 2608}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG11")
      3.500     1.500     1.500 peak  2608 weight  0.10000E+01 volume  0.48700E+00 ppm1      9.433 ppm2      0.477
 OR { 2608}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG21")
 OR { 2608}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG12")
 OR { 2608}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG23")
 OR { 2608}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG13")
 ASSI { 3623}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HA  ")
      3.300     1.400     1.400 peak  3623 weight  0.10000E+01 volume  0.35000E+00 ppm1      9.728 ppm2      4.802
 ASSI { 2263}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "82  " and name "HB2 ")
      3.300     1.400     1.400 peak  2263 weight  0.10000E+01 volume  0.50400E+00 ppm1      9.736 ppm2      1.766
 ASSI { 2728}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD1 ")
      4.100     2.100     1.900 peak  2728 weight  0.10000E+01 volume  0.17000E+00 ppm1      7.861 ppm2      7.389
 ASSI {  697}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HB1 ")
      4.100     2.100     1.900 peak   697 weight  0.10000E+01 volume  0.13200E+00 ppm1     10.021 ppm2      3.085
 ASSI { 3502}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG21")
      4.000     2.000     2.000 peak  3502 weight  0.10000E+01 volume  0.21400E+00 ppm1      8.371 ppm2      0.879
 OR { 3502}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG23")
 OR { 3502}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG22")
 ASSI { 3494}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG12")
      2.500     0.800     0.800 peak  3494 weight  0.10000E+01 volume  0.33540E+01 ppm1      8.366 ppm2      0.704
 OR { 3494}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 3494}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG11")
 ASSI { 3691}
     (segid "    " and resid "56  " and name "HE  ")
     (segid "    " and resid "56  " and name "HG2 ")
      3.600     1.600     1.600 peak  3691 weight  0.10000E+01 volume  0.37600E+00 ppm1      7.238 ppm2      1.780
 OR { 3691}
     (segid "    " and resid "56  " and name "HE  ")
     (segid "    " and resid "56  " and name "HG1 ")
 ASSI { 3684}
     (segid "    " and resid "10  " and name "HE  ")
     (segid "    " and resid "10  " and name "HB1 ")
      3.400     1.400     1.400 peak  3684 weight  0.10000E+01 volume  0.59300E+00 ppm1      8.287 ppm2      1.996
 ASSI { 3688}
     (segid "    " and resid "56  " and name "HE  ")
     (segid "    " and resid "56  " and name "HD1 ")
      2.800     1.000     1.000 peak  3688 weight  0.10000E+01 volume  0.17470E+01 ppm1      7.339 ppm2      3.174
 OR { 3688}
     (segid "    " and resid "56  " and name "HE  ")
     (segid "    " and resid "56  " and name "HD2 ")
 ASSI { 3700}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "46  " and name "HG13")
      3.800     1.800     1.800 peak  3700 weight  0.10000E+01 volume  0.29900E+00 ppm1      6.878 ppm2      0.694
 OR { 3700}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "46  " and name "HG11")
 OR { 3700}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "46  " and name "HG12")
 ASSI { 2872}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "79  " and name "HB1 ")
      3.000     1.100     1.100 peak  2872 weight  0.10000E+01 volume  0.89100E+00 ppm1      8.866 ppm2      2.679
 ASSI { 3050}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
      2.700     0.900     0.900 peak  3050 weight  0.10000E+01 volume  0.11340E+01 ppm1      7.739 ppm2      9.148
 ASSI { 2746}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HN  ")
      3.600     1.600     1.600 peak  2746 weight  0.10000E+01 volume  0.18800E+00 ppm1      7.408 ppm2      8.732
 ASSI { 2735}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG2 ")
      2.600     0.800     0.800 peak  2735 weight  0.10000E+01 volume  0.22480E+01 ppm1      7.409 ppm2      1.321
 ASSI { 2739}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HB2 ")
      2.900     1.100     1.100 peak  2739 weight  0.10000E+01 volume  0.10860E+01 ppm1      7.408 ppm2      3.089
 OR { 2739}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HB1 ")
 ASSI { 3310}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
      3.400     1.400     1.400 peak  3310 weight  0.10000E+01 volume  0.57600E+00 ppm1      8.798 ppm2      0.974
 OR { 3310}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 3310}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 3310}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD21")
 ASSI { 3311}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      3.900     1.900     1.900 peak  3311 weight  0.10000E+01 volume  0.14000E+00 ppm1      8.800 ppm2      5.226
 ASSI { 3644}
     (segid "    " and resid "89  " and name "HE21")
     (segid "    " and resid "90  " and name "HN  ")
      4.100     2.100     1.900 peak  3644 weight  0.10000E+01 volume  0.94000E-01 ppm1      7.414 ppm2      9.016
 ASSI { 2513}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "13  " and name "HA  ")
      3.300     1.400     1.400 peak  2513 weight  0.10000E+01 volume  0.40200E+00 ppm1      7.603 ppm2      5.081
 ASSI { 3148}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD22")
      3.900     1.900     1.900 peak  3148 weight  0.10000E+01 volume  0.24100E+00 ppm1      9.411 ppm2      0.320
 OR { 3148}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD21")
 OR { 3148}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD23")
 ASSI { 3035}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
      2.500     0.800     0.800 peak  3035 weight  0.10000E+01 volume  0.22530E+01 ppm1      9.140 ppm2      1.924
 ASSI { 3042}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HE1 ")
      3.900     1.900     1.900 peak  3042 weight  0.10000E+01 volume  0.17800E+00 ppm1      9.145 ppm2      2.888
 OR { 3042}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HE2 ")
 ASSI { 2960}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
      3.600     1.600     1.600 peak  2960 weight  0.10000E+01 volume  0.26600E+00 ppm1      8.577 ppm2      3.614
 ASSI { 3151}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD1 ")
      3.300     1.400     1.400 peak  3151 weight  0.10000E+01 volume  0.10030E+01 ppm1      9.076 ppm2      7.118
 ASSI { 2547}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      2.900     1.100     1.100 peak  2547 weight  0.10000E+01 volume  0.74400E+00 ppm1      9.819 ppm2      4.365
 ASSI { 3359}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
      3.600     1.600     1.600 peak  3359 weight  0.10000E+01 volume  0.20400E+00 ppm1      7.258 ppm2      2.885
 ASSI { 3032}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HN  ")
      3.700     1.700     1.700 peak  3032 weight  0.10000E+01 volume  0.15500E+00 ppm1      7.421 ppm2      8.303
 ASSI { 2782}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HG1 ")
      3.700     1.700     1.700 peak  2782 weight  0.10000E+01 volume  0.25400E+00 ppm1      8.441 ppm2      1.904
 OR { 2782}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI { 3074}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      3.800     1.800     1.800 peak  3074 weight  0.10000E+01 volume  0.14400E+00 ppm1      7.327 ppm2      8.665
 ASSI { 2681}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB1 ")
      2.500     0.800     0.800 peak  2681 weight  0.10000E+01 volume  0.25870E+01 ppm1      8.300 ppm2      2.575
 OR { 2681}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB2 ")
 ASSI { 2445}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HB1 ")
      2.800     1.000     1.000 peak  2445 weight  0.10000E+01 volume  0.12250E+01 ppm1      9.366 ppm2      1.996
 ASSI { 3404}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB2 ")
      2.500     0.800     0.800 peak  3404 weight  0.10000E+01 volume  0.27490E+01 ppm1      7.657 ppm2      1.927
 OR { 3404}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB1 ")
 ASSI { 3558}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HB1 ")
      2.900     1.100     1.100 peak  3558 weight  0.10000E+01 volume  0.10930E+01 ppm1      8.490 ppm2      1.592
 ASSI { 3556}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HB2 ")
      2.800     1.000     1.000 peak  3556 weight  0.10000E+01 volume  0.13100E+01 ppm1      8.489 ppm2      1.362
 ASSI { 2483}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB1 ")
      3.100     1.200     1.200 peak  2483 weight  0.10000E+01 volume  0.69600E+00 ppm1      9.174 ppm2      1.328
 ASSI { 3573}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "102 " and name "HB1 ")
      3.600     1.600     1.600 peak  3573 weight  0.10000E+01 volume  0.30000E+00 ppm1      7.441 ppm2      1.592
 ASSI { 3552}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB1 ")
      3.300     1.400     1.400 peak  3552 weight  0.10000E+01 volume  0.48900E+00 ppm1      7.443 ppm2      2.981
 ASSI { 2626}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA  ")
      3.000     1.100     1.100 peak  2626 weight  0.10000E+01 volume  0.60400E+00 ppm1      8.405 ppm2      4.220
 ASSI { 2623}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
      2.600     0.800     0.800 peak  2623 weight  0.10000E+01 volume  0.25370E+01 ppm1      8.404 ppm2      1.181
 OR { 2623}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 2623}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 2431}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HB2 ")
      2.600     0.800     0.800 peak  2431 weight  0.10000E+01 volume  0.19290E+01 ppm1      7.818 ppm2      1.569
 OR { 2431}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HG1 ")
 ASSI { 2435}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HA  ")
      2.900     1.100     1.100 peak  2435 weight  0.10000E+01 volume  0.77700E+00 ppm1      7.818 ppm2      4.725
 ASSI { 3227}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "70  " and name "HD1 ")
      4.600     2.600     1.400 peak  3227 weight  0.10000E+01 volume  0.13000E+00 ppm1      7.930 ppm2      7.011
 OR { 3227}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "70  " and name "HD2 ")
 ASSI { 2980}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
      3.000     1.100     1.100 peak  2980 weight  0.10000E+01 volume  0.10680E+01 ppm1      8.598 ppm2      1.179
 OR { 2980}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 2987}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      3.200     1.300     1.300 peak  2987 weight  0.10000E+01 volume  0.44500E+00 ppm1      8.600 ppm2      4.560
 ASSI { 2888}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
      2.400     0.700     0.700 peak  2888 weight  0.10000E+01 volume  0.21020E+01 ppm1      8.081 ppm2      8.809
 ASSI { 2998}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "13  " and name "HA  ")
      3.800     1.800     1.800 peak  2998 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.615 ppm2      5.076
 ASSI { 2555}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB1 ")
      2.800     1.000     1.000 peak  2555 weight  0.10000E+01 volume  0.11300E+01 ppm1      8.164 ppm2      3.314
 ASSI { 3476}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      3.900     1.900     1.900 peak  3476 weight  0.10000E+01 volume  0.12900E+00 ppm1      7.507 ppm2      9.187
 ASSI { 3092}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA1 ")
      3.900     1.900     1.900 peak  3092 weight  0.10000E+01 volume  0.13700E+00 ppm1      7.947 ppm2      4.692
 ASSI { 3168}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "66  " and name "HN  ")
      3.000     3.000     2.000 peak  3168 weight  0.10000E+01 volume  0.59700E+00 ppm1      8.967 ppm2      8.787
 ASSI { 3172}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
      4.400     2.400     1.600 peak  3172 weight  0.10000E+01 volume  0.11200E+00 ppm1      8.970 ppm2      1.265
 OR { 3172}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 3172}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 3162}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG12")
      2.600     0.800     0.800 peak  3162 weight  0.10000E+01 volume  0.30560E+01 ppm1      8.967 ppm2      1.031
 OR { 3162}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG13")
 OR { 3162}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG11")
 ASSI { 3118}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB1 ")
      3.200     1.300     1.300 peak  3118 weight  0.10000E+01 volume  0.54000E+00 ppm1      8.766 ppm2      3.079
 OR { 3118}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
 ASSI { 3114}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "81  " and name "HA  ")
      3.300     1.400     1.400 peak  3114 weight  0.10000E+01 volume  0.35800E+00 ppm1      8.771 ppm2      4.649
 ASSI { 3010}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
      3.500     1.500     1.500 peak  3010 weight  0.10000E+01 volume  0.33800E+00 ppm1      8.288 ppm2      1.413
 ASSI { 2393}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "5   " and name "HD1 ")
      3.900     1.900     1.900 peak  2393 weight  0.10000E+01 volume  0.16400E+00 ppm1      7.932 ppm2      3.862
 ASSI { 3595}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "106 " and name "HD2 ")
      4.200     2.200     1.800 peak  3595 weight  0.10000E+01 volume  0.24800E+00 ppm1      7.580 ppm2      6.780
 OR { 3595}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "106 " and name "HD1 ")
 ASSI { 3427}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HG2 ")
      3.200     1.300     1.300 peak  3427 weight  0.10000E+01 volume  0.54300E+00 ppm1      9.008 ppm2      2.150
 ASSI { 3482}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "95  " and name "HA  ")
      2.600     0.800     0.800 peak  3482 weight  0.10000E+01 volume  0.14480E+01 ppm1      8.545 ppm2      4.525
 ASSI { 3277}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "72  " and name "HA  ")
      3.900     3.900     1.100 peak  3277 weight  0.10000E+01 volume  0.12800E+00 ppm1      8.092 ppm2      4.595
 ASSI { 2708}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG23")
      4.000     2.000     2.000 peak  2708 weight  0.10000E+01 volume  0.20200E+00 ppm1      9.142 ppm2      1.227
 OR { 2708}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG22")
 OR { 2708}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG21")
 ASSI { 3520}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HG1 ")
      2.600     0.800     0.800 peak  3520 weight  0.10000E+01 volume  0.21410E+01 ppm1      8.516 ppm2      1.608
 OR { 3520}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HG2 ")
 ASSI { 3605}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HN  ")
      3.500     1.500     1.500 peak  3605 weight  0.10000E+01 volume  0.22400E+00 ppm1      8.231 ppm2      7.571
 ASSI { 2362}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HE2 ")
      4.300     2.300     1.700 peak  2362 weight  0.10000E+01 volume  0.19400E+00 ppm1      9.177 ppm2      6.797
 OR { 2362}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HE1 ")
 ASSI { 3175}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG22")
      2.900     1.100     1.100 peak  3175 weight  0.10000E+01 volume  0.14460E+01 ppm1      8.777 ppm2      1.035
 OR { 3175}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG21")
 OR { 3175}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "65  " and name "HG23")
 ASSI { 3183}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG13")
      4.100     2.100     1.900 peak  3183 weight  0.10000E+01 volume  0.17000E+00 ppm1      8.778 ppm2      0.694
 OR { 3183}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG12")
 OR { 3183}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG11")
 ASSI { 3292}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HB2 ")
      3.100     1.200     1.200 peak  3292 weight  0.10000E+01 volume  0.68400E+00 ppm1      8.153 ppm2      1.761
 OR { 3292}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HB1 ")
 ASSI { 3512}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "99  " and name "HN  ")
      3.400     1.400     1.400 peak  3512 weight  0.10000E+01 volume  0.27800E+00 ppm1      9.292 ppm2      8.524
 ASSI { 3391}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HA  ")
      2.900     1.100     1.100 peak  3391 weight  0.10000E+01 volume  0.84100E+00 ppm1      9.048 ppm2      4.940
 ASSI { 2714}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
      3.400     1.400     1.400 peak  2714 weight  0.10000E+01 volume  0.36500E+00 ppm1      7.983 ppm2      2.646
 ASSI { 2647}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB3 ")
      4.100     2.100     1.900 peak  2647 weight  0.10000E+01 volume  0.16800E+00 ppm1      8.804 ppm2      1.197
 OR { 2647}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 2647}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 2818}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG23")
      2.800     1.000     1.000 peak  2818 weight  0.10000E+01 volume  0.19160E+01 ppm1      9.118 ppm2      1.228
 OR { 2818}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG22")
 OR { 2818}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG21")
 ASSI { 2607}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      2.900     1.100     1.100 peak  2607 weight  0.10000E+01 volume  0.72600E+00 ppm1      9.432 ppm2      5.279
 ASSI { 2533}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG21")
      3.800     1.800     1.800 peak  2533 weight  0.10000E+01 volume  0.28000E+00 ppm1      9.432 ppm2      1.046
 OR { 2533}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG22")
 OR { 2533}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG23")
 ASSI { 2723}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      2.800     1.000     1.000 peak  2723 weight  0.10000E+01 volume  0.10010E+01 ppm1      7.853 ppm2      4.037
 ASSI { 2734}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "31  " and name "HE1 ")
      4.900     3.000     1.100 peak  2734 weight  0.10000E+01 volume  0.92000E-01 ppm1      7.849 ppm2      6.938
 ASSI { 2867}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB3 ")
      2.600     0.800     0.800 peak  2867 weight  0.10000E+01 volume  0.25850E+01 ppm1      8.809 ppm2      1.403
 OR { 2867}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 2879}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA1 ")
      3.500     1.500     1.500 peak  2879 weight  0.10000E+01 volume  0.27500E+00 ppm1      8.867 ppm2      4.649
 ASSI { 2875}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "79  " and name "HB2 ")
      3.300     1.400     1.400 peak  2875 weight  0.10000E+01 volume  0.51000E+00 ppm1      8.861 ppm2      1.991
 ASSI { 2882}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "80  " and name "HB2 ")
      3.600     1.600     1.600 peak  2882 weight  0.10000E+01 volume  0.27100E+00 ppm1      8.863 ppm2      2.506
 ASSI { 2871}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "80  " and name "HD2 ")
      3.100     1.200     1.200 peak  2871 weight  0.10000E+01 volume  0.14330E+01 ppm1      8.865 ppm2      6.925
 OR { 2871}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "80  " and name "HD1 ")
 ASSI { 2880}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA2 ")
      3.300     1.400     1.400 peak  2880 weight  0.10000E+01 volume  0.35600E+00 ppm1      8.863 ppm2      3.082
 ASSI { 2881}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "80  " and name "HB1 ")
      3.100     1.200     1.200 peak  2881 weight  0.10000E+01 volume  0.70300E+00 ppm1      8.863 ppm2      3.443
 ASSI { 3052}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA1 ")
      3.300     1.400     1.400 peak  3052 weight  0.10000E+01 volume  0.37400E+00 ppm1      7.745 ppm2      4.010
 ASSI { 2586}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
      2.500     0.800     0.800 peak  2586 weight  0.10000E+01 volume  0.17790E+01 ppm1      7.618 ppm2      9.127
 ASSI { 2744}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      3.200     1.300     1.300 peak  2744 weight  0.10000E+01 volume  0.40400E+00 ppm1      7.409 ppm2      4.038
 ASSI { 2590}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      3.000     1.100     1.100 peak  2590 weight  0.10000E+01 volume  0.61300E+00 ppm1      7.620 ppm2      4.916
 ASSI { 2745}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG1 ")
      3.500     1.500     1.500 peak  2745 weight  0.10000E+01 volume  0.30600E+00 ppm1      7.406 ppm2      1.490
 ASSI { 2743}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB1 ")
      3.500     1.500     1.500 peak  2743 weight  0.10000E+01 volume  0.30900E+00 ppm1      7.405 ppm2      2.124
 ASSI { 3306}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "79  " and name "HN  ")
      3.600     1.600     1.600 peak  3306 weight  0.10000E+01 volume  0.18200E+00 ppm1      8.801 ppm2      8.501
 ASSI { 2521}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "16  " and name "HN  ")
      4.000     2.000     2.000 peak  2521 weight  0.10000E+01 volume  0.10300E+00 ppm1      7.602 ppm2      8.998
 ASSI { 2506}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
      3.100     1.200     1.200 peak  2506 weight  0.10000E+01 volume  0.52700E+00 ppm1      7.600 ppm2      8.440
 ASSI { 3146}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
      3.600     1.600     1.600 peak  3146 weight  0.10000E+01 volume  0.38300E+00 ppm1      9.419 ppm2      0.940
 OR { 3146}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
 OR { 3146}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD13")
 ASSI { 3143}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      3.500     1.500     1.500 peak  3143 weight  0.10000E+01 volume  0.21200E+00 ppm1      9.410 ppm2      9.078
 ASSI { 3138}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "80  " and name "HE2 ")
      3.300     1.400     1.400 peak  3138 weight  0.10000E+01 volume  0.11030E+01 ppm1      9.415 ppm2      6.951
 OR { 3138}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "80  " and name "HD2 ")
 ASSI { 3141}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB2 ")
      3.400     1.400     1.400 peak  3141 weight  0.10000E+01 volume  0.40100E+00 ppm1      9.414 ppm2      1.300
 OR { 3141}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB1 ")
 OR { 3141}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "77  " and name "HG  ")
 ASSI { 3038}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG2 ")
      3.200     1.300     1.300 peak  3038 weight  0.10000E+01 volume  0.61600E+00 ppm1      9.141 ppm2      1.306
 OR { 3038}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 3192}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HB2 ")
      3.400     1.400     1.400 peak  3192 weight  0.10000E+01 volume  0.36500E+00 ppm1      8.475 ppm2      1.884
 ASSI { 2953}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG12")
      2.900     1.100     1.100 peak  2953 weight  0.10000E+01 volume  0.12570E+01 ppm1      8.580 ppm2      0.686
 OR { 2953}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 2953}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG11")
 ASSI { 3657}
     (segid "    " and resid "45  " and name "HE21")
     (segid "    " and resid "65  " and name "HG23")
      3.200     1.300     1.300 peak  3657 weight  0.10000E+01 volume  0.81400E+00 ppm1      7.750 ppm2      1.038
 OR { 3657}
     (segid "    " and resid "45  " and name "HE21")
     (segid "    " and resid "65  " and name "HG22")
 OR { 3657}
     (segid "    " and resid "45  " and name "HE21")
     (segid "    " and resid "65  " and name "HG21")
 ASSI { 3681}
     (segid "    " and resid "45  " and name "HE22")
     (segid "    " and resid "65  " and name "HG23")
      3.200     1.300     1.300 peak  3681 weight  0.10000E+01 volume  0.82500E+00 ppm1      6.917 ppm2      1.037
 OR { 3681}
     (segid "    " and resid "45  " and name "HE22")
     (segid "    " and resid "65  " and name "HG22")
 OR { 3681}
     (segid "    " and resid "45  " and name "HE22")
     (segid "    " and resid "65  " and name "HG21")
 ASSI { 2411}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HA  ")
      3.200     1.300     1.300 peak  2411 weight  0.10000E+01 volume  0.47900E+00 ppm1      6.569 ppm2      2.909
 ASSI { 2356}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
      2.900     1.100     1.100 peak  2356 weight  0.10000E+01 volume  0.13470E+01 ppm1      6.572 ppm2      1.714
 OR { 2356}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB3 ")
 OR { 2356}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 3159}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      3.500     1.500     1.500 peak  3159 weight  0.10000E+01 volume  0.26000E+00 ppm1      9.077 ppm2      4.369
 ASSI { 3150}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA2 ")
      2.700     0.900     0.900 peak  3150 weight  0.10000E+01 volume  0.11510E+01 ppm1      9.073 ppm2      4.705
 ASSI { 2676}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HN  ")
      3.400     1.400     1.400 peak  2676 weight  0.10000E+01 volume  0.30100E+00 ppm1      7.415 ppm2      8.313
 ASSI { 3348}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "82  " and name "HB1 ")
      3.700     1.700     1.700 peak  3348 weight  0.10000E+01 volume  0.23300E+00 ppm1      7.668 ppm2      1.388
 ASSI { 3340}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "82  " and name "HA  ")
      3.300     1.400     1.400 peak  3340 weight  0.10000E+01 volume  0.37500E+00 ppm1      7.668 ppm2      2.879
 ASSI { 3349}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG22")
      2.700     0.900     0.900 peak  3349 weight  0.10000E+01 volume  0.19730E+01 ppm1      7.262 ppm2      0.802
 OR { 3349}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG23")
 ASSI { 2751}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB2 ")
      2.700     0.900     0.900 peak  2751 weight  0.10000E+01 volume  0.14620E+01 ppm1      8.727 ppm2      3.339
 ASSI { 2750}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HA  ")
      2.600     0.800     0.800 peak  2750 weight  0.10000E+01 volume  0.16670E+01 ppm1      8.729 ppm2      4.570
 ASSI { 3023}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB2 ")
      3.000     1.100     1.100 peak  3023 weight  0.10000E+01 volume  0.84400E+00 ppm1      7.419 ppm2      1.084
 ASSI { 2775}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HN  ")
      2.600     0.800     0.800 peak  2775 weight  0.10000E+01 volume  0.12530E+01 ppm1      8.440 ppm2      9.332
 ASSI { 3067}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD1 ")
      3.200     1.300     1.300 peak  3067 weight  0.10000E+01 volume  0.58900E+00 ppm1      7.327 ppm2      3.225
 OR { 3067}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "58  " and name "HD2 ")
 ASSI { 3098}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      3.200     1.300     1.300 peak  3098 weight  0.10000E+01 volume  0.41800E+00 ppm1      8.664 ppm2      4.306
 ASSI { 3095}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      2.900     1.100     1.100 peak  3095 weight  0.10000E+01 volume  0.97700E+00 ppm1      8.664 ppm2      0.925
 OR { 3095}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 2695}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG2 ")
      3.500     1.500     1.500 peak  2695 weight  0.10000E+01 volume  0.31000E+00 ppm1      8.302 ppm2      1.333
 OR { 2695}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG1 ")
 ASSI { 2686}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
      3.000     1.100     1.100 peak  2686 weight  0.10000E+01 volume  0.88000E+00 ppm1      8.301 ppm2      1.438
 ASSI { 2692}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
      3.500     1.500     1.500 peak  2692 weight  0.10000E+01 volume  0.35000E+00 ppm1      8.300 ppm2      1.666
 ASSI { 3313}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "38  " and name "HA  ")
      2.700     0.900     0.900 peak  3313 weight  0.10000E+01 volume  0.11770E+01 ppm1      8.500 ppm2      5.386
 ASSI { 3695}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HB2 ")
      3.200     1.300     1.300 peak  3695 weight  0.10000E+01 volume  0.52000E+00 ppm1      3.985 ppm2      0.879
 OR { 3695}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HG  ")
 ASSI { 3414}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
      2.900     1.100     1.100 peak  3414 weight  0.10000E+01 volume  0.97500E+00 ppm1      7.657 ppm2      1.809
 OR { 3414}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "24  " and name "HE3 ")
 OR { 3414}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "24  " and name "HE1 ")
 ASSI { 3419}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      3.900     1.900     1.900 peak  3419 weight  0.10000E+01 volume  0.11200E+00 ppm1      7.657 ppm2      8.393
 ASSI { 3563}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HG2 ")
      3.500     1.500     1.500 peak  3563 weight  0.10000E+01 volume  0.34500E+00 ppm1      8.492 ppm2      0.348
 ASSI { 3581}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB1 ")
      2.900     1.100     1.100 peak  3581 weight  0.10000E+01 volume  0.93100E+00 ppm1      7.656 ppm2      1.592
 ASSI { 2481}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "96  " and name "HN  ")
      2.800     1.000     1.000 peak  2481 weight  0.10000E+01 volume  0.83000E+00 ppm1      9.173 ppm2      8.547
 ASSI { 2622}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB  ")
      2.500     0.800     0.800 peak  2622 weight  0.10000E+01 volume  0.24630E+01 ppm1      8.404 ppm2      1.801
 ASSI { 2413}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "105 " and name "HD1 ")
      4.600     2.600     1.400 peak  2413 weight  0.10000E+01 volume  0.13400E+00 ppm1      8.273 ppm2      7.051
 OR { 2413}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "105 " and name "HD2 ")
 ASSI { 3219}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "66  " and name "HB1 ")
      4.100     2.100     1.900 peak  3219 weight  0.10000E+01 volume  0.13100E+00 ppm1      8.111 ppm2      2.207
 ASSI { 3207}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      2.800     1.000     1.000 peak  3207 weight  0.10000E+01 volume  0.96000E+00 ppm1      8.110 ppm2      8.472
 ASSI { 3208}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HN  ")
      2.700     0.900     0.900 peak  3208 weight  0.10000E+01 volume  0.11480E+01 ppm1      8.118 ppm2      7.770
 ASSI { 2541}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HA  ")
      3.300     1.400     1.400 peak  2541 weight  0.10000E+01 volume  0.36800E+00 ppm1      8.434 ppm2      4.382
 ASSI { 2891}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
      2.700     0.900     0.900 peak  2891 weight  0.10000E+01 volume  0.15060E+01 ppm1      8.084 ppm2      1.958
 ASSI { 2422}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
      2.500     0.800     0.800 peak  2422 weight  0.10000E+01 volume  0.18570E+01 ppm1      9.277 ppm2      4.283
 ASSI { 2553}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB2 ")
      2.700     0.900     0.900 peak  2553 weight  0.10000E+01 volume  0.15660E+01 ppm1      8.166 ppm2      2.736
 ASSI { 2563}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
      2.700     0.900     0.900 peak  2563 weight  0.10000E+01 volume  0.15540E+01 ppm1      9.130 ppm2      1.269
 ASSI { 2570}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
      3.500     1.500     1.500 peak  2570 weight  0.10000E+01 volume  0.35600E+00 ppm1      9.130 ppm2      0.988
 ASSI { 3083}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      2.900     1.100     1.100 peak  3083 weight  0.10000E+01 volume  0.74900E+00 ppm1      7.948 ppm2      4.296
 ASSI { 3170}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HA  ")
      3.100     1.200     1.200 peak  3170 weight  0.10000E+01 volume  0.50100E+00 ppm1      8.969 ppm2      4.652
 ASSI { 3171}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG13")
      4.200     2.200     1.800 peak  3171 weight  0.10000E+01 volume  0.15400E+00 ppm1      8.971 ppm2      0.490
 OR { 3171}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG11")
 OR { 3171}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG22")
 OR { 3171}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG12")
 ASSI { 3014}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
      3.800     1.800     1.800 peak  3014 weight  0.10000E+01 volume  0.14600E+00 ppm1      8.289 ppm2      9.278
 ASSI { 3235}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "92  " and name "HB1 ")
      2.900     1.100     1.100 peak  3235 weight  0.10000E+01 volume  0.93100E+00 ppm1      8.170 ppm2      1.804
 ASSI { 3545}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "104 " and name "HN  ")
      3.500     1.500     1.500 peak  3545 weight  0.10000E+01 volume  0.23900E+00 ppm1      9.118 ppm2      7.657
 ASSI { 3544}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB2 ")
      3.500     1.500     1.500 peak  3544 weight  0.10000E+01 volume  0.34800E+00 ppm1      9.117 ppm2      2.451
 ASSI { 3249}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG12")
      4.200     2.200     1.800 peak  3249 weight  0.10000E+01 volume  0.13700E+00 ppm1      8.170 ppm2      0.567
 OR { 3249}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 3249}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
 ASSI { 3002}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HG  ")
      2.800     1.000     1.000 peak  3002 weight  0.10000E+01 volume  0.13340E+01 ppm1      8.289 ppm2      1.806
 ASSI { 3543}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB2 ")
      3.300     1.400     1.400 peak  3543 weight  0.10000E+01 volume  0.46300E+00 ppm1      9.116 ppm2      2.630
 ASSI { 3008}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB2 ")
      3.100     1.200     1.200 peak  3008 weight  0.10000E+01 volume  0.63500E+00 ppm1      8.292 ppm2      1.086
 ASSI { 2389}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HG2 ")
      3.300     1.400     1.400 peak  2389 weight  0.10000E+01 volume  0.45800E+00 ppm1      7.930 ppm2      2.520
 ASSI { 3009}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD23")
      3.500     1.500     1.500 peak  3009 weight  0.10000E+01 volume  0.46000E+00 ppm1      8.288 ppm2      0.777
 OR { 3009}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD22")
 OR { 3009}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD21")
 ASSI { 2803}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "78  " and name "HA1 ")
      4.000     2.000     2.000 peak  2803 weight  0.10000E+01 volume  0.11400E+00 ppm1      9.142 ppm2      4.195
 ASSI { 2799}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB2 ")
      3.400     1.400     1.400 peak  2799 weight  0.10000E+01 volume  0.41500E+00 ppm1      9.143 ppm2      3.130
 ASSI { 2800}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB2 ")
      3.700     1.700     1.700 peak  2800 weight  0.10000E+01 volume  0.33100E+00 ppm1      9.142 ppm2      1.324
 OR { 2800}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB3 ")
 OR { 2800}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "33  " and name "HB1 ")
 ASSI { 2847}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "45  " and name "HG1 ")
      3.200     1.300     1.300 peak  2847 weight  0.10000E+01 volume  0.56800E+00 ppm1      8.758 ppm2      2.440
 OR { 2847}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "45  " and name "HG2 ")
 ASSI { 3422}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB1 ")
      2.800     1.000     1.000 peak  3422 weight  0.10000E+01 volume  0.12210E+01 ppm1      9.008 ppm2      1.927
 OR { 3422}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HB2 ")
 ASSI { 3425}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HN  ")
      3.300     1.400     1.400 peak  3425 weight  0.10000E+01 volume  0.33700E+00 ppm1      9.003 ppm2      7.655
 ASSI { 3495}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB2 ")
      4.000     2.000     2.000 peak  3495 weight  0.10000E+01 volume  0.15400E+00 ppm1      8.535 ppm2      3.369
 ASSI { 3477}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "12  " and name "HB1 ")
      3.800     1.800     1.800 peak  3477 weight  0.10000E+01 volume  0.19200E+00 ppm1      8.542 ppm2      1.392
 ASSI { 3481}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "96  " and name "HB  ")
      2.500     0.800     0.800 peak  3481 weight  0.10000E+01 volume  0.27510E+01 ppm1      8.542 ppm2      1.609
 ASSI { 2911}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HG2 ")
      3.000     1.100     1.100 peak  2911 weight  0.10000E+01 volume  0.84300E+00 ppm1      8.386 ppm2      2.417
 OR { 2911}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HG1 ")
 ASSI { 2908}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG12")
      3.200     1.300     1.300 peak  2908 weight  0.10000E+01 volume  0.79100E+00 ppm1      8.388 ppm2      0.690
 OR { 2908}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG13")
 OR { 2908}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG11")
 ASSI { 2910}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB1 ")
      3.000     1.100     1.100 peak  2910 weight  0.10000E+01 volume  0.77100E+00 ppm1      8.383 ppm2      2.149
 ASSI { 2916}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG21")
      4.200     2.200     1.800 peak  2916 weight  0.10000E+01 volume  0.15400E+00 ppm1      8.384 ppm2      0.844
 OR { 2916}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG22")
 OR { 2916}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 2496}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG11")
      4.200     2.200     1.800 peak  2496 weight  0.10000E+01 volume  0.10900E+00 ppm1     10.343 ppm2      1.804
 ASSI { 2492}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB2 ")
      3.200     1.300     1.300 peak  2492 weight  0.10000E+01 volume  0.55800E+00 ppm1     10.342 ppm2      3.361
 ASSI { 2701}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB  ")
      3.100     1.200     1.200 peak  2701 weight  0.10000E+01 volume  0.64900E+00 ppm1      9.142 ppm2      1.468
 ASSI { 3467}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HG1 ")
      4.100     2.100     1.900 peak  3467 weight  0.10000E+01 volume  0.12900E+00 ppm1      8.468 ppm2      2.560
 ASSI { 3524}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "100 " and name "HN  ")
      3.400     1.400     1.400 peak  3524 weight  0.10000E+01 volume  0.29700E+00 ppm1      8.515 ppm2      7.861
 ASSI { 3517}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HB1 ")
      2.400     0.700     0.700 peak  3517 weight  0.10000E+01 volume  0.29290E+01 ppm1      8.515 ppm2      1.928
 OR { 3517}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HB2 ")
 ASSI { 3521}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "99  " and name "HA  ")
      2.700     0.900     0.900 peak  3521 weight  0.10000E+01 volume  0.12390E+01 ppm1      8.513 ppm2      4.592
 ASSI { 3602}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "3   " and name "HA  ")
      3.100     1.200     1.200 peak  3602 weight  0.10000E+01 volume  0.57200E+00 ppm1      8.232 ppm2      4.094
 ASSI { 3603}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB2 ")
      3.300     1.400     1.400 peak  3603 weight  0.10000E+01 volume  0.42800E+00 ppm1      8.234 ppm2      3.000
 OR { 3603}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HB1 ")
 ASSI { 3177}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HB2 ")
      2.700     0.900     0.900 peak  3177 weight  0.10000E+01 volume  0.16160E+01 ppm1      8.777 ppm2      1.891
 ASSI { 2919}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG21")
      2.800     1.000     1.000 peak  2919 weight  0.10000E+01 volume  0.17480E+01 ppm1      8.993 ppm2      0.482
 OR { 2919}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG22")
 OR { 2919}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG23")
 ASSI { 3513}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "97  " and name "HN  ")
      3.300     1.400     1.400 peak  3513 weight  0.10000E+01 volume  0.30500E+00 ppm1      9.291 ppm2      8.358
 ASSI { 2660}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG12")
      3.300     1.400     1.400 peak  2660 weight  0.10000E+01 volume  0.67600E+00 ppm1      9.746 ppm2      0.492
 OR { 2660}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG11")
 OR { 2660}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 2662}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB2 ")
      3.500     1.500     1.500 peak  2662 weight  0.10000E+01 volume  0.30600E+00 ppm1      9.748 ppm2      1.828
 ASSI { 2817}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA1 ")
      2.400     0.700     0.700 peak  2817 weight  0.10000E+01 volume  0.26290E+01 ppm1      9.144 ppm2      4.000
 ASSI { 2948}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG22")
      3.900     1.900     1.900 peak  2948 weight  0.10000E+01 volume  0.24600E+00 ppm1      9.850 ppm2      1.116
 OR { 2948}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG23")
 OR { 2948}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG21")
 ASSI { 3381}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG2 ")
      3.100     1.200     1.200 peak  3381 weight  0.10000E+01 volume  0.64500E+00 ppm1      9.362 ppm2      1.385
 ASSI { 3377}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA  ")
      2.800     1.000     1.000 peak  3377 weight  0.10000E+01 volume  0.89300E+00 ppm1      9.363 ppm2      4.228
 ASSI { 2834}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
      3.600     1.600     1.600 peak  2834 weight  0.10000E+01 volume  0.27800E+00 ppm1      9.115 ppm2      2.900
 ASSI { 2830}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG12")
      3.400     1.400     1.400 peak  2830 weight  0.10000E+01 volume  0.45400E+00 ppm1      9.120 ppm2      0.694
 ASSI { 2836}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "42  " and name "HN  ")
      3.800     1.800     1.800 peak  2836 weight  0.10000E+01 volume  0.14100E+00 ppm1      9.116 ppm2      8.760
 ASSI { 2602}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
      2.200     0.600     0.600 peak  2602 weight  0.10000E+01 volume  0.41460E+01 ppm1      9.434 ppm2      4.907
 ASSI { 3622}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HH2 ")
      4.300     2.300     1.700 peak  3622 weight  0.10000E+01 volume  0.21100E+00 ppm1      9.734 ppm2      7.132
 ASSI {  718}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HD1 ")
      3.400     1.400     1.400 peak   718 weight  0.10000E+01 volume  0.40200E+00 ppm1      9.735 ppm2      1.163
 ASSI { 3438}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HA  ")
      2.900     1.100     1.100 peak  3438 weight  0.10000E+01 volume  0.74900E+00 ppm1      9.059 ppm2      4.362
 ASSI { 3542}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "86  " and name "HG2 ")
      3.400     1.400     1.400 peak  3542 weight  0.10000E+01 volume  0.51600E+00 ppm1      7.886 ppm2      1.387
 ASSI { 3541}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "86  " and name "HD2 ")
      3.200     1.300     1.300 peak  3541 weight  0.10000E+01 volume  0.72200E+00 ppm1      7.886 ppm2      3.152
 ASSI { 3699}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "84  " and name "HG23")
      3.500     1.500     1.500 peak  3699 weight  0.10000E+01 volume  0.43600E+00 ppm1      6.878 ppm2      0.794
 OR { 3699}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "84  " and name "HG21")
 ASSI { 3536}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HB1 ")
      2.800     1.000     1.000 peak  3536 weight  0.10000E+01 volume  0.11770E+01 ppm1      7.863 ppm2      1.952
 ASSI { 3134}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD1 ")
      4.200     2.200     1.800 peak  3134 weight  0.10000E+01 volume  0.22800E+00 ppm1      9.274 ppm2      7.557
 ASSI { 3113}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB1 ")
      3.000     1.100     1.100 peak  3113 weight  0.10000E+01 volume  0.85700E+00 ppm1      9.277 ppm2      3.250
 ASSI { 3126}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA2 ")
      2.800     1.000     1.000 peak  3126 weight  0.10000E+01 volume  0.90500E+00 ppm1      9.275 ppm2      3.067
 ASSI { 3046}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      2.400     0.700     0.700 peak  3046 weight  0.10000E+01 volume  0.20720E+01 ppm1      7.736 ppm2      7.329
 ASSI { 2594}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
      3.500     1.500     1.500 peak  2594 weight  0.10000E+01 volume  0.39900E+00 ppm1      7.618 ppm2      0.515
 OR { 2594}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG12")
 OR { 2594}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 2594}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 3293}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "77  " and name "HA  ")
      2.400     0.700     0.700 peak  3293 weight  0.10000E+01 volume  0.26370E+01 ppm1      8.799 ppm2      4.686
 ASSI { 3446}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA1 ")
      2.600     0.800     0.800 peak  3446 weight  0.10000E+01 volume  0.16820E+01 ppm1      8.499 ppm2      3.788
 ASSI { 3365}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG11")
      2.900     1.100     1.100 peak  3365 weight  0.10000E+01 volume  0.13450E+01 ppm1      7.513 ppm2      0.492
 OR { 3365}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 3365}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 3366}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "84  " and name "HA  ")
      3.000     1.100     1.100 peak  3366 weight  0.10000E+01 volume  0.62300E+00 ppm1      7.517 ppm2      4.335
 ASSI { 3194}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HB1 ")
      3.400     1.400     1.400 peak  3194 weight  0.10000E+01 volume  0.39200E+00 ppm1      8.476 ppm2      2.188
 ASSI { 2355}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "106 " and name "HD2 ")
      4.200     2.200     1.800 peak  2355 weight  0.10000E+01 volume  0.22700E+00 ppm1      8.707 ppm2      6.710
 OR { 2355}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "106 " and name "HE2 ")
 ASSI { 2955}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      2.900     1.100     1.100 peak  2955 weight  0.10000E+01 volume  0.77300E+00 ppm1      8.579 ppm2      4.364
 ASSI { 3654}
     (segid "    " and resid "29  " and name "HE21")
     (segid "    " and resid "30  " and name "HN  ")
      3.400     1.400     1.400 peak  3654 weight  0.10000E+01 volume  0.26500E+00 ppm1      7.545 ppm2      8.261
 ASSI { 3660}
     (segid "    " and resid "108 " and name "HE21")
     (segid "    " and resid "108 " and name "HB1 ")
      4.200     2.200     1.800 peak  3660 weight  0.10000E+01 volume  0.11100E+00 ppm1      7.665 ppm2      2.228
 ASSI { 2360}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
      3.100     1.200     1.200 peak  2360 weight  0.10000E+01 volume  0.65600E+00 ppm1      6.573 ppm2      1.380
 ASSI { 3163}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD22")
      4.300     2.300     1.700 peak  3163 weight  0.10000E+01 volume  0.13200E+00 ppm1      9.078 ppm2      0.302
 OR { 3163}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD21")
 OR { 3163}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD23")
 ASSI { 3345}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "81  " and name "HA  ")
      3.400     1.400     1.400 peak  3345 weight  0.10000E+01 volume  0.28800E+00 ppm1      7.667 ppm2      4.631
 ASSI { 2537}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
      3.800     1.800     1.800 peak  2537 weight  0.10000E+01 volume  0.18700E+00 ppm1      7.829 ppm2      3.550
 ASSI { 2535}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG11")
      4.100     2.100     1.900 peak  2535 weight  0.10000E+01 volume  0.17900E+00 ppm1      7.835 ppm2      0.702
 OR { 2535}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 2535}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG12")
 OR { 2535}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG21")
 ASSI { 3362}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB1 ")
      4.000     2.000     2.000 peak  3362 weight  0.10000E+01 volume  0.14300E+00 ppm1      7.264 ppm2      3.701
 ASSI { 3358}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG11")
      3.700     1.700     1.700 peak  3358 weight  0.10000E+01 volume  0.34600E+00 ppm1      7.259 ppm2      0.486
 OR { 3358}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG12")
 OR { 3358}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "85  " and name "HG13")
 ASSI { 3355}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD13")
      3.300     1.400     1.400 peak  3355 weight  0.10000E+01 volume  0.67300E+00 ppm1      7.259 ppm2      0.671
 OR { 3355}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD11")
 OR { 3355}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HD12")
 ASSI { 3025}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA  ")
      2.900     1.100     1.100 peak  3025 weight  0.10000E+01 volume  0.78200E+00 ppm1      7.420 ppm2      4.897
 ASSI { 2778}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
      3.200     1.300     1.300 peak  2778 weight  0.10000E+01 volume  0.60200E+00 ppm1      8.436 ppm2      3.779
 ASSI { 3068}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA2 ")
      3.100     1.200     1.200 peak  3068 weight  0.10000E+01 volume  0.50500E+00 ppm1      7.329 ppm2      3.541
 ASSI { 3094}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD2 ")
      3.400     1.400     1.400 peak  3094 weight  0.10000E+01 volume  0.83200E+00 ppm1      8.665 ppm2      7.020
 OR { 3094}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD1 ")
 ASSI { 2577}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
      2.900     1.100     1.100 peak  2577 weight  0.10000E+01 volume  0.10590E+01 ppm1      8.560 ppm2      1.785
 ASSI { 2693}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      3.600     1.600     1.600 peak  2693 weight  0.10000E+01 volume  0.21000E+00 ppm1      8.305 ppm2      5.254
 ASSI { 2691}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      3.300     1.400     1.400 peak  2691 weight  0.10000E+01 volume  0.32200E+00 ppm1      8.300 ppm2      9.151
 ASSI { 3316}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "78  " and name "HA1 ")
      2.900     1.100     1.100 peak  3316 weight  0.10000E+01 volume  0.78600E+00 ppm1      8.499 ppm2      4.191
 ASSI { 2442}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "97  " and name "HA  ")
      3.300     1.400     1.400 peak  2442 weight  0.10000E+01 volume  0.36400E+00 ppm1      9.367 ppm2      5.091
 ASSI { 2443}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA  ")
      2.400     0.700     0.700 peak  2443 weight  0.10000E+01 volume  0.24760E+01 ppm1      9.368 ppm2      5.206
 ASSI { 3405}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "89  " and name "HA  ")
      2.600     0.800     0.800 peak  3405 weight  0.10000E+01 volume  0.15510E+01 ppm1      7.658 ppm2      4.526
 ASSI { 2450}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "99  " and name "HA  ")
      3.100     1.200     1.200 peak  2450 weight  0.10000E+01 volume  0.50500E+00 ppm1      9.367 ppm2      4.594
 ASSI { 3560}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "103 " and name "HN  ")
      3.000     1.100     1.100 peak  3560 weight  0.10000E+01 volume  0.65800E+00 ppm1      8.494 ppm2      7.443
 ASSI { 3550}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB1 ")
      2.700     0.900     0.900 peak  3550 weight  0.10000E+01 volume  0.16840E+01 ppm1      8.490 ppm2      2.987
 ASSI { 3579}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "104 " and name "HB2 ")
      2.700     0.900     0.900 peak  3579 weight  0.10000E+01 volume  0.15330E+01 ppm1      7.655 ppm2      2.440
 ASSI { 3569}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HA  ")
      3.000     1.100     1.100 peak  3569 weight  0.10000E+01 volume  0.70500E+00 ppm1      7.444 ppm2      4.349
 ASSI { 2630}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
      3.600     1.600     1.600 peak  2630 weight  0.10000E+01 volume  0.20200E+00 ppm1      8.406 ppm2      8.815
 ASSI { 2621}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG13")
      2.700     0.900     0.900 peak  2621 weight  0.10000E+01 volume  0.23470E+01 ppm1      8.404 ppm2      0.850
 OR { 2621}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG11")
 OR { 2621}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG12")
 ASSI { 2412}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "8   " and name "HN  ")
      4.100     2.100     1.900 peak  2412 weight  0.10000E+01 volume  0.97000E-01 ppm1      8.284 ppm2      6.563
 ASSI { 2408}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "7   " and name "HN  ")
      3.500     1.500     1.500 peak  2408 weight  0.10000E+01 volume  0.23400E+00 ppm1      8.276 ppm2      4.014
 ASSI { 2440}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      3.700     1.700     1.700 peak  2440 weight  0.10000E+01 volume  0.18400E+00 ppm1      7.814 ppm2      7.406
 ASSI { 2428}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HN  ")
      2.300     0.700     0.700 peak  2428 weight  0.10000E+01 volume  0.32270E+01 ppm1      7.820 ppm2      9.278
 ASSI { 2438}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HB1 ")
      3.200     1.300     1.300 peak  2438 weight  0.10000E+01 volume  0.54400E+00 ppm1      7.821 ppm2      1.990
 ASSI { 3285}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "76  " and name "HA  ")
      2.700     0.900     0.900 peak  3285 weight  0.10000E+01 volume  0.12370E+01 ppm1      7.892 ppm2      4.317
 ASSI { 3217}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "68  " and name "HA  ")
      2.500     0.800     0.800 peak  3217 weight  0.10000E+01 volume  0.18590E+01 ppm1      7.926 ppm2      4.621
 ASSI { 3221}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      2.600     0.800     0.800 peak  3221 weight  0.10000E+01 volume  0.13740E+01 ppm1      7.926 ppm2      4.476
 ASSI { 3222}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD1 ")
      3.500     1.500     1.500 peak  3222 weight  0.10000E+01 volume  0.79400E+00 ppm1      7.926 ppm2      6.859
 OR { 3222}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD2 ")
 ASSI { 2973}
     (segid "    " and resid "86  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      2.400     0.700     0.700 peak  2973 weight  0.10000E+01 volume  0.25040E+01 ppm1      8.598 ppm2      5.331
 ASSI { 2890}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      2.700     0.900     0.900 peak  2890 weight  0.10000E+01 volume  0.12900E+01 ppm1      8.085 ppm2      4.252
 ASSI { 2887}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB3 ")
      2.600     0.800     0.800 peak  2887 weight  0.10000E+01 volume  0.25240E+01 ppm1      8.081 ppm2      1.388
 OR { 2887}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 2425}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HB1 ")
      3.000     1.100     1.100 peak  2425 weight  0.10000E+01 volume  0.82700E+00 ppm1      9.274 ppm2      2.894
 ASSI { 2423}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
      2.800     1.000     1.000 peak  2423 weight  0.10000E+01 volume  0.16960E+01 ppm1      9.276 ppm2      1.714
 OR { 2423}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
 OR { 2423}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB3 ")
 ASSI { 2466}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD12")
      3.500     1.500     1.500 peak  2466 weight  0.10000E+01 volume  0.48600E+00 ppm1      8.885 ppm2      0.733
 OR { 2466}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD13")
 OR { 2466}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD11")
 OR { 2466}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD21")
 OR { 2466}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HD23")
 ASSI { 2560}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD2 ")
      4.000     2.000     2.000 peak  2560 weight  0.10000E+01 volume  0.35200E+00 ppm1      8.169 ppm2      7.122
 OR { 2560}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "50  " and name "HE2 ")
 ASSI { 2571}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
      3.500     1.500     1.500 peak  2571 weight  0.10000E+01 volume  0.34400E+00 ppm1      9.129 ppm2      1.485
 ASSI { 2569}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
      3.100     1.200     1.200 peak  2569 weight  0.10000E+01 volume  0.57900E+00 ppm1      9.128 ppm2      4.337
 ASSI { 2566}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG11")
      3.100     1.200     1.200 peak  2566 weight  0.10000E+01 volume  0.70900E+00 ppm1      9.129 ppm2      1.755
 ASSI { 3079}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      2.800     1.000     1.000 peak  3079 weight  0.10000E+01 volume  0.94300E+00 ppm1      7.949 ppm2      7.330
 ASSI { 3109}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB2 ")
      3.000     1.100     1.100 peak  3109 weight  0.10000E+01 volume  0.88900E+00 ppm1      8.769 ppm2      2.478
 ASSI { 3112}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HA  ")
      3.000     1.100     1.100 peak  3112 weight  0.10000E+01 volume  0.67700E+00 ppm1      8.769 ppm2      5.304
 ASSI { 3236}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "92  " and name "HA  ")
      2.800     1.000     1.000 peak  3236 weight  0.10000E+01 volume  0.97300E+00 ppm1      8.172 ppm2      4.619
 ASSI { 3538}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "101 " and name "HA  ")
      3.100     1.200     1.200 peak  3538 weight  0.10000E+01 volume  0.51000E+00 ppm1      9.122 ppm2      4.943
 ASSI { 2791}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB2 ")
      2.900     1.100     1.100 peak  2791 weight  0.10000E+01 volume  0.10680E+01 ppm1      9.143 ppm2      1.464
 ASSI { 2760}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HG2 ")
      3.000     1.100     1.100 peak  2760 weight  0.10000E+01 volume  0.79600E+00 ppm1      9.328 ppm2      1.645
 ASSI { 2768}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "35  " and name "HB1 ")
      3.700     1.700     1.700 peak  2768 weight  0.10000E+01 volume  0.23200E+00 ppm1      9.325 ppm2      3.067
 OR { 2768}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "35  " and name "HB2 ")
 ASSI { 2853}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
      2.500     0.800     0.800 peak  2853 weight  0.10000E+01 volume  0.27400E+01 ppm1      8.994 ppm2      1.450
 ASSI { 2863}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB2 ")
      3.700     1.700     1.700 peak  2863 weight  0.10000E+01 volume  0.21800E+00 ppm1      8.990 ppm2      2.641
 OR { 2863}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB1 ")
 ASSI { 2855}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      3.800     1.800     1.800 peak  2855 weight  0.10000E+01 volume  0.13300E+00 ppm1      8.756 ppm2      8.081
 ASSI { 3424}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HG1 ")
      3.200     1.300     1.300 peak  3424 weight  0.10000E+01 volume  0.58000E+00 ppm1      9.006 ppm2      2.252
 OR { 3424}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HG2 ")
 ASSI { 3423}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG21")
      3.200     1.300     1.300 peak  3423 weight  0.10000E+01 volume  0.86400E+00 ppm1      9.004 ppm2      1.031
 OR { 3423}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG22")
 OR { 3423}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG23")
 ASSI { 2835}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG22")
      2.800     1.000     1.000 peak  2835 weight  0.10000E+01 volume  0.19310E+01 ppm1      8.756 ppm2      0.695
 OR { 2835}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG23")
 OR { 2835}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG21")
 ASSI { 2843}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB1 ")
      2.900     1.100     1.100 peak  2843 weight  0.10000E+01 volume  0.97500E+00 ppm1      8.757 ppm2      3.190
 ASSI { 2913}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
      3.400     1.400     1.400 peak  2913 weight  0.10000E+01 volume  0.29200E+00 ppm1      8.390 ppm2      8.998
 ASSI { 2909}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      2.800     1.000     1.000 peak  2909 weight  0.10000E+01 volume  0.90200E+00 ppm1      8.389 ppm2      4.488
 ASSI { 2915}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG21")
      4.500     2.500     1.500 peak  2915 weight  0.10000E+01 volume  0.10000E+00 ppm1      8.388 ppm2      0.487
 OR { 2915}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG22")
 OR { 2915}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG23")
 ASSI { 3267}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB1 ")
      2.500     0.800     0.800 peak  3267 weight  0.10000E+01 volume  0.38680E+01 ppm1      8.091 ppm2      1.254
 OR { 3267}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 3267}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB3 ")
 ASSI { 3271}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HA  ")
      2.700     0.900     0.900 peak  3271 weight  0.10000E+01 volume  0.13290E+01 ppm1      8.091 ppm2      4.125
 ASSI { 2494}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
      3.200     1.300     1.300 peak  2494 weight  0.10000E+01 volume  0.43000E+00 ppm1     10.343 ppm2      4.514
 ASSI { 2700}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
      3.000     1.100     1.100 peak  2700 weight  0.10000E+01 volume  0.82000E+00 ppm1      9.144 ppm2      2.894
 ASSI { 2706}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "32  " and name "HN  ")
      3.400     1.400     1.400 peak  2706 weight  0.10000E+01 volume  0.26000E+00 ppm1      9.140 ppm2      7.988
 ASSI { 3516}
     (segid "    " and resid "99  " and name "HN  ")
     (segid "    " and resid "98  " and name "HA  ")
      2.100     0.600     0.600 peak  3516 weight  0.10000E+01 volume  0.58550E+01 ppm1      8.514 ppm2      4.428
 ASSI { 2366}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HD2 ")
      3.500     1.500     1.500 peak  2366 weight  0.10000E+01 volume  0.76300E+00 ppm1      9.178 ppm2      6.919
 OR { 2366}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 2368}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      3.000     1.100     1.100 peak  2368 weight  0.10000E+01 volume  0.63200E+00 ppm1      9.180 ppm2      4.892
 ASSI { 3181}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG13")
      3.800     1.800     1.800 peak  3181 weight  0.10000E+01 volume  0.26000E+00 ppm1      8.783 ppm2      0.479
 OR { 3181}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG21")
 OR { 3181}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG11")
 OR { 3181}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG12")
 ASSI { 3289}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB1 ")
      2.500     0.800     0.800 peak  3289 weight  0.10000E+01 volume  0.25090E+01 ppm1      8.155 ppm2      1.312
 OR { 3289}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HB2 ")
 ASSI { 3287}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "76  " and name "HA  ")
      2.400     0.700     0.700 peak  3287 weight  0.10000E+01 volume  0.27900E+01 ppm1      8.154 ppm2      4.308
 ASSI { 2377}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG21")
      2.700     0.900     0.900 peak  2377 weight  0.10000E+01 volume  0.19740E+01 ppm1      8.971 ppm2      1.115
 OR { 2377}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG22")
 OR { 2377}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG23")
 ASSI { 2379}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "23  " and name "HN  ")
      3.000     1.100     1.100 peak  2379 weight  0.10000E+01 volume  0.53300E+00 ppm1      8.970 ppm2      7.618
 ASSI { 2656}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
      2.500     0.800     0.800 peak  2656 weight  0.10000E+01 volume  0.25280E+01 ppm1      9.750 ppm2      1.585
 ASSI { 2658}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
      3.100     1.200     1.200 peak  2658 weight  0.10000E+01 volume  0.98700E+00 ppm1      9.749 ppm2      1.389
 OR { 2658}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB3 ")
 OR { 2658}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 2825}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
      2.800     1.000     1.000 peak  2825 weight  0.10000E+01 volume  0.11580E+01 ppm1      9.141 ppm2      2.010
 ASSI { 2720}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HE1 ")
      4.900     3.000     1.100 peak  2720 weight  0.10000E+01 volume  0.10400E+00 ppm1      7.983 ppm2      6.917
 OR { 2720}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HE2 ")
 ASSI { 2824}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG1 ")
      2.700     0.900     0.900 peak  2824 weight  0.10000E+01 volume  0.15350E+01 ppm1      9.144 ppm2      1.848
 OR { 2824}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
 ASSI { 2942}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG12")
      3.200     1.300     1.300 peak  2942 weight  0.10000E+01 volume  0.75200E+00 ppm1      9.846 ppm2      0.688
 OR { 2942}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG13")
 OR { 2942}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG11")
 ASSI { 2943}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA2 ")
      3.200     1.300     1.300 peak  2943 weight  0.10000E+01 volume  0.45800E+00 ppm1      9.852 ppm2      4.704
 ASSI { 2945}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB1 ")
      3.200     1.300     1.300 peak  2945 weight  0.10000E+01 volume  0.59300E+00 ppm1      9.846 ppm2      3.031
 ASSI { 2639}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG22")
      2.700     0.900     0.900 peak  2639 weight  0.10000E+01 volume  0.24300E+01 ppm1      8.810 ppm2      0.848
 OR { 2639}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG21")
 OR { 2639}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG23")
 ASSI { 2831}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
      3.300     1.400     1.400 peak  2831 weight  0.10000E+01 volume  0.46900E+00 ppm1      9.119 ppm2      2.636
 ASSI { 2822}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB  ")
      2.700     0.900     0.900 peak  2822 weight  0.10000E+01 volume  0.16810E+01 ppm1      9.118 ppm2      1.482
 ASSI { 3380}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HG1 ")
      2.800     1.000     1.000 peak  3380 weight  0.10000E+01 volume  0.11590E+01 ppm1      9.362 ppm2      1.653
 OR { 3380}
     (segid "    " and resid "87  " and name "HN  ")
     (segid "    " and resid "86  " and name "HB2 ")
 ASSI { 3616}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HB1 ")
      3.000     1.100     1.100 peak  3616 weight  0.10000E+01 volume  0.84600E+00 ppm1      8.474 ppm2      2.219
 ASSI {  716}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HD2 ")
      3.300     1.400     1.400 peak   716 weight  0.10000E+01 volume  0.49800E+00 ppm1      9.728 ppm2      0.988
 ASSI {  715}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HB2 ")
      2.900     1.100     1.100 peak   715 weight  0.10000E+01 volume  0.93700E+00 ppm1      9.735 ppm2      1.411
 ASSI { 2730}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "32  " and name "HG1 ")
      4.200     2.200     1.800 peak  2730 weight  0.10000E+01 volume  0.10500E+00 ppm1      7.863 ppm2      2.488
 ASSI { 3435}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD12")
      3.000     1.100     1.100 peak  3435 weight  0.10000E+01 volume  0.12020E+01 ppm1      9.062 ppm2      0.772
 OR { 3435}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD21")
 OR { 3435}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD23")
 OR { 3435}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "91  " and name "HD13")
 ASSI { 3537}
     (segid "    " and resid "86  " and name "HE  ")
     (segid "    " and resid "86  " and name "HD1 ")
      3.200     1.300     1.300 peak  3537 weight  0.10000E+01 volume  0.76100E+00 ppm1      7.887 ppm2      3.277
 ASSI { 3539}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "99  " and name "HB2 ")
      2.800     1.000     1.000 peak  3539 weight  0.10000E+01 volume  0.11340E+01 ppm1      7.861 ppm2      1.813
 ASSI { 3131}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      3.200     1.300     1.300 peak  3131 weight  0.10000E+01 volume  0.43900E+00 ppm1      9.275 ppm2      4.824
 ASSI { 3129}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG12")
      3.400     1.400     1.400 peak  3129 weight  0.10000E+01 volume  0.55000E+00 ppm1      9.273 ppm2      0.680
 OR { 3129}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG11")
 OR { 3129}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG13")
 ASSI { 3051}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA1 ")
      2.700     0.900     0.900 peak  3051 weight  0.10000E+01 volume  0.11050E+01 ppm1      7.739 ppm2      4.678
 ASSI { 2592}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
      3.200     1.300     1.300 peak  2592 weight  0.10000E+01 volume  0.47100E+00 ppm1      7.624 ppm2      3.515
 ASSI { 2588}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB  ")
      2.800     1.000     1.000 peak  2588 weight  0.10000E+01 volume  0.12590E+01 ppm1      7.617 ppm2      2.512
 ASSI { 2742}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "38  " and name "HN  ")
      3.100     1.200     1.200 peak  2742 weight  0.10000E+01 volume  0.46400E+00 ppm1      7.408 ppm2      8.441
 ASSI { 2741}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HA  ")
      3.200     1.300     1.300 peak  2741 weight  0.10000E+01 volume  0.46200E+00 ppm1      7.407 ppm2      4.234
 ASSI { 3300}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
      3.200     1.300     1.300 peak  3300 weight  0.10000E+01 volume  0.80400E+00 ppm1      8.799 ppm2      0.916
 OR { 3300}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
 OR { 3300}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD13")
 ASSI { 3301}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "78  " and name "HA1 ")
      3.000     1.100     1.100 peak  3301 weight  0.10000E+01 volume  0.61800E+00 ppm1      8.801 ppm2      4.186
 ASSI { 3302}
     (segid "    " and resid "78  " and name "HN  ")
     (segid "    " and resid "78  " and name "HA2 ")
      3.000     1.100     1.100 peak  3302 weight  0.10000E+01 volume  0.65300E+00 ppm1      8.797 ppm2      3.698
 ASSI { 3444}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA2 ")
      2.400     0.700     0.700 peak  3444 weight  0.10000E+01 volume  0.23750E+01 ppm1      8.497 ppm2      3.058
 ASSI { 3445}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
      2.900     1.100     1.100 peak  3445 weight  0.10000E+01 volume  0.13130E+01 ppm1      8.496 ppm2      0.777
 OR { 3445}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 3445}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 3449}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "95  " and name "HN  ")
      3.100     1.200     1.200 peak  3449 weight  0.10000E+01 volume  0.45300E+00 ppm1      8.497 ppm2      7.503
 ASSI { 3666}
     (segid "    " and resid "89  " and name "HE22")
     (segid "    " and resid "89  " and name "HG1 ")
      3.300     1.400     1.400 peak  3666 weight  0.10000E+01 volume  0.43600E+00 ppm1      6.747 ppm2      2.247
 OR { 3666}
     (segid "    " and resid "89  " and name "HE22")
     (segid "    " and resid "89  " and name "HG2 ")
 ASSI { 3139}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA2 ")
      2.700     0.900     0.900 peak  3139 weight  0.10000E+01 volume  0.11370E+01 ppm1      9.416 ppm2      3.058
 ASSI { 3033}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA2 ")
      2.400     0.700     0.700 peak  3033 weight  0.10000E+01 volume  0.27290E+01 ppm1      9.140 ppm2      3.843
 ASSI { 3191}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG2 ")
      3.100     1.200     1.200 peak  3191 weight  0.10000E+01 volume  0.74800E+00 ppm1      8.475 ppm2      2.358
 OR { 3191}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG1 ")
 ASSI { 2264}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HA  ")
      2.200     0.600     0.600 peak  2264 weight  0.10000E+01 volume  0.39130E+01 ppm1      8.707 ppm2      4.070
 ASSI { 2966}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      3.300     1.400     1.400 peak  2966 weight  0.10000E+01 volume  0.39000E+00 ppm1      8.579 ppm2      4.485
 ASSI { 2958}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB2 ")
      3.200     1.300     1.300 peak  2958 weight  0.10000E+01 volume  0.56100E+00 ppm1      8.577 ppm2      2.805
 ASSI { 2358}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB2 ")
      2.800     1.000     1.000 peak  2358 weight  0.10000E+01 volume  0.11350E+01 ppm1      6.569 ppm2      1.239
 ASSI { 3161}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      3.500     1.500     1.500 peak  3161 weight  0.10000E+01 volume  0.21400E+00 ppm1      9.076 ppm2      9.845
 ASSI { 3335}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "83  " and name "HA  ")
      2.400     0.700     0.700 peak  3335 weight  0.10000E+01 volume  0.23870E+01 ppm1      7.668 ppm2      4.025
 ASSI { 2538}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG22")
      4.300     2.300     1.700 peak  2538 weight  0.10000E+01 volume  0.13100E+00 ppm1      7.837 ppm2      0.911
 OR { 2538}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG23")
 OR { 2538}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG21")
 ASSI { 2534}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB2 ")
      3.600     1.600     1.600 peak  2534 weight  0.10000E+01 volume  0.28900E+00 ppm1      7.836 ppm2      2.778
 ASSI { 3357}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "83  " and name "HA  ")
      3.000     1.100     1.100 peak  3357 weight  0.10000E+01 volume  0.60100E+00 ppm1      7.260 ppm2      4.026
 ASSI { 3343}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "85  " and name "HN  ")
      2.400     0.700     0.700 peak  3343 weight  0.10000E+01 volume  0.23200E+01 ppm1      7.262 ppm2      7.516
 ASSI { 3363}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB2 ")
      3.800     1.800     1.800 peak  3363 weight  0.10000E+01 volume  0.18900E+00 ppm1      7.261 ppm2      3.867
 ASSI { 3028}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "12  " and name "HN  ")
      3.700     1.700     1.700 peak  3028 weight  0.10000E+01 volume  0.15500E+00 ppm1      7.422 ppm2      8.892
 ASSI { 2783}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "37  " and name "HA  ")
      3.500     1.500     1.500 peak  2783 weight  0.10000E+01 volume  0.27900E+00 ppm1      8.437 ppm2      4.301
 ASSI { 2687}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      3.200     1.300     1.300 peak  2687 weight  0.10000E+01 volume  0.50200E+00 ppm1      8.300 ppm2      3.193
 OR { 2687}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD1 ")
 OR { 2687}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD2 ")
 ASSI { 3562}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "6   " and name "HA  ")
      3.100     1.200     1.200 peak  3562 weight  0.10000E+01 volume  0.58300E+00 ppm1      3.985 ppm2      2.910
 ASSI { 3412}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      3.100     1.200     1.200 peak  3412 weight  0.10000E+01 volume  0.54600E+00 ppm1      7.656 ppm2      5.283
 ASSI { 2446}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG2 ")
      2.800     1.000     1.000 peak  2446 weight  0.10000E+01 volume  0.13470E+01 ppm1      9.368 ppm2      1.164
 ASSI { 3403}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "88  " and name "HN  ")
      2.200     0.600     0.600 peak  3403 weight  0.10000E+01 volume  0.42470E+01 ppm1      7.657 ppm2      9.043
 ASSI { 3408}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "88  " and name "HB2 ")
      2.800     1.000     1.000 peak  3408 weight  0.10000E+01 volume  0.12980E+01 ppm1      7.657 ppm2      2.664
 OR { 3408}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "88  " and name "HB1 ")
 ASSI { 3413}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB1 ")
      3.500     1.500     1.500 peak  3413 weight  0.10000E+01 volume  0.30200E+00 ppm1      7.655 ppm2      3.807
 OR { 3413}
     (segid "    " and resid "89  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB2 ")
 ASSI { 2807}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
      3.100     1.200     1.200 peak  2807 weight  0.10000E+01 volume  0.74600E+00 ppm1      7.821 ppm2      1.644
 OR { 2807}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HG  ")
 ASSI { 3549}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "101 " and name "HA  ")
      2.500     0.800     0.800 peak  3549 weight  0.10000E+01 volume  0.18860E+01 ppm1      8.490 ppm2      4.941
 ASSI { 3586}
     (segid "    " and resid "104 " and name "HN  ")
     (segid "    " and resid "103 " and name "HB2 ")
      3.700     1.700     1.700 peak  3586 weight  0.10000E+01 volume  0.24500E+00 ppm1      7.654 ppm2      3.258
 ASSI { 2520}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG22")
      4.200     2.200     1.800 peak  2520 weight  0.10000E+01 volume  0.15900E+00 ppm1      8.996 ppm2      0.900
 OR { 2520}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG23")
 OR { 2520}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG21")
 ASSI { 2505}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HA  ")
      2.500     0.800     0.800 peak  2505 weight  0.10000E+01 volume  0.20550E+01 ppm1      8.998 ppm2      4.660
 ASSI { 2519}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
      3.700     1.700     1.700 peak  2519 weight  0.10000E+01 volume  0.15400E+00 ppm1      8.997 ppm2      8.441
 ASSI { 2489}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
      4.400     2.400     1.600 peak  2489 weight  0.10000E+01 volume  0.11700E+00 ppm1      9.172 ppm2      0.509
 OR { 2489}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 2489}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG12")
 OR { 2489}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
 ASSI { 3568}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HD1 ")
      3.600     1.600     1.600 peak  3568 weight  0.10000E+01 volume  0.67100E+00 ppm1      7.446 ppm2      7.101
 ASSI { 3576}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "101 " and name "HB2 ")
      3.900     1.900     1.900 peak  3576 weight  0.10000E+01 volume  0.17300E+00 ppm1      7.447 ppm2      2.621
 ASSI { 3564}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "104 " and name "HN  ")
      2.600     0.800     0.800 peak  3564 weight  0.10000E+01 volume  0.14020E+01 ppm1      7.445 ppm2      7.653
 ASSI { 2620}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      2.300     0.700     0.700 peak  2620 weight  0.10000E+01 volume  0.29140E+01 ppm1      8.403 ppm2      5.284
 ASSI { 2404}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HA  ")
      2.900     1.100     1.100 peak  2404 weight  0.10000E+01 volume  0.85800E+00 ppm1      8.275 ppm2      2.904
 ASSI { 2437}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HB1 ")
      3.100     1.200     1.200 peak  2437 weight  0.10000E+01 volume  0.66000E+00 ppm1      7.818 ppm2      2.892
 ASSI { 2432}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HB2 ")
      3.000     1.100     1.100 peak  2432 weight  0.10000E+01 volume  0.84400E+00 ppm1      7.817 ppm2      2.548
 ASSI { 3210}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB2 ")
      2.400     0.700     0.700 peak  3210 weight  0.10000E+01 volume  0.30430E+01 ppm1      7.923 ppm2      2.837
 OR { 3210}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 2542}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
      3.700     1.700     1.700 peak  2542 weight  0.10000E+01 volume  0.22000E+00 ppm1      8.435 ppm2      4.096
 ASSI { 2539}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      2.600     0.800     0.800 peak  2539 weight  0.10000E+01 volume  0.13960E+01 ppm1      8.434 ppm2      4.725
 ASSI { 2889}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB1 ")
      2.500     0.800     0.800 peak  2889 weight  0.10000E+01 volume  0.22920E+01 ppm1      8.081 ppm2      2.124
 ASSI { 2982}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB1 ")
      3.100     1.200     1.200 peak  2982 weight  0.10000E+01 volume  0.64800E+00 ppm1      8.611 ppm2      3.968
 ASSI { 2465}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HA  ")
      3.100     1.200     1.200 peak  2465 weight  0.10000E+01 volume  0.53600E+00 ppm1      8.892 ppm2      5.258
 ASSI { 2978}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "12  " and name "HN  ")
      2.800     1.000     1.000 peak  2978 weight  0.10000E+01 volume  0.80900E+00 ppm1      8.611 ppm2      8.893
 ASSI { 2467}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA  ")
      3.200     1.300     1.300 peak  2467 weight  0.10000E+01 volume  0.40700E+00 ppm1      8.885 ppm2      4.356
 ASSI { 2463}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA  ")
      2.600     0.800     0.800 peak  2463 weight  0.10000E+01 volume  0.15630E+01 ppm1      8.888 ppm2      4.895
 ASSI { 2472}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
      4.100     2.100     1.900 peak  2472 weight  0.10000E+01 volume  0.13600E+00 ppm1      8.880 ppm2      3.625
 ASSI { 2561}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB2 ")
      3.600     1.600     1.600 peak  2561 weight  0.10000E+01 volume  0.29900E+00 ppm1      8.169 ppm2      3.783
 ASSI { 3468}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG2 ")
      2.600     0.800     0.800 peak  3468 weight  0.10000E+01 volume  0.19140E+01 ppm1      7.504 ppm2      1.254
 OR { 3468}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "95  " and name "HG1 ")
 ASSI { 2565}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      2.800     1.000     1.000 peak  2565 weight  0.10000E+01 volume  0.10600E+01 ppm1      9.128 ppm2      4.487
 ASSI { 3076}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HG  ")
      2.600     0.800     0.800 peak  3076 weight  0.10000E+01 volume  0.20910E+01 ppm1      7.947 ppm2      1.286
 ASSI { 3073}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      2.300     0.700     0.700 peak  3073 weight  0.10000E+01 volume  0.35920E+01 ppm1      7.950 ppm2      0.912
 OR { 3073}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 3075}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      2.400     0.700     0.700 peak  3075 weight  0.10000E+01 volume  0.19950E+01 ppm1      7.948 ppm2      8.663
 ASSI { 3167}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "65  " and name "HB  ")
      2.800     1.000     1.000 peak  3167 weight  0.10000E+01 volume  0.11650E+01 ppm1      8.968 ppm2      2.256
 ASSI { 3106}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD22")
      3.400     1.400     1.400 peak  3106 weight  0.10000E+01 volume  0.59500E+00 ppm1      8.970 ppm2      0.913
 OR { 3106}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD12")
 OR { 3106}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD23")
 OR { 3106}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD11")
 ASSI { 3169}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB1 ")
      2.900     1.100     1.100 peak  3169 weight  0.10000E+01 volume  0.10840E+01 ppm1      8.969 ppm2      3.803
 OR { 3169}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 3238}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HN  ")
      2.900     1.100     1.100 peak  3238 weight  0.10000E+01 volume  0.77300E+00 ppm1      8.146 ppm2      7.938
 ASSI { 3237}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB1 ")
      2.900     1.100     1.100 peak  3237 weight  0.10000E+01 volume  0.99900E+00 ppm1      8.147 ppm2      3.017
 ASSI { 3120}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD1 ")
      4.200     2.200     1.800 peak  3120 weight  0.10000E+01 volume  0.24800E+00 ppm1      8.770 ppm2      7.542
 ASSI { 3233}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG21")
      2.900     1.100     1.100 peak  3233 weight  0.10000E+01 volume  0.13420E+01 ppm1      8.173 ppm2      1.028
 OR { 3233}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG22")
 OR { 3233}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG23")
 ASSI { 3241}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      3.300     1.400     1.400 peak  3241 weight  0.10000E+01 volume  0.37500E+00 ppm1      8.171 ppm2      4.931
 ASSI { 3005}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HB1 ")
      3.000     1.100     1.100 peak  3005 weight  0.10000E+01 volume  0.88600E+00 ppm1      8.288 ppm2      2.785
 ASSI { 3007}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA  ")
      3.000     1.100     1.100 peak  3007 weight  0.10000E+01 volume  0.59300E+00 ppm1      8.292 ppm2      4.349
 ASSI { 3001}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      2.600     0.800     0.800 peak  3001 weight  0.10000E+01 volume  0.15760E+01 ppm1      8.289 ppm2      4.818
 ASSI { 3003}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "61  " and name "HA  ")
      2.900     1.100     1.100 peak  3003 weight  0.10000E+01 volume  0.84000E+00 ppm1      8.289 ppm2      5.311
 ASSI { 3006}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD13")
      3.200     1.300     1.300 peak  3006 weight  0.10000E+01 volume  0.85500E+00 ppm1      8.290 ppm2      0.896
 OR { 3006}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD11")
 OR { 3006}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HD12")
 ASSI { 3264}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB1 ")
      3.300     1.400     1.400 peak  3264 weight  0.10000E+01 volume  0.47800E+00 ppm1      8.110 ppm2      2.775
 ASSI { 2762}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB2 ")
      3.100     1.200     1.200 peak  2762 weight  0.10000E+01 volume  0.71200E+00 ppm1      9.327 ppm2      1.490
 ASSI { 2858}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      2.800     1.000     1.000 peak  2858 weight  0.10000E+01 volume  0.94600E+00 ppm1      8.993 ppm2      4.832
 ASSI { 3322}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "83  " and name "HN  ")
      2.700     0.900     0.900 peak  3322 weight  0.10000E+01 volume  0.11210E+01 ppm1      8.659 ppm2      7.672
 ASSI { 3493}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA2 ")
      3.700     1.700     1.700 peak  3493 weight  0.10000E+01 volume  0.17500E+00 ppm1      8.545 ppm2      3.065
 ASSI { 2912}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      3.300     1.400     1.400 peak  2912 weight  0.10000E+01 volume  0.30700E+00 ppm1      8.382 ppm2      8.081
 ASSI { 2905}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG22")
      2.600     0.800     0.800 peak  2905 weight  0.10000E+01 volume  0.25510E+01 ppm1      8.387 ppm2      0.991
 OR { 2905}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG23")
 OR { 2905}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "46  " and name "HG21")
 ASSI { 3272}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
      2.900     1.100     1.100 peak  3272 weight  0.10000E+01 volume  0.10950E+01 ppm1      8.093 ppm2      1.558
 OR { 3272}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI { 2475}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB3 ")
      2.900     1.100     1.100 peak  2475 weight  0.10000E+01 volume  0.13190E+01 ppm1     10.338 ppm2      1.248
 OR { 2475}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB1 ")
 OR { 2475}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB2 ")
 ASSI { 2491}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
      3.200     1.300     1.300 peak  2491 weight  0.10000E+01 volume  0.54600E+00 ppm1     10.343 ppm2      4.095
 ASSI { 2696}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      2.300     0.700     0.700 peak  2696 weight  0.10000E+01 volume  0.28430E+01 ppm1      9.145 ppm2      4.833
 ASSI { 2699}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      2.900     1.100     1.100 peak  2699 weight  0.10000E+01 volume  0.81100E+00 ppm1      9.144 ppm2      4.606
 ASSI { 3604}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HD2 ")
      3.900     1.900     1.900 peak  3604 weight  0.10000E+01 volume  0.37700E+00 ppm1      8.233 ppm2      6.788
 ASSI { 2365}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB2 ")
      2.900     1.100     1.100 peak  2365 weight  0.10000E+01 volume  0.10190E+01 ppm1      9.180 ppm2      3.175
 ASSI { 2367}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
      3.000     1.100     1.100 peak  2367 weight  0.10000E+01 volume  0.78500E+00 ppm1      9.178 ppm2      2.473
 ASSI { 2364}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG11")
      2.800     1.000     1.000 peak  2364 weight  0.10000E+01 volume  0.17560E+01 ppm1      9.180 ppm2      0.479
 OR { 2364}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG13")
 OR { 2364}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HG12")
 ASSI { 3297}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD21")
      4.400     2.400     1.600 peak  3297 weight  0.10000E+01 volume  0.12200E+00 ppm1      8.151 ppm2      0.302
 OR { 3297}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD22")
 OR { 3297}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD23")
 ASSI { 2664}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "86  " and name "HN  ")
      3.600     1.600     1.600 peak  2664 weight  0.10000E+01 volume  0.20400E+00 ppm1      9.758 ppm2      8.602
 ASSI { 2654}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      2.400     0.700     0.700 peak  2654 weight  0.10000E+01 volume  0.22040E+01 ppm1      9.750 ppm2      4.553
 ASSI { 2712}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "32  " and name "HG2 ")
      3.000     1.100     1.100 peak  2712 weight  0.10000E+01 volume  0.84400E+00 ppm1      7.982 ppm2      2.339
 ASSI { 2711}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD1 ")
      3.500     1.500     1.500 peak  2711 weight  0.10000E+01 volume  0.75500E+00 ppm1      7.984 ppm2      7.391
 OR { 2711}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HD2 ")
 ASSI { 2717}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "32  " and name "HG1 ")
      3.300     1.400     1.400 peak  2717 weight  0.10000E+01 volume  0.44300E+00 ppm1      7.983 ppm2      2.484
 ASSI { 3626}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HG1 ")
      4.000     2.000     2.000 peak  3626 weight  0.10000E+01 volume  0.14800E+00 ppm1      9.736 ppm2      0.382
 ASSI {  726}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HA  ")
      3.600     1.600     1.600 peak   726 weight  0.10000E+01 volume  0.20900E+00 ppm1      9.733 ppm2      5.310
 ASSI {  714}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HB1 ")
      3.000     1.100     1.100 peak   714 weight  0.10000E+01 volume  0.80500E+00 ppm1      9.736 ppm2      1.646
 ASSI {  696}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HH2 ")
      4.000     2.000     2.000 peak   696 weight  0.10000E+01 volume  0.32800E+00 ppm1     10.013 ppm2      6.976
 OR {  696}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HE3 ")
 ASSI { 2725}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "32  " and name "HB1 ")
      3.000     1.100     1.100 peak  2725 weight  0.10000E+01 volume  0.86100E+00 ppm1      7.856 ppm2      1.714
 OR { 2725}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "32  " and name "HB2 ")
 ASSI {  693}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HD1 ")
      3.800     1.800     1.800 peak   693 weight  0.10000E+01 volume  0.20100E+00 ppm1     10.021 ppm2      1.249
 OR {  693}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HD2 ")
 ASSI {  698}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HB2 ")
      4.400     2.400     1.600 peak   698 weight  0.10000E+01 volume  0.78000E-01 ppm1     10.024 ppm2      3.282
 ASSI { 3440}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
      3.300     1.400     1.400 peak  3440 weight  0.10000E+01 volume  0.32000E+00 ppm1      9.061 ppm2      8.552
 ASSI { 2877}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG2 ")
      3.100     1.200     1.200 peak  2877 weight  0.10000E+01 volume  0.64600E+00 ppm1      8.808 ppm2      1.294
 ASSI { 3696}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "66  " and name "HG1 ")
      3.000     1.100     1.100 peak  3696 weight  0.10000E+01 volume  0.81200E+00 ppm1      6.876 ppm2      2.357
 OR { 3696}
     (segid "    " and resid "66  " and name "HE22")
     (segid "    " and resid "66  " and name "HG2 ")
 ASSI { 3532}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "10  " and name "HA  ")
      2.600     0.800     0.800 peak  3532 weight  0.10000E+01 volume  0.14340E+01 ppm1      7.863 ppm2      5.205
 ASSI { 3530}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG22")
      2.700     0.900     0.900 peak  3530 weight  0.10000E+01 volume  0.19960E+01 ppm1      7.860 ppm2      0.944
 OR { 3530}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG23")
 OR { 3530}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HG21")
 ASSI { 3110}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HA  ")
      2.600     0.800     0.800 peak  3110 weight  0.10000E+01 volume  0.13770E+01 ppm1      9.276 ppm2      5.310
 ASSI { 2587}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
      2.600     0.800     0.800 peak  2587 weight  0.10000E+01 volume  0.18340E+01 ppm1      7.619 ppm2      1.273
 ASSI { 2597}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB2 ")
      3.300     1.400     1.400 peak  2597 weight  0.10000E+01 volume  0.45100E+00 ppm1      7.623 ppm2      3.822
 OR { 2597}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB1 ")
 ASSI { 2737}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "35  " and name "HA  ")
      2.900     1.100     1.100 peak  2737 weight  0.10000E+01 volume  0.85800E+00 ppm1      7.409 ppm2      4.570
 ASSI { 3255}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA1 ")
      2.600     0.800     0.800 peak  3255 weight  0.10000E+01 volume  0.16860E+01 ppm1      7.763 ppm2      3.893
 ASSI { 3451}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG12")
      3.400     1.400     1.400 peak  3451 weight  0.10000E+01 volume  0.48600E+00 ppm1      8.495 ppm2      0.521
 OR { 3451}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 3451}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 3259}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HD2 ")
      4.300     2.300     1.700 peak  3259 weight  0.10000E+01 volume  0.20400E+00 ppm1      7.763 ppm2      7.021
 OR { 3259}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HD1 ")
 ASSI { 3367}
     (segid "    " and resid "85  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      2.900     1.100     1.100 peak  3367 weight  0.10000E+01 volume  0.77300E+00 ppm1      7.514 ppm2      5.339
 ASSI { 3140}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA1 ")
      3.000     1.100     1.100 peak  3140 weight  0.10000E+01 volume  0.68200E+00 ppm1      9.412 ppm2      5.113
 ASSI { 3036}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA1 ")
      2.500     0.800     0.800 peak  3036 weight  0.10000E+01 volume  0.20270E+01 ppm1      9.141 ppm2      4.000
 ASSI {  702}
     (segid "    " and resid "66  " and name "HE21")
     (segid "    " and resid "66  " and name "HG1 ")
      2.700     0.900     0.900 peak   702 weight  0.10000E+01 volume  0.14650E+01 ppm1      7.407 ppm2      2.358
 OR {  702}
     (segid "    " and resid "66  " and name "HE21")
     (segid "    " and resid "66  " and name "HG2 ")
 ASSI {  179}
     (segid "    " and resid "66  " and name "HE21")
     (segid "    " and resid "66  " and name "HE22")
      1.800     0.400     0.400 peak   179 weight  0.10000E+01 volume  0.14156E+02 ppm1      7.408 ppm2      6.873
 ASSI { 3189}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA1 ")
      2.600     0.800     0.800 peak  3189 weight  0.10000E+01 volume  0.16740E+01 ppm1      8.474 ppm2      3.890
 OR { 3189}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA2 ")
 ASSI { 3188}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA2 ")
      2.600     0.800     0.800 peak  3188 weight  0.10000E+01 volume  0.16800E+01 ppm1      8.474 ppm2      3.784
 ASSI { 3193}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HN  ")
      3.400     1.400     1.400 peak  3193 weight  0.10000E+01 volume  0.28600E+00 ppm1      8.475 ppm2      8.785
 ASSI { 2348}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "107 " and name "HN  ")
      2.900     1.100     1.100 peak  2348 weight  0.10000E+01 volume  0.75900E+00 ppm1      8.707 ppm2      8.234
 ASSI { 3638}
     (segid "    " and resid "108 " and name "HE21")
     (segid "    " and resid "108 " and name "HE22")
      1.700     0.400     0.500 peak  3638 weight  0.10000E+01 volume  0.15962E+02 ppm1      7.664 ppm2      6.778
 ASSI { 2420}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD13")
      4.300     2.300     1.700 peak  2420 weight  0.10000E+01 volume  0.14300E+00 ppm1      6.571 ppm2      0.544
 OR { 2420}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD11")
 OR { 2420}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD12")
 ASSI { 2357}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
      2.800     1.000     1.000 peak  2357 weight  0.10000E+01 volume  0.10810E+01 ppm1      6.570 ppm2      4.285
 ASSI { 2415}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HA  ")
      3.200     1.300     1.300 peak  2415 weight  0.10000E+01 volume  0.44700E+00 ppm1      6.573 ppm2      3.852
 ASSI { 2546}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      2.900     1.100     1.100 peak  2546 weight  0.10000E+01 volume  0.80700E+00 ppm1      9.823 ppm2      4.729
 ASSI { 2549}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
      3.200     1.300     1.300 peak  2549 weight  0.10000E+01 volume  0.59000E+00 ppm1      9.819 ppm2      3.525
 ASSI { 2545}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
      2.900     1.100     1.100 peak  2545 weight  0.10000E+01 volume  0.78000E+00 ppm1      9.819 ppm2      8.437
 ASSI { 2550}
     (segid "    " and resid "19  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB2 ")
      3.400     1.400     1.400 peak  2550 weight  0.10000E+01 volume  0.41800E+00 ppm1      9.823 ppm2      3.788
 ASSI { 2668}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      2.600     0.800     0.800 peak  2668 weight  0.10000E+01 volume  0.17910E+01 ppm1      7.416 ppm2      2.243
 OR { 2668}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 2668}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 3336}
     (segid "    " and resid "83  " and name "HN  ")
     (segid "    " and resid "83  " and name "HB2 ")
      2.700     0.900     0.900 peak  3336 weight  0.10000E+01 volume  0.16710E+01 ppm1      7.667 ppm2      3.879
 ASSI { 2524}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB2 ")
      2.600     0.800     0.800 peak  2524 weight  0.10000E+01 volume  0.20910E+01 ppm1      7.836 ppm2      1.835
 ASSI { 2525}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HA  ")
      2.600     0.800     0.800 peak  2525 weight  0.10000E+01 volume  0.16530E+01 ppm1      7.831 ppm2      4.379
 ASSI { 3354}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "84  " and name "HG12")
      2.900     1.100     1.100 peak  3354 weight  0.10000E+01 volume  0.10240E+01 ppm1      7.261 ppm2      1.199
 ASSI { 3351}
     (segid "    " and resid "84  " and name "HN  ")
     (segid "    " and resid "83  " and name "HN  ")
      2.600     0.800     0.800 peak  3351 weight  0.10000E+01 volume  0.12680E+01 ppm1      7.261 ppm2      7.675
 ASSI { 2753}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB1 ")
      2.900     1.100     1.100 peak  2753 weight  0.10000E+01 volume  0.93800E+00 ppm1      8.729 ppm2      3.630
 ASSI { 2749}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HB1 ")
      2.400     0.700     0.700 peak  2749 weight  0.10000E+01 volume  0.30300E+01 ppm1      8.729 ppm2      3.049
 OR { 2749}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "35  " and name "HB2 ")
 ASSI { 6051}
     (segid "    " and resid "105 " and name "HN  ")
     (segid "    " and resid "105 " and name "HA  ")
      3.800     1.800     1.800 peak  6051 weight  0.10000E+01 volume  0.15500E+00 ppm1      7.514 ppm2      4.918
 ASSI { 3096}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      3.000     1.100     1.100 peak  3096 weight  0.10000E+01 volume  0.70600E+00 ppm1      8.661 ppm2      5.155
 ASSI { 3090}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB1 ")
      2.800     1.000     1.000 peak  3090 weight  0.10000E+01 volume  0.11250E+01 ppm1      8.664 ppm2      3.097
 ASSI { 3093}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
      2.900     1.100     1.100 peak  3093 weight  0.10000E+01 volume  0.84400E+00 ppm1      8.665 ppm2      3.968
 ASSI { 2580}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
      3.000     1.100     1.100 peak  2580 weight  0.10000E+01 volume  0.70800E+00 ppm1      8.560 ppm2      4.035
 ASSI { 2684}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
      2.700     0.900     0.900 peak  2684 weight  0.10000E+01 volume  0.14920E+01 ppm1      8.300 ppm2      1.877
 OR { 2684}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG1 ")
 ASSI { 1420}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HA  ")
      3.200     1.300     1.300 peak  1420 weight  0.10000E+01 volume  0.41500E+00 ppm1      3.981 ppm2      3.856
 ASSI { 2680}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      2.200     0.600     0.600 peak  2680 weight  0.10000E+01 volume  0.38490E+01 ppm1      8.301 ppm2      4.542
 ASSI { 2690}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "43  " and name "HN  ")
      3.200     1.300     1.300 peak  2690 weight  0.10000E+01 volume  0.37700E+00 ppm1      8.300 ppm2      8.994
 ASSI { 1421}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD13")
      4.100     2.100     1.900 peak  1421 weight  0.10000E+01 volume  0.18500E+00 ppm1      3.978 ppm2      0.528
 OR { 1421}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD12")
 OR { 1421}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD11")
 ASSI { 2451}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA  ")
      3.300     1.400     1.400 peak  2451 weight  0.10000E+01 volume  0.35400E+00 ppm1      9.367 ppm2      4.888
 ASSI { 2452}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "12  " and name "HN  ")
      3.800     1.800     1.800 peak  2452 weight  0.10000E+01 volume  0.13600E+00 ppm1      9.367 ppm2      8.891
 ASSI { 2806}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HA  ")
      2.300     0.700     0.700 peak  2806 weight  0.10000E+01 volume  0.30300E+01 ppm1      7.817 ppm2      4.642
 ASSI { 2810}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD21")
      3.200     1.300     1.300 peak  2810 weight  0.10000E+01 volume  0.75500E+00 ppm1      7.816 ppm2      0.909
 OR { 2810}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "39  " and name "HD22")
 ASSI { 2805}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB  ")
      2.400     0.700     0.700 peak  2805 weight  0.10000E+01 volume  0.29250E+01 ppm1      7.818 ppm2      4.051
 ASSI { 2809}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      3.000     1.100     1.100 peak  2809 weight  0.10000E+01 volume  0.60700E+00 ppm1      7.816 ppm2      4.911
 ASSI { 3553}
     (segid "    " and resid "102 " and name "HN  ")
     (segid "    " and resid "102 " and name "HA  ")
      2.700     0.900     0.900 peak  3553 weight  0.10000E+01 volume  0.12040E+01 ppm1      8.493 ppm2      4.001
 ASSI { 2511}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG11")
      2.900     1.100     1.100 peak  2511 weight  0.10000E+01 volume  0.15420E+01 ppm1      8.998 ppm2      0.702
 OR { 2511}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG13")
 OR { 2511}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG12")
 OR { 2511}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "96  " and name "HG21")
 ASSI { 2497}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB2 ")
      2.400     0.700     0.700 peak  2497 weight  0.10000E+01 volume  0.29130E+01 ppm1      8.998 ppm2      2.146
 OR { 2497}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB1 ")
 ASSI { 2482}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB2 ")
      3.000     1.100     1.100 peak  2482 weight  0.10000E+01 volume  0.79500E+00 ppm1      9.171 ppm2      3.365
 ASSI { 2487}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HN  ")
      3.600     1.600     1.600 peak  2487 weight  0.10000E+01 volume  0.18900E+00 ppm1      9.170 ppm2      8.875
 ASSI { 3572}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "102 " and name "HG2 ")
      3.500     1.500     1.500 peak  3572 weight  0.10000E+01 volume  0.32800E+00 ppm1      7.444 ppm2      0.348
 ASSI { 3574}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "102 " and name "HB2 ")
      3.700     1.700     1.700 peak  3574 weight  0.10000E+01 volume  0.23400E+00 ppm1      7.447 ppm2      1.354
 ASSI { 3570}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "103 " and name "HB2 ")
      3.000     1.100     1.100 peak  3570 weight  0.10000E+01 volume  0.89500E+00 ppm1      7.446 ppm2      3.275
 ASSI { 2624}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "86  " and name "HN  ")
      2.600     0.800     0.800 peak  2624 weight  0.10000E+01 volume  0.15220E+01 ppm1      8.405 ppm2      8.593
 ASSI { 2406}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HB1 ")
      3.100     1.200     1.200 peak  2406 weight  0.10000E+01 volume  0.72100E+00 ppm1      8.277 ppm2      2.220
 ASSI { 2405}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB2 ")
      2.900     1.100     1.100 peak  2405 weight  0.10000E+01 volume  0.10480E+01 ppm1      8.274 ppm2      1.237
 ASSI { 2401}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HA  ")
      2.200     0.600     0.600 peak  2401 weight  0.10000E+01 volume  0.37870E+01 ppm1      8.275 ppm2      4.225
 ASSI { 2548}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB1 ")
      4.400     2.400     1.600 peak  2548 weight  0.10000E+01 volume  0.82000E-01 ppm1      8.442 ppm2      3.675
 ASSI { 2979}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
      2.900     1.100     1.100 peak  2979 weight  0.10000E+01 volume  0.96800E+00 ppm1      8.614 ppm2      3.618
 ASSI { 2989}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HG1 ")
      3.500     1.500     1.500 peak  2989 weight  0.10000E+01 volume  0.32300E+00 ppm1      8.615 ppm2      0.377
 ASSI { 2552}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HN  ")
      2.300     0.700     0.700 peak  2552 weight  0.10000E+01 volume  0.28580E+01 ppm1      8.166 ppm2      9.821
 ASSI { 2554}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HA  ")
      2.900     1.100     1.100 peak  2554 weight  0.10000E+01 volume  0.87000E+00 ppm1      8.168 ppm2      4.988
 ASSI { 3474}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG12")
      4.000     2.000     2.000 peak  3474 weight  0.10000E+01 volume  0.19600E+00 ppm1      7.504 ppm2      0.522
 OR { 3474}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD13")
 OR { 3474}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 OR { 3474}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD11")
 ASSI { 2568}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG12")
      3.000     1.100     1.100 peak  2568 weight  0.10000E+01 volume  0.80100E+00 ppm1      9.128 ppm2      0.522
 OR { 2568}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 3466}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA1 ")
      2.400     0.700     0.700 peak  3466 weight  0.10000E+01 volume  0.21990E+01 ppm1      7.504 ppm2      3.790
 ASSI { 3470}
     (segid "    " and resid "95  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA2 ")
      2.600     0.800     0.800 peak  3470 weight  0.10000E+01 volume  0.13840E+01 ppm1      7.504 ppm2      3.059
 ASSI { 3082}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD21")
      3.100     1.200     1.200 peak  3082 weight  0.10000E+01 volume  0.10500E+01 ppm1      7.948 ppm2      0.679
 OR { 3082}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD13")
 OR { 3082}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD11")
 OR { 3082}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD23")
 ASSI { 3077}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
      2.500     0.800     0.800 peak  3077 weight  0.10000E+01 volume  0.17650E+01 ppm1      7.949 ppm2      3.969
 ASSI { 3229}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      2.400     2.400     2.600 peak  3229 weight  0.10000E+01 volume  0.26230E+01 ppm1      8.147 ppm2      4.485
 ASSI { 3240}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HD1 ")
      3.700     1.700     1.700 peak  3240 weight  0.10000E+01 volume  0.55000E+00 ppm1      8.150 ppm2      7.021
 OR { 3240}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HD2 ")
 ASSI { 3239}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "71  " and name "HN  ")
      2.900     1.100     1.100 peak  3239 weight  0.10000E+01 volume  0.75400E+00 ppm1      8.147 ppm2      7.762
 ASSI { 3116}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB1 ")
      3.400     1.400     1.400 peak  3116 weight  0.10000E+01 volume  0.40400E+00 ppm1      8.771 ppm2      3.251
 ASSI { 3125}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
      3.700     1.700     1.700 peak  3125 weight  0.10000E+01 volume  0.16100E+00 ppm1      8.774 ppm2      9.283
 ASSI { 3223}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "91  " and name "HN  ")
      2.300     0.700     0.700 peak  3223 weight  0.10000E+01 volume  0.29110E+01 ppm1      8.173 ppm2      9.060
 ASSI { 3234}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
      2.800     1.000     1.000 peak  3234 weight  0.10000E+01 volume  0.10290E+01 ppm1      8.171 ppm2      4.023
 OR { 3234}
     (segid "    " and resid "92  " and name "HN  ")
     (segid "    " and resid "90  " and name "HB  ")
 ASSI { 3004}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD1 ")
      3.300     1.400     1.400 peak  3004 weight  0.10000E+01 volume  0.10620E+01 ppm1      8.289 ppm2      7.552
 ASSI { 3528}
     (segid "    " and resid "101 " and name "HN  ")
     (segid "    " and resid "100 " and name "HA  ")
      2.400     0.700     0.700 peak  3528 weight  0.10000E+01 volume  0.22550E+01 ppm1      9.120 ppm2      4.495
 ASSI { 2383}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HA  ")
      2.300     0.700     0.700 peak  2383 weight  0.10000E+01 volume  0.34500E+01 ppm1      7.931 ppm2      4.099
 ASSI { 3265}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB2 ")
      3.200     1.300     1.300 peak  3265 weight  0.10000E+01 volume  0.52800E+00 ppm1      8.107 ppm2      2.625
 ASSI { 3261}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
      2.500     0.800     0.800 peak  3261 weight  0.10000E+01 volume  0.22730E+01 ppm1      8.109 ppm2      1.541
 OR { 3261}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB2 ")
 ASSI { 3262}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HA  ")
      2.600     0.800     0.800 peak  3262 weight  0.10000E+01 volume  0.13800E+01 ppm1      8.107 ppm2      4.232
 ASSI { 3263}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD13")
      3.200     1.300     1.300 peak  3263 weight  0.10000E+01 volume  0.75700E+00 ppm1      8.107 ppm2      0.771
 OR { 3263}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 3263}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 3263}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 3263}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD21")
 ASSI { 2759}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HA  ")
      2.900     1.100     1.100 peak  2759 weight  0.10000E+01 volume  0.76000E+00 ppm1      9.327 ppm2      4.303
 ASSI { 2761}
     (segid "    " and resid "37  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB1 ")
      2.800     1.000     1.000 peak  2761 weight  0.10000E+01 volume  0.12130E+01 ppm1      9.328 ppm2      1.898
 ASSI { 2859}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB2 ")
      3.200     1.300     1.300 peak  2859 weight  0.10000E+01 volume  0.61000E+00 ppm1      8.993 ppm2      2.867
 ASSI { 2857}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
      2.700     0.900     0.900 peak  2857 weight  0.10000E+01 volume  0.17270E+01 ppm1      8.993 ppm2      1.673
 ASSI { 3321}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "81  " and name "HA  ")
      2.500     0.800     0.800 peak  3321 weight  0.10000E+01 volume  0.20520E+01 ppm1      8.659 ppm2      4.639
 ASSI { 3325}
     (segid "    " and resid "82  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      2.900     1.100     1.100 peak  3325 weight  0.10000E+01 volume  0.82500E+00 ppm1      8.656 ppm2      5.153
 ASSI { 3420}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "89  " and name "HA  ")
      2.000     0.500     0.500 peak  3420 weight  0.10000E+01 volume  0.74450E+01 ppm1      9.006 ppm2      4.527
 ASSI { 3487}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "94  " and name "HA1 ")
      3.300     1.400     1.400 peak  3487 weight  0.10000E+01 volume  0.40000E+00 ppm1      8.542 ppm2      3.796
 ASSI { 3488}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "12  " and name "HA  ")
      3.600     1.600     1.600 peak  3488 weight  0.10000E+01 volume  0.21500E+00 ppm1      8.547 ppm2      5.256
 ASSI { 2815}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
      2.200     0.600     0.600 peak  2815 weight  0.10000E+01 volume  0.47610E+01 ppm1      8.756 ppm2      4.394
 ASSI { 3276}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD23")
      3.400     1.400     1.400 peak  3276 weight  0.10000E+01 volume  0.53400E+00 ppm1      8.090 ppm2      0.765
 OR { 3276}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 3276}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 3276}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 3276}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD21")
 ASSI { 2495}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG12")
      3.500     1.500     1.500 peak  2495 weight  0.10000E+01 volume  0.40200E+00 ppm1     10.342 ppm2      0.527
 OR { 2495}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "22  " and name "HD12")
 ASSI { 2490}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HA  ")
      2.900     1.100     1.100 peak  2490 weight  0.10000E+01 volume  0.78200E+00 ppm1     10.340 ppm2      5.082
 ASSI { 2698}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      3.000     1.100     1.100 peak  2698 weight  0.10000E+01 volume  0.70900E+00 ppm1      9.144 ppm2      5.256
 ASSI { 3601}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "107 " and name "HA  ")
      2.900     1.100     1.100 peak  3601 weight  0.10000E+01 volume  0.79800E+00 ppm1      8.235 ppm2      4.797
 ASSI { 2363}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA  ")
      2.300     0.700     0.700 peak  2363 weight  0.10000E+01 volume  0.34480E+01 ppm1      9.179 ppm2      4.555
 ASSI { 3184}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "48  " and name "HN  ")
      3.500     1.500     1.500 peak  3184 weight  0.10000E+01 volume  0.23100E+00 ppm1      8.783 ppm2      9.177
 ASSI { 3178}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HA  ")
      2.800     1.000     1.000 peak  3178 weight  0.10000E+01 volume  0.88100E+00 ppm1      8.776 ppm2      4.413
 ASSI { 3296}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD11")
      4.100     2.100     1.900 peak  3296 weight  0.10000E+01 volume  0.16600E+00 ppm1      8.156 ppm2      0.539
 OR { 3296}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD12")
 OR { 3296}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HD13")
 ASSI { 3294}
     (segid "    " and resid "77  " and name "HN  ")
     (segid "    " and resid "77  " and name "HA  ")
      3.100     1.200     1.200 peak  3294 weight  0.10000E+01 volume  0.51300E+00 ppm1      8.155 ppm2      4.692
 ASSI { 2361}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "36  " and name "HN  ")
      2.100     2.100     2.900 peak  2361 weight  0.10000E+01 volume  0.43440E+01 ppm1      8.681 ppm2      8.683
 ASSI { 3506}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HA  ")
      2.800     1.000     1.000 peak  3506 weight  0.10000E+01 volume  0.10760E+01 ppm1      9.291 ppm2      4.428
 ASSI { 3509}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG11")
      3.400     1.400     1.400 peak  3509 weight  0.10000E+01 volume  0.53400E+00 ppm1      9.291 ppm2      1.066
 OR { 3509}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG12")
 OR { 3509}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG13")
 ASSI { 3499}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "97  " and name "HA  ")
      2.100     0.600     0.600 peak  3499 weight  0.10000E+01 volume  0.51720E+01 ppm1      9.292 ppm2      5.068
 ASSI { 3503}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG21")
      2.800     1.000     1.000 peak  3503 weight  0.10000E+01 volume  0.18810E+01 ppm1      9.294 ppm2      0.902
 OR { 3503}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG23")
 OR { 3503}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "98  " and name "HG22")
 ASSI { 3508}
     (segid "    " and resid "98  " and name "HN  ")
     (segid "    " and resid "97  " and name "HB2 ")
      3.200     1.300     1.300 peak  3508 weight  0.10000E+01 volume  0.51700E+00 ppm1      9.291 ppm2      2.364
 ASSI { 2659}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "85  " and name "HA  ")
      2.900     1.100     1.100 peak  2659 weight  0.10000E+01 volume  0.85200E+00 ppm1      9.752 ppm2      5.334
 ASSI { 3387}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "87  " and name "HA  ")
      2.300     0.700     0.700 peak  3387 weight  0.10000E+01 volume  0.31150E+01 ppm1      9.043 ppm2      4.224
 ASSI { 3394}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HB1 ")
      2.800     1.000     1.000 peak  3394 weight  0.10000E+01 volume  0.12300E+01 ppm1      9.046 ppm2      2.664
 OR { 3394}
     (segid "    " and resid "88  " and name "HN  ")
     (segid "    " and resid "88  " and name "HB2 ")
 ASSI { 3685}
     (segid "    " and resid "10  " and name "HE  ")
     (segid "    " and resid "10  " and name "HG1 ")
      3.200     1.300     1.300 peak  3685 weight  0.10000E+01 volume  0.82000E+00 ppm1      8.287 ppm2      1.602
 OR { 3685}
     (segid "    " and resid "10  " and name "HE  ")
     (segid "    " and resid "10  " and name "HG2 ")
 ASSI { 2715}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
      3.400     1.400     1.400 peak  2715 weight  0.10000E+01 volume  0.41700E+00 ppm1      7.982 ppm2      2.909
 ASSI { 2709}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "32  " and name "HB2 ")
      2.300     0.700     0.700 peak  2709 weight  0.10000E+01 volume  0.39040E+01 ppm1      7.983 ppm2      1.719
 ASSI { 2710}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
      2.500     0.800     0.800 peak  2710 weight  0.10000E+01 volume  0.17330E+01 ppm1      7.984 ppm2      4.502
 ASSI { 2941}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB2 ")
      3.100     1.200     1.200 peak  2941 weight  0.10000E+01 volume  0.66200E+00 ppm1      9.850 ppm2      2.807
 ASSI { 2938}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      3.200     1.300     1.300 peak  2938 weight  0.10000E+01 volume  0.43700E+00 ppm1      9.848 ppm2      4.497
 ASSI { 2946}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA1 ")
      3.200     1.300     1.300 peak  2946 weight  0.10000E+01 volume  0.44000E+00 ppm1      9.851 ppm2      5.117
 ASSI { 2638}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
      2.500     0.800     0.800 peak  2638 weight  0.10000E+01 volume  0.34660E+01 ppm1      8.810 ppm2      1.386
 OR { 2638}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB3 ")
 ASSI { 2637}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      2.200     0.600     0.600 peak  2637 weight  0.10000E+01 volume  0.42660E+01 ppm1      8.810 ppm2      4.828
 ASSI { 2649}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
      3.500     1.500     1.500 peak  2649 weight  0.10000E+01 volume  0.24300E+00 ppm1      8.812 ppm2      9.756
 ASSI { 2646}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      3.300     1.400     1.400 peak  2646 weight  0.10000E+01 volume  0.35900E+00 ppm1      8.806 ppm2      8.083
 ASSI { 2816}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      2.300     0.700     0.700 peak  2816 weight  0.10000E+01 volume  0.35780E+01 ppm1      9.117 ppm2      4.907
 ASSI { 3615}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HB2 ")
      2.700     0.900     0.900 peak  3615 weight  0.10000E+01 volume  0.14560E+01 ppm1      8.476 ppm2      1.996
 ASSI { 3614}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG1 ")
      2.800     1.000     1.000 peak  3614 weight  0.10000E+01 volume  0.12360E+01 ppm1      8.476 ppm2      2.431
 OR { 3614}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HG2 ")
 ASSI { 3611}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "108 " and name "HA  ")
      2.700     0.900     0.900 peak  3611 weight  0.10000E+01 volume  0.12480E+01 ppm1      8.476 ppm2      4.253
 ASSI { 3631}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HE2 ")
      4.000     2.000     2.000 peak  3631 weight  0.10000E+01 volume  0.13800E+00 ppm1      9.727 ppm2      0.216
 ASSI { 3625}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "53  " and name "HN  ")
      3.600     1.600     1.600 peak  3625 weight  0.10000E+01 volume  0.19300E+00 ppm1      9.735 ppm2      8.287
 ASSI { 2733}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "32  " and name "HG2 ")
      4.100     2.100     1.900 peak  2733 weight  0.10000E+01 volume  0.13600E+00 ppm1      7.861 ppm2      2.323
 ASSI {  700}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HG2 ")
      4.200     2.200     1.800 peak   700 weight  0.10000E+01 volume  0.10800E+00 ppm1     10.012 ppm2      0.326
 ASSI { 2713}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
      2.200     0.600     0.600 peak  2713 weight  0.10000E+01 volume  0.41850E+01 ppm1      7.854 ppm2      4.496
 ASSI { 2724}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      2.800     1.000     1.000 peak  2724 weight  0.10000E+01 volume  0.91600E+00 ppm1      7.854 ppm2      4.910
 ASSI {  471}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HE2 ")
      3.400     1.400     1.400 peak   471 weight  0.10000E+01 volume  0.41800E+00 ppm1     10.018 ppm2      2.331
 OR {  471}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HE1 ")
 ASSI {  695}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "102 " and name "HG1 ")
      3.900     1.900     1.900 peak   695 weight  0.10000E+01 volume  0.18400E+00 ppm1     10.018 ppm2      0.700
 ASSI { 3498}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "97  " and name "HA  ")
      2.800     1.000     1.000 peak  3498 weight  0.10000E+01 volume  0.10340E+01 ppm1      8.366 ppm2      5.068
 ASSI { 3489}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "96  " and name "HA  ")
      2.100     0.600     0.600 peak  3489 weight  0.10000E+01 volume  0.55920E+01 ppm1      8.367 ppm2      4.016
 ASSI { 3496}
     (segid "    " and resid "97  " and name "HN  ")
     (segid "    " and resid "97  " and name "HB1 ")
      2.400     0.700     0.700 peak  3496 weight  0.10000E+01 volume  0.28010E+01 ppm1      8.367 ppm2      2.788
 ASSI { 3436}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "23  " and name "HA  ")
      2.700     0.900     0.900 peak  3436 weight  0.10000E+01 volume  0.11240E+01 ppm1      9.062 ppm2      4.917
 ASSI { 3437}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG21")
      3.100     1.200     1.200 peak  3437 weight  0.10000E+01 volume  0.99200E+00 ppm1      9.056 ppm2      1.032
 OR { 3437}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG23")
 OR { 3437}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "90  " and name "HG22")
 ASSI { 3439}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB1 ")
      3.100     1.200     1.200 peak  3439 weight  0.10000E+01 volume  0.63800E+00 ppm1      9.063 ppm2      3.828
 OR { 3439}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB2 ")
 ASSI { 3677}
     (segid "    " and resid "10  " and name "HE  ")
     (segid "    " and resid "10  " and name "HD2 ")
      3.000     1.100     1.100 peak  3677 weight  0.10000E+01 volume  0.10870E+01 ppm1      8.286 ppm2      3.105
 ASSI { 3686}
     (segid "    " and resid "10  " and name "HE  ")
     (segid "    " and resid "10  " and name "HG2 ")
      3.500     1.500     1.500 peak  3686 weight  0.10000E+01 volume  0.43300E+00 ppm1      8.287 ppm2      1.494
 ASSI { 3697}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "29  " and name "HB1 ")
      2.900     1.100     1.100 peak  3697 weight  0.10000E+01 volume  0.96300E+00 ppm1      6.880 ppm2      2.219
 OR { 3697}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 3697}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 3698}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "29  " and name "HB2 ")
      3.500     1.500     1.500 peak  3698 weight  0.10000E+01 volume  0.33200E+00 ppm1      6.877 ppm2      1.881
 OR { 3698}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 3698}
     (segid "    " and resid "29  " and name "HE22")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 2870}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA1 ")
      2.600     0.800     0.800 peak  2870 weight  0.10000E+01 volume  0.15910E+01 ppm1      8.809 ppm2      4.393
 ASSI { 2865}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      2.300     0.700     0.700 peak  2865 weight  0.10000E+01 volume  0.36060E+01 ppm1      8.810 ppm2      3.225
 ASSI { 3250}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HA  ")
      2.500     0.800     0.800 peak  3250 weight  0.10000E+01 volume  0.18530E+01 ppm1      7.768 ppm2      4.370
 ASSI { 3244}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA2 ")
      2.500     0.800     0.800 peak  3244 weight  0.10000E+01 volume  0.17410E+01 ppm1      7.764 ppm2      3.698
 ASSI { 3442}
     (segid "    " and resid "94  " and name "HN  ")
     (segid "    " and resid "93  " and name "HA  ")
      2.100     0.600     0.600 peak  3442 weight  0.10000E+01 volume  0.47990E+01 ppm1      8.497 ppm2      4.165
 ASSI { 3662}
     (segid "    " and resid "89  " and name "HE22")
     (segid "    " and resid "89  " and name "HE21")
      1.600     0.300     0.600 peak  3662 weight  0.10000E+01 volume  0.21356E+02 ppm1      6.748 ppm2      7.413
 ASSI { 2352}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HN  ")
      2.600     0.800     0.800 peak  2352 weight  0.10000E+01 volume  0.12600E+01 ppm1      6.571 ppm2      3.997
 ASSI { 3149}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HA1 ")
      2.600     0.800     0.800 peak  3149 weight  0.10000E+01 volume  0.16770E+01 ppm1      9.074 ppm2      5.105
 ASSI { 2532}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB1 ")
      3.300     1.400     1.400 peak  2532 weight  0.10000E+01 volume  0.45600E+00 ppm1      7.836 ppm2      2.947
 ASSI { 2529}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HA  ")
      3.100     1.200     1.200 peak  2529 weight  0.10000E+01 volume  0.55600E+00 ppm1      7.834 ppm2      3.910
 ASSI { 2530}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "19  " and name "HN  ")
      3.100     1.200     1.200 peak  2530 weight  0.10000E+01 volume  0.47900E+00 ppm1      7.836 ppm2      9.819
 ASSI { 2685}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      2.900     1.100     1.100 peak  2685 weight  0.10000E+01 volume  0.82800E+00 ppm1      8.300 ppm2      4.832
 ASSI { 2498}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB1 ")
      2.500     0.800     0.800 peak  2498 weight  0.10000E+01 volume  0.23470E+01 ppm1      8.998 ppm2      2.943
 ASSI { 3575}
     (segid "    " and resid "103 " and name "HN  ")
     (segid "    " and resid "102 " and name "HA  ")
      3.300     1.400     1.400 peak  3575 weight  0.10000E+01 volume  0.33900E+00 ppm1      7.442 ppm2      3.995
 ASSI { 2403}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG2 ")
      2.600     0.800     0.800 peak  2403 weight  0.10000E+01 volume  0.21100E+01 ppm1      8.275 ppm2      1.371
 OR { 2403}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 3108}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      2.400     0.700     0.700 peak  3108 weight  0.10000E+01 volume  0.25030E+01 ppm1      8.770 ppm2      5.153
 ASSI { 3593}
     (segid "    " and resid "106 " and name "HN  ")
     (segid "    " and resid "106 " and name "HA  ")
      3.200     1.300     1.300 peak  3593 weight  0.10000E+01 volume  0.40300E+00 ppm1      7.575 ppm2      4.498
 ASSI { 2850}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      2.300     0.700     0.700 peak  2850 weight  0.10000E+01 volume  0.32350E+01 ppm1      8.995 ppm2      5.256
 ASSI { 3421}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HB  ")
      2.300     0.700     0.700 peak  3421 weight  0.10000E+01 volume  0.41970E+01 ppm1      9.006 ppm2      4.019
 OR { 3421}
     (segid "    " and resid "90  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
 ASSI { 3597}
     (segid "    " and resid "107 " and name "HN  ")
     (segid "    " and resid "106 " and name "HA  ")
      2.300     0.700     0.700 peak  3597 weight  0.10000E+01 volume  0.32920E+01 ppm1      8.234 ppm2      4.498
 ASSI { 2707}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      2.100     0.600     0.600 peak  2707 weight  0.10000E+01 volume  0.49370E+01 ppm1      7.984 ppm2      4.613
 ASSI { 2940}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      2.500     0.800     0.800 peak  2940 weight  0.10000E+01 volume  0.19320E+01 ppm1      9.846 ppm2      4.376
 ASSI { 2838}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HD11")
      4.000     2.000     2.000 peak  2838 weight  0.10000E+01 volume  0.19400E+00 ppm1      9.120 ppm2      0.291
 OR { 2838}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HD12")
 OR { 2838}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HD13")
 ASSI { 3608}
     (segid "    " and resid "108 " and name "HN  ")
     (segid "    " and resid "107 " and name "HA  ")
      2.200     0.600     0.600 peak  3608 weight  0.10000E+01 volume  0.38950E+01 ppm1      8.476 ppm2      4.797
 ASSI {  712}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD1 ")
      2.600     0.800     0.800 peak   712 weight  0.10000E+01 volume  0.48570E+01 ppm1      9.734 ppm2      7.548
 OR {  712}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HZ2 ")
 ASSI { 3671}
     (segid "    " and resid "10  " and name "HE  ")
     (segid "    " and resid "10  " and name "HD1 ")
      3.300     1.400     1.400 peak  3671 weight  0.10000E+01 volume  0.69600E+00 ppm1      8.287 ppm2      3.303
 ASSI { 3048}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA2 ")
      2.500     0.800     0.800 peak  3048 weight  0.10000E+01 volume  0.18900E+01 ppm1      7.738 ppm2      3.538
 ASSI { 3257}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB1 ")
      3.600     1.600     1.600 peak  3257 weight  0.10000E+01 volume  0.29100E+00 ppm1      7.765 ppm2      3.017
 ASSI { 2952}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      2.400     0.700     0.700 peak  2952 weight  0.10000E+01 volume  0.24430E+01 ppm1      8.577 ppm2      9.848
 ASSI { 3655}
     (segid "    " and resid "45  " and name "HE21")
     (segid "    " and resid "45  " and name "HE22")
      2.000     0.500     0.500 peak  3655 weight  0.10000E+01 volume  0.71500E+01 ppm1      7.750 ppm2      6.918
 ASSI { 2666}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
      2.400     0.700     0.700 peak  2666 weight  0.10000E+01 volume  0.22920E+01 ppm1      7.415 ppm2      9.755
 ASSI { 2517}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
      2.200     0.600     0.600 peak  2517 weight  0.10000E+01 volume  0.32760E+01 ppm1      7.834 ppm2      8.438
 ASSI { 2755}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "37  " and name "HN  ")
      3.200     1.300     1.300 peak  2755 weight  0.10000E+01 volume  0.42000E+00 ppm1      8.730 ppm2      9.330
 ASSI { 2509}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HA  ")
      2.600     0.800     0.800 peak  2509 weight  0.10000E+01 volume  0.13900E+01 ppm1      8.998 ppm2      3.910
 ASSI { 2478}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HA  ")
      2.200     0.600     0.600 peak  2478 weight  0.10000E+01 volume  0.37720E+01 ppm1      9.172 ppm2      5.259
 ASSI { 7590}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "52  " and name "HG2 ")
      3.900     1.900     1.900 peak  7590 weight  0.10000E+01 volume  0.16400E+00 ppm1      8.616 ppm2     -0.805
 ASSI { 2562}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
      2.500     0.800     0.800 peak  2562 weight  0.10000E+01 volume  0.20470E+01 ppm1      9.130 ppm2      3.510
 ASSI { 3154}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HA  ")
      2.400     0.700     0.700 peak  3154 weight  0.10000E+01 volume  0.27030E+01 ppm1      8.968 ppm2      5.231
 ASSI { 2790}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HA  ")
      2.500     0.800     0.800 peak  2790 weight  0.10000E+01 volume  0.18670E+01 ppm1      9.144 ppm2      5.391
 ASSI { 2901}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      2.200     0.600     0.600 peak  2901 weight  0.10000E+01 volume  0.43400E+01 ppm1      8.388 ppm2      4.251
 ASSI {  197}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HZ2 ")
      3.000     1.100     1.100 peak   197 weight  0.10000E+01 volume  0.17430E+01 ppm1     10.015 ppm2      7.338
 ASSI {  194}
     (segid "    " and resid "103 " and name "HE1 ")
     (segid "    " and resid "103 " and name "HD1 ")
      2.600     0.800     0.800 peak   194 weight  0.10000E+01 volume  0.44130E+01 ppm1     10.014 ppm2      7.111
 ASSI { 2868}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA2 ")
      2.500     0.800     0.800 peak  2868 weight  0.10000E+01 volume  0.18220E+01 ppm1      8.809 ppm2      3.489
 ASSI { 2266}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HA1 ")
      2.600     0.800     0.800 peak  2266 weight  0.10000E+01 volume  0.14350E+01 ppm1      8.707 ppm2      4.382
 ASSI { 2387}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HA  ")
      3.200     1.300     1.300 peak  2387 weight  0.10000E+01 volume  0.44100E+00 ppm1      7.929 ppm2      5.046
 ASSI { 2433}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA  ")
      2.900     1.100     1.100 peak  2433 weight  0.10000E+01 volume  0.78400E+00 ppm1      7.821 ppm2      5.203
 ASSI { 2625}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      2.900     1.100     1.100 peak  2625 weight  0.10000E+01 volume  0.78800E+00 ppm1      8.405 ppm2      4.829
 ASSI { 2779}
     (segid "    " and resid "38  " and name "HN  ")
     (segid "    " and resid "38  " and name "HA  ")
      3.200     1.300     1.300 peak  2779 weight  0.10000E+01 volume  0.41000E+00 ppm1      8.440 ppm2      5.388
 ASSI { 2886}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      3.100     1.200     1.200 peak  2886 weight  0.10000E+01 volume  0.53600E+00 ppm1      8.969 ppm2      4.367
 ASSI { 2956}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      3.000     1.100     1.100 peak  2956 weight  0.10000E+01 volume  0.60200E+00 ppm1      8.580 ppm2      5.482
 ASSI { 3218}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HA  ")
      2.700     0.900     0.900 peak  3218 weight  0.10000E+01 volume  0.13330E+01 ppm1      8.147 ppm2      4.361
 ASSI { 2876}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "80  " and name "HA  ")
      3.200     1.300     1.300 peak  2876 weight  0.10000E+01 volume  0.42300E+00 ppm1      8.866 ppm2      5.250
 ASSI { 3483}
     (segid "    " and resid "96  " and name "HN  ")
     (segid "    " and resid "96  " and name "HA  ")
      2.800     1.000     1.000 peak  3483 weight  0.10000E+01 volume  0.10560E+01 ppm1      8.545 ppm2      4.018
 ASSI { 3515}
     (segid "    " and resid "100 " and name "HN  ")
     (segid "    " and resid "100 " and name "HA  ")
      2.900     1.100     1.100 peak  3515 weight  0.10000E+01 volume  0.74700E+00 ppm1      7.862 ppm2      4.489
 ASSI { 2499}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HN  ")
      2.600     0.800     0.800 peak  2499 weight  0.10000E+01 volume  0.15320E+01 ppm1      7.601 ppm2     10.343
 ASSI { 3144}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "79  " and name "HA  ")
      3.300     1.400     1.400 peak  3144 weight  0.10000E+01 volume  0.39200E+00 ppm1      9.411 ppm2      5.793
 ASSI { 2419}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD23")
      4.300     2.300     1.700 peak  2419 weight  0.10000E+01 volume  0.12600E+00 ppm1      6.572 ppm2     -0.066
 OR { 2419}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD21")
 OR { 2419}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "7   " and name "HD22")
 ASSI { 2526}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HN  ")
      2.700     0.900     0.900 peak  2526 weight  0.10000E+01 volume  0.11010E+01 ppm1      7.833 ppm2      8.999
 ASSI { 3320}
     (segid "    " and resid "79  " and name "HN  ")
     (segid "    " and resid "79  " and name "HA  ")
      3.600     1.600     1.600 peak  3320 weight  0.10000E+01 volume  0.20600E+00 ppm1      8.503 ppm2      5.809
 ASSI { 2474}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      4.000     2.000     2.000 peak  2474 weight  0.10000E+01 volume  0.11500E+00 ppm1      8.883 ppm2      5.495
 ASSI { 2972}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      2.300     0.700     0.700 peak  2972 weight  0.10000E+01 volume  0.28920E+01 ppm1      8.613 ppm2      5.483
 ASSI { 3123}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "79  " and name "HA  ")
      4.000     2.000     2.000 peak  3123 weight  0.10000E+01 volume  0.10700E+00 ppm1      8.765 ppm2      5.813
 ASSI { 7591}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HG2 ")
      4.000     2.000     2.000 peak  7591 weight  0.10000E+01 volume  0.15500E+00 ppm1      8.291 ppm2     -0.815
 ASSI { 3624}
     (segid "    " and resid "61  " and name "HE1 ")
     (segid "    " and resid "52  " and name "HG2 ")
      3.500     1.500     1.500 peak  3624 weight  0.10000E+01 volume  0.31700E+00 ppm1      9.735 ppm2     -0.809
 ASSI { 3426}
     (segid "    " and resid "91  " and name "HN  ")
     (segid "    " and resid "90  " and name "HA  ")
      2.300     0.700     0.700 peak  3426 weight  0.10000E+01 volume  0.33060E+01 ppm1      9.060 ppm2      4.023
 ASSI { 2866}
     (segid "    " and resid "80  " and name "HN  ")
     (segid "    " and resid "79  " and name "HA  ")
      2.500     0.800     0.800 peak  2866 weight  0.10000E+01 volume  0.21110E+01 ppm1      8.866 ppm2      5.801

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1   7.091  13.755  -3.262
    2   2H    MET   1          2HT       MET   1   6.033  14.792  -4.079
    3   3H    MET   1          3HT       MET   1   6.961  15.375  -2.791
    4    HA   MET   1           HA       MET   1   8.048  14.373  -5.360
    5   1HB   MET   1          2HB       MET   1   6.749  16.491  -5.526
    6   2HB   MET   1          1HB       MET   1   7.797  17.203  -4.309
    7   1HG   MET   1          2HG       MET   1   9.714  16.940  -5.804
    8   2HG   MET   1          1HG       MET   1   8.660  16.228  -7.024
    9   1HE   MET   1          1HE       MET   1   9.196  18.755  -9.049
   10   2HE   MET   1          2HE       MET   1  10.345  17.980  -7.958
   11   3HE   MET   1          3HE       MET   1  10.120  19.728  -7.906
   12    H    GLY   2           H        GLY   2   9.993  13.535  -5.011
   13   1HA   GLY   2          2HA       GLY   2  12.328  14.200  -4.468
   14   2HA   GLY   2          1HA       GLY   2  11.703  14.738  -2.917
   15    HA   PRO   3           HA       PRO   3  12.869  10.200  -2.662
   16   1HB   PRO   3          2HB       PRO   3  15.441  10.481  -1.622
   17   2HB   PRO   3          1HB       PRO   3  15.028  10.096  -3.290
   18   1HG   PRO   3          1HG       PRO   3  16.238  12.467  -2.309
   19   2HG   PRO   3          2HG       PRO   3  15.748  12.109  -3.970
   20   1HD   PRO   3          1HD       PRO   3  14.401  13.736  -1.924
   21   2HD   PRO   3          2HD       PRO   3  14.248  13.777  -3.689
   22    H    MET   4           H        MET   4  11.942   9.370  -0.943
   23    HA   MET   4           HA       MET   4  12.561  10.451   1.735
   24   1HB   MET   4          1HB       MET   4  10.016   9.051   0.875
   25   2HB   MET   4          2HB       MET   4  10.336   9.764   2.446
   26   1HG   MET   4          2HG       MET   4  10.570  11.977   1.175
   27   2HG   MET   4          1HG       MET   4   9.779  11.128  -0.155
   28   1HE   MET   4          1HE       MET   4   7.436   9.794   0.218
   29   2HE   MET   4          2HE       MET   4   6.375  10.059   1.603
   30   3HE   MET   4          3HE       MET   4   7.867   9.136   1.798
   31    HA   PRO   5           HA       PRO   5  14.009   6.395   2.913
   32   1HB   PRO   5          1HB       PRO   5  12.768   5.923   5.319
   33   2HB   PRO   5          2HB       PRO   5  14.192   6.946   5.127
   34   1HG   PRO   5          1HG       PRO   5  11.318   7.724   5.347
   35   2HG   PRO   5          2HG       PRO   5  12.744   8.474   6.089
   36   1HD   PRO   5          1HD       PRO   5  11.568   9.515   3.916
   37   2HD   PRO   5          2HD       PRO   5  13.326   9.585   4.144
   38    H    LYS   6           H        LYS   6  13.412   4.555   2.011
   39    HA   LYS   6           HA       LYS   6  10.934   3.911   1.018
   40   1HB   LYS   6          1HB       LYS   6  13.140   2.024   1.850
   41   2HB   LYS   6          2HB       LYS   6  11.779   1.586   0.828
   42   1HG   LYS   6          2HG       LYS   6  12.510   3.211  -0.846
   43   2HG   LYS   6          1HG       LYS   6  13.876   3.650   0.179
   44   1HD   LYS   6          1HD       LYS   6  13.406   0.850  -0.833
   45   2HD   LYS   6          2HD       LYS   6  14.384   2.037  -1.695
   46   1HE   LYS   6          1HE       LYS   6  15.868   2.223   0.246
   47   2HE   LYS   6          2HE       LYS   6  14.889   1.035   1.107
   48   1HZ   LYS   6          1HZ       LYS   6  16.441  -0.352   0.273
   49   2HZ   LYS   6          2HZ       LYS   6  16.816   0.647  -1.039
   50   3HZ   LYS   6          3HZ       LYS   6  15.437  -0.330  -1.090
   51    H    LEU   7           H        LEU   7   9.151   2.896   1.681
   52    HA   LEU   7           HA       LEU   7   8.591   2.686   4.458
   53   1HB   LEU   7          2HB       LEU   7   7.059   1.832   2.000
   54   2HB   LEU   7          1HB       LEU   7   6.446   1.570   3.615
   55    HG   LEU   7           HG       LEU   7   5.370   3.496   2.666
   56   1HD1  LEU   7          1HD1      LEU   7   5.767   3.643   5.030
   57   2HD1  LEU   7          2HD1      LEU   7   5.928   5.241   4.301
   58   3HD1  LEU   7          3HD1      LEU   7   7.369   4.328   4.755
   59   1HD2  LEU   7          1HD2      LEU   7   6.335   4.900   1.268
   60   2HD2  LEU   7          2HD2      LEU   7   7.849   4.020   1.463
   61   3HD2  LEU   7          3HD2      LEU   7   7.490   5.397   2.504
   62    H    ALA   8           H        ALA   8   9.566   0.424   1.982
   63    HA   ALA   8           HA       ALA   8  10.088  -1.610   3.989
   64   1HB   ALA   8          1HB       ALA   8   8.841  -3.029   1.890
   65   2HB   ALA   8          2HB       ALA   8   7.756  -1.718   2.348
   66   3HB   ALA   8          3HB       ALA   8   8.310  -2.869   3.564
   67    H    ASP   9           H        ASP   9  10.847  -3.717   2.567
   68    HA   ASP   9           HA       ASP   9  12.869  -2.674   0.694
   69   1HB   ASP   9          2HB       ASP   9  13.029  -5.084   2.518
   70   2HB   ASP   9          1HB       ASP   9  14.275  -4.597   1.372
   71    H    ARG  10           H        ARG  10  10.802  -5.486   1.396
   72    HA   ARG  10           HA       ARG  10  10.827  -6.122  -1.486
   73   1HB   ARG  10          2HB       ARG  10  10.771  -8.089   0.804
   74   2HB   ARG  10          1HB       ARG  10  10.606  -8.509  -0.891
   75   1HG   ARG  10          1HG       ARG  10  12.865  -7.593  -1.294
   76   2HG   ARG  10          2HG       ARG  10  13.023  -7.306   0.440
   77   1HD   ARG  10          1HD       ARG  10  12.680  -9.702   0.844
   78   2HD   ARG  10          2HD       ARG  10  12.584  -9.970  -0.895
   79    HE   ARG  10           HE       ARG  10  14.993  -8.665  -0.337
   80   1HH1  ARG  10          1HH1      ARG  10  13.499 -11.787   0.232
   81   2HH1  ARG  10          2HH1      ARG  10  15.009 -12.630   0.278
   82   1HH2  ARG  10          1HH2      ARG  10  16.964  -9.789  -0.273
   83   2HH2  ARG  10          2HH2      ARG  10  16.970 -11.500  -0.008
   84    H    LYS  11           H        LYS  11   8.923  -7.162  -2.297
   85    HA   LYS  11           HA       LYS  11   6.496  -6.826  -0.675
   86   1HB   LYS  11          2HB       LYS  11   5.377  -5.876  -2.696
   87   2HB   LYS  11          1HB       LYS  11   6.649  -4.850  -2.044
   88   1HG   LYS  11          2HG       LYS  11   8.166  -5.992  -3.782
   89   2HG   LYS  11          1HG       LYS  11   6.657  -6.496  -4.543
   90   1HD   LYS  11          2HD       LYS  11   5.969  -4.221  -4.822
   91   2HD   LYS  11          1HD       LYS  11   7.348  -3.645  -3.881
   92   1HE   LYS  11          2HE       LYS  11   8.873  -4.526  -5.575
   93   2HE   LYS  11          1HE       LYS  11   7.497  -5.101  -6.518
   94   1HZ   LYS  11          1HZ       LYS  11   8.568  -2.425  -6.258
   95   2HZ   LYS  11          2HZ       LYS  11   6.881  -2.517  -6.197
   96   3HZ   LYS  11          3HZ       LYS  11   7.712  -3.130  -7.536
   97    H    LEU  12           H        LEU  12   4.545  -7.736  -2.061
   98    HA   LEU  12           HA       LEU  12   5.368 -10.316  -3.234
   99   1HB   LEU  12          2HB       LEU  12   2.925  -9.740  -1.549
  100   2HB   LEU  12          1HB       LEU  12   3.243 -11.257  -2.361
  101    HG   LEU  12           HG       LEU  12   4.941 -10.095  -0.145
  102   1HD1  LEU  12          1HD1      LEU  12   2.872 -10.725   0.807
  103   2HD1  LEU  12          2HD1      LEU  12   3.984 -12.057   1.124
  104   3HD1  LEU  12          3HD1      LEU  12   2.788 -12.194  -0.165
  105   1HD2  LEU  12          1HD2      LEU  12   5.907 -12.395  -0.097
  106   2HD2  LEU  12          2HD2      LEU  12   6.295 -11.481  -1.554
  107   3HD2  LEU  12          3HD2      LEU  12   5.053 -12.732  -1.604
  108    H    CYS  13           H        CYS  13   4.403 -10.925  -5.115
  109    HA   CYS  13           HA       CYS  13   2.185  -9.336  -6.189
  110   1HB   CYS  13          2HB       CYS  13   4.763  -9.898  -7.676
  111   2HB   CYS  13          1HB       CYS  13   3.327  -9.172  -8.383
  112    H    ALA  14           H        ALA  14   1.454 -10.372  -8.368
  113    HA   ALA  14           HA       ALA  14   0.953 -13.169  -7.864
  114   1HB   ALA  14          1HB       ALA  14  -0.912 -12.020  -8.708
  115   2HB   ALA  14          2HB       ALA  14  -0.328 -12.973 -10.074
  116   3HB   ALA  14          3HB       ALA  14   0.030 -11.247  -9.982
  117    H    ASP  15           H        ASP  15   2.933 -11.228  -9.963
  118    HA   ASP  15           HA       ASP  15   4.328 -13.632 -10.889
  119   1HB   ASP  15          2HB       ASP  15   3.388 -11.363 -12.658
  120   2HB   ASP  15          1HB       ASP  15   4.588 -12.552 -13.152
  121    H    GLN  16           H        GLN  16   6.474 -12.964 -11.951
  122    HA   GLN  16           HA       GLN  16   7.931 -11.402 -10.076
  123   1HB   GLN  16          1HB       GLN  16   8.836 -12.391 -12.784
  124   2HB   GLN  16          2HB       GLN  16   9.868 -11.859 -11.467
  125   1HG   GLN  16          2HG       GLN  16   9.113 -13.731 -10.103
  126   2HG   GLN  16          1HG       GLN  16   8.068 -14.266 -11.417
  127   1HE2  GLN  16          1HE2      GLN  16  10.926 -14.815  -9.950
  128   2HE2  GLN  16          2HE2      GLN  16  11.801 -15.539 -11.250
  129    H    GLU  17           H        GLU  17   6.113 -10.534 -12.787
  130    HA   GLU  17           HA       GLU  17   7.653  -8.149 -13.431
  131   1HB   GLU  17          2HB       GLU  17   5.103  -9.315 -14.556
  132   2HB   GLU  17          1HB       GLU  17   5.720  -7.751 -15.050
  133   1HG   GLU  17          1HG       GLU  17   6.412  -9.302 -16.686
  134   2HG   GLU  17          2HG       GLU  17   7.842  -8.914 -15.734
  135    H    CYS  18           H        CYS  18   5.037  -9.079 -11.402
  136    HA   CYS  18           HA       CYS  18   3.580  -7.972 -10.059
  137   1HB   CYS  18          1HB       CYS  18   5.658  -5.789 -10.337
  138   2HB   CYS  18          2HB       CYS  18   4.279  -5.679  -9.250
  139    H    SER  19           H        SER  19   3.273  -7.915 -12.927
  140    HA   SER  19           HA       SER  19   1.988  -5.373 -13.506
  141   1HB   SER  19          2HB       SER  19   3.480  -6.309 -15.185
  142   2HB   SER  19          1HB       SER  19   2.524  -7.776 -15.228
  143    HG   SER  19           HG       SER  19   1.774  -6.596 -16.901
  144    H    HIS  20           H        HIS  20   1.162  -8.320 -12.189
  145    HA   HIS  20           HA       HIS  20  -1.600  -8.254 -13.171
  146   1HB   HIS  20          2HB       HIS  20   0.162 -10.360 -12.056
  147   2HB   HIS  20          1HB       HIS  20  -1.540 -10.467 -11.647
  148    HD1  HIS  20           HD1      HIS  20  -1.117 -12.754 -13.028
  149    HD2  HIS  20           HD2      HIS  20  -1.275  -9.248 -15.243
  150    HE1  HIS  20           HE1      HIS  20  -1.691 -13.472 -15.349
  151    HE2  HIS  20           HE2      HIS  20  -1.847 -11.328 -16.677
  152    HA   PRO  21           HA       PRO  21  -2.954  -6.893  -9.132
  153   1HB   PRO  21          1HB       PRO  21  -5.645  -7.254  -9.495
  154   2HB   PRO  21          2HB       PRO  21  -4.723  -5.930 -10.211
  155   1HG   PRO  21          1HG       PRO  21  -5.966  -8.185 -11.523
  156   2HG   PRO  21          2HG       PRO  21  -5.212  -6.757 -12.245
  157   1HD   PRO  21          1HD       PRO  21  -4.119  -9.447 -11.872
  158   2HD   PRO  21          2HD       PRO  21  -3.539  -8.122 -12.906
  159    H    ILE  22           H        ILE  22  -2.704  -8.016  -7.296
  160    HA   ILE  22           HA       ILE  22  -3.145 -10.787  -7.038
  161    HB   ILE  22           HB       ILE  22  -2.917  -8.767  -4.795
  162   1HG1  ILE  22          2HG1      ILE  22  -0.712 -10.441  -6.021
  163   2HG1  ILE  22          1HG1      ILE  22  -1.028  -8.769  -6.489
  164   1HG2  ILE  22          1HG2      ILE  22  -1.913 -11.515  -4.438
  165   2HG2  ILE  22          2HG2      ILE  22  -3.666 -11.371  -4.573
  166   3HG2  ILE  22          3HG2      ILE  22  -2.799 -10.478  -3.322
  167   1HD1  ILE  22          1HD1      ILE  22  -0.006  -9.828  -3.882
  168   2HD1  ILE  22          2HD1      ILE  22  -0.725  -8.222  -4.007
  169   3HD1  ILE  22          3HD1      ILE  22   0.710  -8.623  -4.953
  170    H    SER  23           H        SER  23  -4.893  -8.126  -5.385
  171    HA   SER  23           HA       SER  23  -7.359  -9.681  -5.652
  172   1HB   SER  23          2HB       SER  23  -6.367  -8.547  -3.028
  173   2HB   SER  23          1HB       SER  23  -7.923  -9.333  -3.286
  174    HG   SER  23           HG       SER  23  -6.562 -10.877  -2.498
  175    H    MET  24           H        MET  24  -9.219  -8.538  -5.685
  176    HA   MET  24           HA       MET  24  -9.040  -5.687  -6.221
  177   1HB   MET  24          2HB       MET  24 -10.267  -7.175  -7.745
  178   2HB   MET  24          1HB       MET  24 -11.331  -7.652  -6.433
  179   1HG   MET  24          2HG       MET  24 -11.156  -4.768  -7.049
  180   2HG   MET  24          1HG       MET  24 -11.961  -5.805  -8.218
  181   1HE   MET  24          1HE       MET  24 -14.038  -3.492  -6.428
  182   2HE   MET  24          2HE       MET  24 -15.170  -4.716  -7.004
  183   3HE   MET  24          3HE       MET  24 -13.769  -4.280  -7.983
  184    H    ALA  25           H        ALA  25  -9.417  -4.243  -4.644
  185    HA   ALA  25           HA       ALA  25 -11.050  -5.099  -2.340
  186   1HB   ALA  25          1HB       ALA  25  -9.300  -4.723  -1.041
  187   2HB   ALA  25          2HB       ALA  25  -9.345  -3.022  -1.506
  188   3HB   ALA  25          3HB       ALA  25  -8.357  -4.160  -2.421
  189    H    VAL  26           H        VAL  26 -12.318  -3.597  -1.279
  190    HA   VAL  26           HA       VAL  26 -13.114  -1.278  -2.929
  191    HB   VAL  26           HB       VAL  26 -14.679  -2.601  -0.694
  192   1HG1  VAL  26          1HG2      VAL  26 -16.487  -1.360  -2.316
  193   2HG1  VAL  26          2HG2      VAL  26 -15.125  -0.243  -2.378
  194   3HG1  VAL  26          3HG2      VAL  26 -15.836  -0.680  -0.824
  195   1HG2  VAL  26          1HG1      VAL  26 -14.765  -4.277  -2.239
  196   2HG2  VAL  26          2HG1      VAL  26 -14.501  -3.188  -3.600
  197   3HG2  VAL  26          3HG1      VAL  26 -16.088  -3.276  -2.837
  198    H    ALA  27           H        ALA  27 -13.206   0.793  -2.059
  199    HA   ALA  27           HA       ALA  27 -11.585   1.269   0.294
  200   1HB   ALA  27          1HB       ALA  27 -11.222   3.311  -0.553
  201   2HB   ALA  27          2HB       ALA  27 -12.926   3.569  -0.933
  202   3HB   ALA  27          3HB       ALA  27 -11.910   2.632  -2.028
  203    H    LEU  28           H        LEU  28 -12.249   1.832   2.268
  204    HA   LEU  28           HA       LEU  28 -15.132   2.020   2.753
  205   1HB   LEU  28          2HB       LEU  28 -12.811   1.103   4.382
  206   2HB   LEU  28          1HB       LEU  28 -14.220   1.730   5.214
  207    HG   LEU  28           HG       LEU  28 -15.596   0.004   3.989
  208   1HD1  LEU  28          1HD1      LEU  28 -14.237  -2.001   3.225
  209   2HD1  LEU  28          2HD1      LEU  28 -12.859  -0.904   3.152
  210   3HD1  LEU  28          3HD1      LEU  28 -14.276  -0.607   2.146
  211   1HD2  LEU  28          1HD2      LEU  28 -13.544  -0.540   6.057
  212   2HD2  LEU  28          2HD2      LEU  28 -14.412  -1.918   5.377
  213   3HD2  LEU  28          3HD2      LEU  28 -15.304  -0.611   6.156
  214    H    GLN  29           H        GLN  29 -12.314   3.998   2.777
  215    HA   GLN  29           HA       GLN  29 -13.896   6.197   3.816
  216   1HB   GLN  29          1HB       GLN  29 -12.138   6.865   5.467
  217   2HB   GLN  29          2HB       GLN  29 -13.016   5.403   5.886
  218   1HG   GLN  29          2HG       GLN  29 -11.158   4.037   5.160
  219   2HG   GLN  29          1HG       GLN  29 -10.285   5.468   4.622
  220   1HE2  GLN  29          1HE2      GLN  29 -11.669   6.616   7.296
  221   2HE2  GLN  29          2HE2      GLN  29 -10.493   6.182   8.477
  222    H    ASP  30           H        ASP  30 -12.320   8.229   4.020
  223    HA   ASP  30           HA       ASP  30 -11.262   8.611   1.344
  224   1HB   ASP  30          2HB       ASP  30 -11.647  10.556   3.629
  225   2HB   ASP  30          1HB       ASP  30 -11.131  10.995   2.004
  226    H    TYR  31           H        TYR  31  -9.223   9.493   0.879
  227    HA   TYR  31           HA       TYR  31  -7.178   9.609   2.928
  228   1HB   TYR  31          2HB       TYR  31  -7.280   7.180   2.114
  229   2HB   TYR  31          1HB       TYR  31  -6.740   7.785   0.555
  230    HD1  TYR  31           HD1      TYR  31  -4.474   7.817   0.105
  231    HD2  TYR  31           HD2      TYR  31  -5.739   7.928   4.169
  232    HE1  TYR  31           HE1      TYR  31  -2.129   7.714   0.835
  233    HE2  TYR  31           HE2      TYR  31  -3.400   7.831   4.906
  234    HH   TYR  31           HH       TYR  31  -0.919   6.887   3.030
  235    H    MET  32           H        MET  32  -5.659  11.111   2.434
  236    HA   MET  32           HA       MET  32  -5.756  12.298  -0.262
  237   1HB   MET  32          2HB       MET  32  -4.952  13.530   2.378
  238   2HB   MET  32          1HB       MET  32  -4.810  14.341   0.826
  239   1HG   MET  32          1HG       MET  32  -7.252  14.127   0.544
  240   2HG   MET  32          2HG       MET  32  -7.337  13.413   2.153
  241   1HE   MET  32          1HE       MET  32  -8.877  17.072   2.251
  242   2HE   MET  32          2HE       MET  32  -9.114  15.548   3.104
  243   3HE   MET  32          3HE       MET  32  -9.092  15.577   1.341
  244    H    ALA  33           H        ALA  33  -3.955  12.351  -1.490
  245    HA   ALA  33           HA       ALA  33  -1.621  10.916  -0.533
  246   1HB   ALA  33          1HB       ALA  33  -2.132  10.217  -2.654
  247   2HB   ALA  33          2HB       ALA  33  -0.889  11.423  -2.986
  248   3HB   ALA  33          3HB       ALA  33  -2.592  11.830  -3.195
  249    HA   PRO  34           HA       PRO  34   0.366  14.931   0.276
  250   1HB   PRO  34          2HB       PRO  34   2.400  13.449   1.709
  251   2HB   PRO  34          1HB       PRO  34   1.196  14.566   2.351
  252   1HG   PRO  34          2HG       PRO  34   1.169  11.903   2.855
  253   2HG   PRO  34          1HG       PRO  34  -0.310  12.885   2.780
  254   1HD   PRO  34          2HD       PRO  34   0.898  11.115   0.675
  255   2HD   PRO  34          1HD       PRO  34  -0.792  11.253   1.196
  256    H    ASP  35           H        ASP  35   2.488  12.082  -0.158
  257    HA   ASP  35           HA       ASP  35   4.339  13.663  -1.752
  258   1HB   ASP  35          2HB       ASP  35   5.080  12.116   0.100
  259   2HB   ASP  35          1HB       ASP  35   4.587  10.770  -0.916
  260    H    CYS  36           H        CYS  36   5.312  12.606  -3.669
  261    HA   CYS  36           HA       CYS  36   3.491  12.292  -5.743
  262   1HB   CYS  36          2HB       CYS  36   5.631  13.061  -6.298
  263   2HB   CYS  36          1HB       CYS  36   6.429  11.749  -5.443
  264    H    ARG  37           H        ARG  37   5.243   9.783  -3.913
  265    HA   ARG  37           HA       ARG  37   4.258   7.687  -5.613
  266   1HB   ARG  37          2HB       ARG  37   5.356   6.152  -4.007
  267   2HB   ARG  37          1HB       ARG  37   6.421   7.386  -4.658
  268   1HG   ARG  37          2HG       ARG  37   6.238   8.658  -2.589
  269   2HG   ARG  37          1HG       ARG  37   5.140   7.441  -1.933
  270   1HD   ARG  37          2HD       ARG  37   6.859   6.205  -1.261
  271   2HD   ARG  37          1HD       ARG  37   7.483   6.137  -2.907
  272    HE   ARG  37           HE       ARG  37   8.540   7.647  -0.759
  273   1HH1  ARG  37          1HH1      ARG  37   8.075   7.823  -4.243
  274   2HH1  ARG  37          2HH1      ARG  37   9.378   8.937  -4.469
  275   1HH2  ARG  37          1HH2      ARG  37  10.242   9.097  -1.097
  276   2HH2  ARG  37          2HH2      ARG  37  10.603   9.651  -2.697
  277    H    PHE  38           H        PHE  38   2.557   9.414  -3.433
  278    HA   PHE  38           HA       PHE  38   1.089   7.090  -2.391
  279   1HB   PHE  38          2HB       PHE  38   1.180   9.979  -1.555
  280   2HB   PHE  38          1HB       PHE  38  -0.137   8.934  -1.044
  281    HD1  PHE  38           HD1      PHE  38   3.621   8.882  -1.122
  282    HD2  PHE  38           HD2      PHE  38   0.055   7.941   1.004
  283    HE1  PHE  38           HE1      PHE  38   4.965   8.085   0.774
  284    HE2  PHE  38           HE2      PHE  38   1.397   7.142   2.902
  285    HZ   PHE  38           HZ       PHE  38   3.854   7.212   2.790
  286    H    LEU  39           H        LEU  39  -1.248   7.041  -2.510
  287    HA   LEU  39           HA       LEU  39  -2.291   8.445  -4.892
  288   1HB   LEU  39          2HB       LEU  39  -2.427   5.632  -4.040
  289   2HB   LEU  39          1HB       LEU  39  -3.942   6.296  -4.614
  290    HG   LEU  39           HG       LEU  39  -1.395   6.424  -6.228
  291   1HD1  LEU  39          1HD1      LEU  39  -1.866   4.413  -7.234
  292   2HD1  LEU  39          2HD1      LEU  39  -3.571   4.465  -6.787
  293   3HD1  LEU  39          3HD1      LEU  39  -2.354   4.075  -5.573
  294   1HD2  LEU  39          1HD2      LEU  39  -3.167   8.022  -6.831
  295   2HD2  LEU  39          2HD2      LEU  39  -4.302   6.680  -7.003
  296   3HD2  LEU  39          3HD2      LEU  39  -2.916   6.809  -8.088
  297    H    THR  40           H        THR  40  -4.272   9.395  -4.836
  298    HA   THR  40           HA       THR  40  -5.483   9.783  -2.209
  299    HB   THR  40           HB       THR  40  -6.068  11.097  -4.882
  300    HG1  THR  40           HG1      THR  40  -4.977  12.852  -3.975
  301   1HG2  THR  40          1HG2      THR  40  -7.392  12.709  -3.774
  302   2HG2  THR  40          2HG2      THR  40  -6.977  12.063  -2.185
  303   3HG2  THR  40          3HG2      THR  40  -8.001  11.130  -3.277
  304    H    ILE  41           H        ILE  41  -7.173   8.609  -1.567
  305    HA   ILE  41           HA       ILE  41  -8.915   7.395  -3.618
  306    HB   ILE  41           HB       ILE  41  -7.842   6.074  -1.111
  307   1HG1  ILE  41          1HG1      ILE  41  -7.673   5.106  -3.968
  308   2HG1  ILE  41          2HG1      ILE  41  -6.454   6.175  -3.277
  309   1HG2  ILE  41          1HG2      ILE  41  -9.247   4.158  -2.547
  310   2HG2  ILE  41          2HG2      ILE  41 -10.297   5.574  -2.593
  311   3HG2  ILE  41          3HG2      ILE  41  -9.761   4.923  -1.044
  312   1HD1  ILE  41          1HD1      ILE  41  -6.639   4.149  -1.422
  313   2HD1  ILE  41          2HD1      ILE  41  -5.398   4.321  -2.663
  314   3HD1  ILE  41          3HD1      ILE  41  -6.815   3.316  -2.967
  315    H    HIS  42           H        HIS  42 -10.977   7.935  -3.416
  316    HA   HIS  42           HA       HIS  42 -11.938   9.124  -0.939
  317   1HB   HIS  42          2HB       HIS  42 -13.114   8.890  -3.706
  318   2HB   HIS  42          1HB       HIS  42 -14.051   9.472  -2.337
  319    HD1  HIS  42           HD1      HIS  42 -12.526  11.515  -1.000
  320    HD2  HIS  42           HD2      HIS  42 -12.128  10.971  -5.100
  321    HE1  HIS  42           HE1      HIS  42 -11.605  13.683  -1.879
  322    HE2  HIS  42           HE2      HIS  42 -11.456  13.360  -4.373
  323    H    ARG  43           H        ARG  43 -14.033   8.456  -0.064
  324    HA   ARG  43           HA       ARG  43 -14.090   5.714   0.555
  325   1HB   ARG  43          2HB       ARG  43 -14.919   7.524   2.031
  326   2HB   ARG  43          1HB       ARG  43 -16.261   7.787   0.932
  327   1HG   ARG  43          1HG       ARG  43 -17.078   5.535   1.401
  328   2HG   ARG  43          2HG       ARG  43 -15.723   5.276   2.498
  329   1HD   ARG  43          2HD       ARG  43 -16.507   7.226   3.827
  330   2HD   ARG  43          1HD       ARG  43 -17.922   7.317   2.783
  331    HE   ARG  43           HE       ARG  43 -17.486   5.502   4.936
  332   1HH1  ARG  43          1HH1      ARG  43 -19.147   5.837   1.863
  333   2HH1  ARG  43          2HH1      ARG  43 -20.329   4.631   2.240
  334   1HH2  ARG  43          1HH2      ARG  43 -19.047   3.926   5.412
  335   2HH2  ARG  43          2HH2      ARG  43 -20.274   3.550   4.248
  336    H    GLY  44           H        GLY  44 -14.757   4.071  -0.669
  337   1HA   GLY  44          2HA       GLY  44 -16.561   2.904  -1.724
  338   2HA   GLY  44          1HA       GLY  44 -17.167   4.440  -2.315
  339    H    GLN  45           H        GLN  45 -13.885   4.523  -2.861
  340    HA   GLN  45           HA       GLN  45 -14.267   4.101  -5.674
  341   1HB   GLN  45          1HB       GLN  45 -11.778   4.712  -4.073
  342   2HB   GLN  45          2HB       GLN  45 -11.790   4.517  -5.818
  343   1HG   GLN  45          2HG       GLN  45 -13.450   6.370  -5.947
  344   2HG   GLN  45          1HG       GLN  45 -13.214   6.625  -4.220
  345   1HE2  GLN  45          1HE2      GLN  45 -10.257   5.672  -5.425
  346   2HE2  GLN  45          2HE2      GLN  45  -9.584   7.227  -5.729
  347    H    VAL  46           H        VAL  46 -13.184   2.647  -7.022
  348    HA   VAL  46           HA       VAL  46 -12.769   0.010  -5.836
  349    HB   VAL  46           HB       VAL  46 -12.735   0.772  -8.768
  350   1HG1  VAL  46          1HG1      VAL  46 -13.449  -1.705  -8.924
  351   2HG1  VAL  46          2HG1      VAL  46 -12.795  -1.829  -7.291
  352   3HG1  VAL  46          3HG1      VAL  46 -11.755  -1.321  -8.622
  353   1HG2  VAL  46          1HG2      VAL  46 -14.897   1.284  -7.487
  354   2HG2  VAL  46          2HG2      VAL  46 -15.085  -0.466  -7.379
  355   3HG2  VAL  46          3HG2      VAL  46 -15.012   0.317  -8.959
  356    H    VAL  47           H        VAL  47 -10.743  -0.499  -5.200
  357    HA   VAL  47           HA       VAL  47  -8.504   0.555  -6.808
  358    HB   VAL  47           HB       VAL  47  -8.375   0.054  -3.829
  359   1HG1  VAL  47          1HG1      VAL  47  -6.512   1.733  -5.477
  360   2HG1  VAL  47          2HG1      VAL  47  -6.275  -0.006  -5.291
  361   3HG1  VAL  47          3HG1      VAL  47  -6.258   1.044  -3.874
  362   1HG2  VAL  47          1HG2      VAL  47  -9.902   1.998  -4.747
  363   2HG2  VAL  47          2HG2      VAL  47  -8.350   2.811  -4.957
  364   3HG2  VAL  47          3HG2      VAL  47  -8.843   2.247  -3.359
  365    H    TYR  48           H        TYR  48  -7.230  -0.898  -7.681
  366    HA   TYR  48           HA       TYR  48  -7.416  -3.694  -6.853
  367   1HB   TYR  48          2HB       TYR  48  -6.316  -2.340  -9.316
  368   2HB   TYR  48          1HB       TYR  48  -5.970  -4.023  -8.965
  369    HD1  TYR  48           HD1      TYR  48  -7.144  -5.411 -10.344
  370    HD2  TYR  48           HD2      TYR  48  -9.118  -1.945  -8.861
  371    HE1  TYR  48           HE1      TYR  48  -9.200  -6.089 -11.505
  372    HE2  TYR  48           HE2      TYR  48 -11.176  -2.621 -10.014
  373    HH   TYR  48           HH       TYR  48 -11.561  -4.264 -12.285
  374    H    VAL  49           H        VAL  49  -5.858  -4.672  -5.722
  375    HA   VAL  49           HA       VAL  49  -3.449  -3.181  -5.042
  376    HB   VAL  49           HB       VAL  49  -4.331  -5.890  -4.012
  377   1HG1  VAL  49          1HG1      VAL  49  -2.882  -4.957  -2.020
  378   2HG1  VAL  49          2HG1      VAL  49  -2.126  -4.017  -3.307
  379   3HG1  VAL  49          3HG1      VAL  49  -2.130  -5.779  -3.388
  380   1HG2  VAL  49          1HG2      VAL  49  -5.319  -4.804  -2.134
  381   2HG2  VAL  49          2HG2      VAL  49  -5.978  -4.047  -3.584
  382   3HG2  VAL  49          3HG2      VAL  49  -4.722  -3.228  -2.656
  383    H    PHE  50           H        PHE  50  -1.594  -3.458  -6.107
  384    HA   PHE  50           HA       PHE  50  -1.271  -5.828  -7.799
  385   1HB   PHE  50          2HB       PHE  50  -0.062  -3.081  -7.873
  386   2HB   PHE  50          1HB       PHE  50   0.703  -4.420  -8.722
  387    HD1  PHE  50           HD1      PHE  50  -2.607  -2.701  -8.419
  388    HD2  PHE  50           HD2      PHE  50   0.087  -4.893 -10.882
  389    HE1  PHE  50           HE1      PHE  50  -4.098  -2.363 -10.345
  390    HE2  PHE  50           HE2      PHE  50  -1.401  -4.556 -12.811
  391    HZ   PHE  50           HZ       PHE  50  -3.496  -3.290 -12.545
  392    H    SER  51           H        SER  51   0.271  -4.096  -5.149
  393    HA   SER  51           HA       SER  51   1.920  -6.451  -4.645
  394   1HB   SER  51          2HB       SER  51   3.946  -5.063  -4.294
  395   2HB   SER  51          1HB       SER  51   3.397  -5.050  -5.968
  396    HG   SER  51           HG       SER  51   2.411  -3.026  -5.541
  397    H    LYS  52           H        LYS  52   2.506  -6.772  -2.526
  398    HA   LYS  52           HA       LYS  52   1.379  -4.869  -0.564
  399   1HB   LYS  52          2HB       LYS  52   1.686  -7.851  -0.147
  400   2HB   LYS  52          1HB       LYS  52   0.877  -6.710   0.909
  401   1HG   LYS  52          1HG       LYS  52  -0.850  -6.349  -0.754
  402   2HG   LYS  52          2HG       LYS  52  -0.028  -7.445  -1.867
  403   1HD   LYS  52          1HD       LYS  52  -0.334  -9.283  -0.278
  404   2HD   LYS  52          2HD       LYS  52  -1.158  -8.186   0.833
  405   1HE   LYS  52          2HE       LYS  52  -2.899  -7.796  -0.841
  406   2HE   LYS  52          1HE       LYS  52  -2.075  -8.894  -1.953
  407   1HZ   LYS  52          1HZ       LYS  52  -3.844 -10.059  -0.876
  408   2HZ   LYS  52          2HZ       LYS  52  -3.299  -9.602   0.658
  409   3HZ   LYS  52          3HZ       LYS  52  -2.382 -10.667  -0.281
  410    H    LEU  53           H        LEU  53   2.926  -3.853   0.572
  411    HA   LEU  53           HA       LEU  53   5.641  -4.820   0.520
  412   1HB   LEU  53          1HB       LEU  53   4.506  -2.492   2.073
  413   2HB   LEU  53          2HB       LEU  53   6.197  -2.784   1.706
  414    HG   LEU  53           HG       LEU  53   4.100  -2.232  -0.398
  415   1HD1  LEU  53          1HD2      LEU  53   4.433  -0.012  -0.225
  416   2HD1  LEU  53          2HD2      LEU  53   6.123  -0.191   0.249
  417   3HD1  LEU  53          3HD2      LEU  53   4.843  -0.420   1.441
  418   1HD2  LEU  53          1HD1      LEU  53   6.847  -3.075  -0.507
  419   2HD2  LEU  53          2HD1      LEU  53   6.654  -1.494  -1.265
  420   3HD2  LEU  53          3HD1      LEU  53   5.686  -2.862  -1.818
  421    H    LYS  54           H        LYS  54   6.868  -5.624   2.178
  422    HA   LYS  54           HA       LYS  54   5.557  -6.081   4.775
  423   1HB   LYS  54          1HB       LYS  54   7.072  -8.160   3.185
  424   2HB   LYS  54          2HB       LYS  54   6.565  -8.357   4.853
  425   1HG   LYS  54          2HG       LYS  54   4.228  -8.164   4.156
  426   2HG   LYS  54          1HG       LYS  54   4.754  -8.006   2.479
  427   1HD   LYS  54          1HD       LYS  54   4.229 -10.258   2.638
  428   2HD   LYS  54          2HD       LYS  54   5.971 -10.247   2.889
  429   1HE   LYS  54          1HE       LYS  54   4.007 -10.208   5.166
  430   2HE   LYS  54          2HE       LYS  54   4.605 -11.706   4.456
  431   1HZ   LYS  54          1HZ       LYS  54   6.901 -10.546   4.919
  432   2HZ   LYS  54          2HZ       LYS  54   6.103 -11.428   6.120
  433   3HZ   LYS  54          3HZ       LYS  54   6.004  -9.740   6.106
  434    H    GLY  55           H        GLY  55   7.294  -7.062   6.346
  435   1HA   GLY  55          2HA       GLY  55   9.458  -7.014   7.241
  436   2HA   GLY  55          1HA       GLY  55   9.975  -6.025   5.884
  437    H    ARG  56           H        ARG  56   9.971  -3.834   6.055
  438    HA   ARG  56           HA       ARG  56   9.831  -2.739   8.712
  439   1HB   ARG  56          1HB       ARG  56  10.401  -1.409   6.055
  440   2HB   ARG  56          2HB       ARG  56  10.578  -0.640   7.625
  441   1HG   ARG  56          1HG       ARG  56  12.100  -3.101   6.807
  442   2HG   ARG  56          2HG       ARG  56  12.700  -1.457   6.586
  443   1HD   ARG  56          2HD       ARG  56  12.518  -1.083   9.011
  444   2HD   ARG  56          1HD       ARG  56  11.963  -2.742   9.215
  445    HE   ARG  56           HE       ARG  56  14.653  -1.860   8.906
  446   1HH1  ARG  56          1HH1      ARG  56  12.531  -4.582   8.255
  447   2HH1  ARG  56          2HH1      ARG  56  13.832  -5.722   8.184
  448   1HH2  ARG  56          1HH2      ARG  56  16.338  -3.374   8.810
  449   2HH2  ARG  56          2HH2      ARG  56  15.984  -5.041   8.498
  450    H    GLY  57           H        GLY  57   7.710  -2.941   6.012
  451   1HA   GLY  57          1HA       GLY  57   5.730  -1.337   7.458
  452   2HA   GLY  57          2HA       GLY  57   6.100  -0.890   5.799
  453    H    ARG  58           H        ARG  58   5.211  -3.749   7.723
  454    HA   ARG  58           HA       ARG  58   4.077  -5.122   5.499
  455   1HB   ARG  58          1HB       ARG  58   3.284  -6.749   7.184
  456   2HB   ARG  58          2HB       ARG  58   4.997  -6.402   7.321
  457   1HG   ARG  58          1HG       ARG  58   4.562  -6.200   9.500
  458   2HG   ARG  58          2HG       ARG  58   3.927  -4.616   9.064
  459   1HD   ARG  58          2HD       ARG  58   2.330  -5.781  10.455
  460   2HD   ARG  58          1HD       ARG  58   1.685  -5.590   8.826
  461    HE   ARG  58           HE       ARG  58   2.962  -8.076   8.986
  462   1HH1  ARG  58          1HH1      ARG  58   0.119  -6.482  10.284
  463   2HH1  ARG  58          2HH1      ARG  58  -0.768  -7.957  10.461
  464   1HH2  ARG  58          1HH2      ARG  58   1.780 -10.000   9.224
  465   2HH2  ARG  58          2HH2      ARG  58   0.171  -9.948   9.862
  466    H    LEU  59           H        LEU  59   2.939  -2.532   7.255
  467    HA   LEU  59           HA       LEU  59   0.121  -3.267   6.995
  468   1HB   LEU  59          2HB       LEU  59   1.390  -0.817   8.231
  469   2HB   LEU  59          1HB       LEU  59  -0.327  -1.162   8.211
  470    HG   LEU  59           HG       LEU  59   0.474  -3.375   9.453
  471   1HD1  LEU  59          1HD1      LEU  59   2.895  -2.398   9.209
  472   2HD1  LEU  59          2HD1      LEU  59   2.402  -3.233  10.683
  473   3HD1  LEU  59          3HD1      LEU  59   2.434  -1.469  10.635
  474   1HD2  LEU  59          1HD2      LEU  59  -0.970  -2.355  10.807
  475   2HD2  LEU  59          2HD2      LEU  59  -0.447  -0.751  10.291
  476   3HD2  LEU  59          3HD2      LEU  59   0.435  -1.601  11.560
  477    H    PHE  60           H        PHE  60   2.510  -1.807   5.173
  478    HA   PHE  60           HA       PHE  60   0.645   0.002   3.816
  479   1HB   PHE  60          2HB       PHE  60   3.648  -0.158   3.862
  480   2HB   PHE  60          1HB       PHE  60   2.806   0.742   2.607
  481    HD1  PHE  60           HD1      PHE  60   2.868   0.456   6.347
  482    HD2  PHE  60           HD2      PHE  60   2.446   2.976   2.942
  483    HE1  PHE  60           HE1      PHE  60   2.745   2.421   7.820
  484    HE2  PHE  60           HE2      PHE  60   2.323   4.943   4.411
  485    HZ   PHE  60           HZ       PHE  60   2.472   4.669   6.853
  486    H    TRP  61           H        TRP  61  -0.055  -0.299   1.833
  487    HA   TRP  61           HA       TRP  61   0.972  -2.591   0.296
  488   1HB   TRP  61          1HB       TRP  61  -1.841  -1.606   0.728
  489   2HB   TRP  61          2HB       TRP  61  -1.434  -2.573  -0.683
  490    HD1  TRP  61           HD1      TRP  61   0.658  -4.127   1.778
  491    HE1  TRP  61           HE1      TRP  61  -0.483  -6.124   2.917
  492    HE3  TRP  61           HE3      TRP  61  -4.189  -3.153   0.468
  493    HZ2  TRP  61           HZ2      TRP  61  -3.090  -7.141   3.249
  494    HZ3  TRP  61           HZ3      TRP  61  -5.943  -4.686   1.248
  495    HH2  TRP  61           HH2      TRP  61  -5.408  -6.637   2.606
  496    H    GLY  62           H        GLY  62  -0.105  -2.279  -2.102
  497   1HA   GLY  62          2HA       GLY  62   0.041   0.451  -3.050
  498   2HA   GLY  62          1HA       GLY  62   1.447  -0.554  -3.504
  499    H    GLY  63           H        GLY  63  -0.311   0.635  -5.349
  500   1HA   GLY  63          2HA       GLY  63  -0.732  -1.301  -7.214
  501   2HA   GLY  63          1HA       GLY  63  -2.220  -1.301  -6.278
  502    H    SER  64           H        SER  64  -3.397  -0.632  -8.099
  503    HA   SER  64           HA       SER  64  -3.082   2.224  -8.749
  504   1HB   SER  64          1HB       SER  64  -2.362   0.822 -10.652
  505   2HB   SER  64          2HB       SER  64  -3.937   0.028 -10.653
  506    HG   SER  64           HG       SER  64  -3.416   2.014 -12.073
  507    H    VAL  65           H        VAL  65  -5.100   3.282  -9.440
  508    HA   VAL  65           HA       VAL  65  -7.439   2.082  -8.103
  509    HB   VAL  65           HB       VAL  65  -6.909   5.024  -8.593
  510   1HG1  VAL  65          1HG2      VAL  65  -8.829   4.338  -6.528
  511   2HG1  VAL  65          2HG2      VAL  65  -9.314   3.735  -8.112
  512   3HG1  VAL  65          3HG2      VAL  65  -8.982   5.453  -7.886
  513   1HG2  VAL  65          1HG1      VAL  65  -6.744   3.503  -5.995
  514   2HG2  VAL  65          2HG1      VAL  65  -6.415   5.216  -6.244
  515   3HG2  VAL  65          3HG1      VAL  65  -5.351   4.002  -6.954
  516    H    GLN  66           H        GLN  66  -9.069   1.483  -9.348
  517    HA   GLN  66           HA       GLN  66  -9.208   2.403 -12.119
  518   1HB   GLN  66          2HB       GLN  66  -9.320  -0.017 -11.716
  519   2HB   GLN  66          1HB       GLN  66 -10.727   0.210 -10.688
  520   1HG   GLN  66          2HG       GLN  66 -12.024   0.991 -12.577
  521   2HG   GLN  66          1HG       GLN  66 -10.614   0.860 -13.627
  522   1HE2  GLN  66          1HE2      GLN  66 -10.533  -0.900 -14.814
  523   2HE2  GLN  66          2HE2      GLN  66 -11.274  -2.417 -14.447
  524    H    GLY  67           H        GLY  67 -10.782   3.695 -12.894
  525   1HA   GLY  67          1HA       GLY  67 -13.311   4.133 -12.489
  526   2HA   GLY  67          2HA       GLY  67 -12.719   4.759 -10.958
  527    H    ASP  68           H        ASP  68 -10.553   6.174 -11.550
  528    HA   ASP  68           HA       ASP  68 -11.570   8.270 -13.349
  529   1HB   ASP  68          2HB       ASP  68  -9.670   8.449 -11.001
  530   2HB   ASP  68          1HB       ASP  68 -10.065   9.797 -12.057
  531    H    TYR  69           H        TYR  69 -10.594   8.425 -15.254
  532    HA   TYR  69           HA       TYR  69  -7.740   7.714 -15.436
  533   1HB   TYR  69          2HB       TYR  69  -9.965   7.164 -17.399
  534   2HB   TYR  69          1HB       TYR  69  -8.272   7.130 -17.872
  535    HD1  TYR  69           HD1      TYR  69  -7.020   5.183 -17.607
  536    HD2  TYR  69           HD2      TYR  69 -10.694   5.567 -15.492
  537    HE1  TYR  69           HE1      TYR  69  -6.862   2.831 -16.912
  538    HE2  TYR  69           HE2      TYR  69 -10.538   3.218 -14.786
  539    HH   TYR  69           HH       TYR  69  -9.042   1.010 -16.064
  540    H    TYR  70           H        TYR  70 -10.116   9.304 -17.560
  541    HA   TYR  70           HA       TYR  70  -9.840  11.014 -19.047
  542   1HB   TYR  70          1HB       TYR  70  -9.686  13.241 -17.814
  543   2HB   TYR  70          2HB       TYR  70 -11.002  12.164 -17.383
  544    HD1  TYR  70           HD1      TYR  70 -11.369  11.564 -15.165
  545    HD2  TYR  70           HD2      TYR  70  -7.640  13.318 -16.230
  546    HE1  TYR  70           HE1      TYR  70 -10.795  11.780 -12.786
  547    HE2  TYR  70           HE2      TYR  70  -7.055  13.529 -13.853
  548    HH   TYR  70           HH       TYR  70  -9.030  13.537 -11.466
  549    H    GLY  71           H        GLY  71  -7.525   9.669 -19.268
  550   1HA   GLY  71          2HA       GLY  71  -5.803  10.939 -20.724
  551   2HA   GLY  71          1HA       GLY  71  -5.382  11.685 -19.190
  552    H    ASP  72           H        ASP  72  -4.565  10.314 -17.486
  553    HA   ASP  72           HA       ASP  72  -3.498   7.752 -18.409
  554   1HB   ASP  72          2HB       ASP  72  -1.350   8.337 -17.114
  555   2HB   ASP  72          1HB       ASP  72  -1.585   9.055 -18.699
  556    H    LEU  73           H        LEU  73  -2.679   9.280 -15.330
  557    HA   LEU  73           HA       LEU  73  -3.056   8.767 -13.178
  558   1HB   LEU  73          2HB       LEU  73  -5.471   9.145 -14.031
  559   2HB   LEU  73          1HB       LEU  73  -5.630   7.406 -13.948
  560    HG   LEU  73           HG       LEU  73  -6.574   8.682 -12.001
  561   1HD1  LEU  73          1HD2      LEU  73  -5.710   7.153 -10.277
  562   2HD1  LEU  73          2HD2      LEU  73  -4.451   6.637 -11.400
  563   3HD1  LEU  73          3HD2      LEU  73  -6.147   6.331 -11.776
  564   1HD2  LEU  73          1HD1      LEU  73  -5.379  10.008 -10.660
  565   2HD2  LEU  73          2HD1      LEU  73  -4.253  10.083 -12.016
  566   3HD2  LEU  73          3HD1      LEU  73  -3.968   8.949 -10.696
  567    H    ALA  74           H        ALA  74  -4.669   5.880 -14.538
  568    HA   ALA  74           HA       ALA  74  -3.125   4.159 -12.835
  569   1HB   ALA  74          1HB       ALA  74  -4.919   3.213 -15.045
  570   2HB   ALA  74          2HB       ALA  74  -5.575   3.878 -13.549
  571   3HB   ALA  74          3HB       ALA  74  -4.554   2.440 -13.502
  572    H    ALA  75           H        ALA  75  -1.003   4.730 -13.685
  573    HA   ALA  75           HA       ALA  75  -0.049   2.808 -15.573
  574   1HB   ALA  75          1HB       ALA  75   0.984   4.566 -17.098
  575   2HB   ALA  75          2HB       ALA  75  -0.178   5.695 -16.402
  576   3HB   ALA  75          3HB       ALA  75  -0.746   4.273 -17.278
  577    H    ARG  76           H        ARG  76   0.401   5.268 -13.236
  578    HA   ARG  76           HA       ARG  76   3.302   4.830 -13.231
  579   1HB   ARG  76          2HB       ARG  76   3.470   6.950 -11.974
  580   2HB   ARG  76          1HB       ARG  76   2.721   7.159 -13.549
  581   1HG   ARG  76          2HG       ARG  76   0.495   7.102 -12.415
  582   2HG   ARG  76          1HG       ARG  76   1.347   7.103 -10.871
  583   1HD   ARG  76          2HD       ARG  76   1.530   9.232 -13.001
  584   2HD   ARG  76          1HD       ARG  76   0.622   9.350 -11.495
  585    HE   ARG  76           HE       ARG  76   3.282   8.775 -10.862
  586   1HH1  ARG  76          1HH1      ARG  76   1.422  11.406 -12.252
  587   2HH1  ARG  76          2HH1      ARG  76   2.524  12.624 -11.707
  588   1HH2  ARG  76          1HH2      ARG  76   4.716  10.389 -10.159
  589   2HH2  ARG  76          2HH2      ARG  76   4.386  12.050 -10.523
  590    H    LEU  77           H        LEU  77   0.547   3.959 -11.652
  591    HA   LEU  77           HA       LEU  77   0.032   2.882  -9.727
  592   1HB   LEU  77          1HB       LEU  77   2.999   2.366  -9.782
  593   2HB   LEU  77          2HB       LEU  77   1.950   1.689  -8.553
  594    HG   LEU  77           HG       LEU  77   1.518   1.204 -11.502
  595   1HD1  LEU  77          1HD1      LEU  77   3.652   0.254  -9.910
  596   2HD1  LEU  77          2HD1      LEU  77   3.200  -0.241 -11.541
  597   3HD1  LEU  77          3HD1      LEU  77   2.530  -1.087 -10.144
  598   1HD2  LEU  77          1HD2      LEU  77  -0.426   0.785 -10.134
  599   2HD2  LEU  77          2HD2      LEU  77   0.536  -0.171  -9.004
  600   3HD2  LEU  77          3HD2      LEU  77   0.267  -0.753 -10.649
  601    H    GLY  78           H        GLY  78   0.670   2.682  -7.274
  602   1HA   GLY  78          1HA       GLY  78   1.992   4.909  -6.063
  603   2HA   GLY  78          2HA       GLY  78   0.246   5.116  -6.045
  604    H    TYR  79           H        TYR  79   0.976   5.091  -3.624
  605    HA   TYR  79           HA       TYR  79   0.660   2.323  -2.666
  606   1HB   TYR  79          2HB       TYR  79   2.345   4.458  -1.331
  607   2HB   TYR  79          1HB       TYR  79   2.093   2.818  -0.739
  608    HD1  TYR  79           HD1      TYR  79   4.444   4.807  -2.179
  609    HD2  TYR  79           HD2      TYR  79   2.624   1.014  -2.822
  610    HE1  TYR  79           HE1      TYR  79   6.414   4.084  -3.454
  611    HE2  TYR  79           HE2      TYR  79   4.587   0.281  -4.106
  612    HH   TYR  79           HH       TYR  79   6.563   1.865  -5.511
  613    H    PHE  80           H        PHE  80  -0.481   2.031  -0.722
  614    HA   PHE  80           HA       PHE  80  -1.845   4.255   0.524
  615   1HB   PHE  80          2HB       PHE  80  -4.126   3.244   0.085
  616   2HB   PHE  80          1HB       PHE  80  -3.351   3.968  -1.320
  617    HD1  PHE  80           HD1      PHE  80  -4.283   0.769   0.284
  618    HD2  PHE  80           HD2      PHE  80  -2.779   2.661  -3.222
  619    HE1  PHE  80           HE1      PHE  80  -4.593  -1.321  -0.974
  620    HE2  PHE  80           HE2      PHE  80  -3.088   0.573  -4.481
  621    HZ   PHE  80           HZ       PHE  80  -3.995  -1.420  -3.359
  622    HA   PRO  81           HA       PRO  81  -1.607   1.434   3.982
  623   1HB   PRO  81          2HB       PRO  81  -3.946   2.659   5.235
  624   2HB   PRO  81          1HB       PRO  81  -2.253   2.737   5.726
  625   1HG   PRO  81          2HG       PRO  81  -3.573   4.882   4.746
  626   2HG   PRO  81          1HG       PRO  81  -1.838   4.621   4.474
  627   1HD   PRO  81          2HD       PRO  81  -4.146   4.077   2.636
  628   2HD   PRO  81          1HD       PRO  81  -2.575   4.829   2.278
  629    H    SER  82           H        SER  82  -2.440  -0.505   4.607
  630    HA   SER  82           HA       SER  82  -4.503  -1.702   3.103
  631   1HB   SER  82          2HB       SER  82  -4.186  -3.637   4.571
  632   2HB   SER  82          1HB       SER  82  -2.627  -2.953   4.115
  633    HG   SER  82           HG       SER  82  -2.895  -3.467   6.397
  634    H    SER  83           H        SER  83  -4.517   0.025   6.102
  635    HA   SER  83           HA       SER  83  -6.904  -0.955   7.218
  636   1HB   SER  83          2HB       SER  83  -6.822   1.071   8.632
  637   2HB   SER  83          1HB       SER  83  -5.269   0.240   8.552
  638    HG   SER  83           HG       SER  83  -4.557   2.141   8.005
  639    H    ILE  84           H        ILE  84  -6.494   1.163   4.505
  640    HA   ILE  84           HA       ILE  84  -9.164   2.294   4.925
  641    HB   ILE  84           HB       ILE  84  -8.772   3.814   3.122
  642   1HG1  ILE  84          1HG1      ILE  84  -6.006   2.679   2.749
  643   2HG1  ILE  84          2HG1      ILE  84  -7.375   2.131   1.778
  644   1HG2  ILE  84          1HG2      ILE  84  -7.484   5.203   4.336
  645   2HG2  ILE  84          2HG2      ILE  84  -6.161   4.044   4.464
  646   3HG2  ILE  84          3HG2      ILE  84  -7.563   3.903   5.525
  647   1HD1  ILE  84          1HD1      ILE  84  -7.491   4.885   1.633
  648   2HD1  ILE  84          2HD1      ILE  84  -6.901   3.783   0.389
  649   3HD1  ILE  84          3HD1      ILE  84  -5.771   4.511   1.530
  650    H    VAL  85           H        VAL  85  -7.935  -0.444   3.487
  651    HA   VAL  85           HA       VAL  85 -10.251  -0.538   1.660
  652    HB   VAL  85           HB       VAL  85  -8.996  -1.923   0.080
  653   1HG1  VAL  85          1HG1      VAL  85  -8.129   0.838   0.721
  654   2HG1  VAL  85          2HG1      VAL  85  -8.924   0.201  -0.718
  655   3HG1  VAL  85          3HG1      VAL  85  -7.197  -0.058  -0.478
  656   1HG2  VAL  85          1HG2      VAL  85  -7.274  -3.055   0.994
  657   2HG2  VAL  85          2HG2      VAL  85  -6.929  -1.787   2.174
  658   3HG2  VAL  85          3HG2      VAL  85  -6.350  -1.627   0.515
  659    H    ARG  86           H        ARG  86 -10.929  -2.738   1.067
  660    HA   ARG  86           HA       ARG  86 -10.362  -4.760   3.117
  661   1HB   ARG  86          2HB       ARG  86 -12.444  -3.525   3.714
  662   2HB   ARG  86          1HB       ARG  86 -13.148  -4.061   2.194
  663   1HG   ARG  86          1HG       ARG  86 -13.355  -6.235   2.894
  664   2HG   ARG  86          2HG       ARG  86 -12.046  -6.094   4.072
  665   1HD   ARG  86          2HD       ARG  86 -13.446  -4.668   5.457
  666   2HD   ARG  86          1HD       ARG  86 -14.762  -4.809   4.291
  667    HE   ARG  86           HE       ARG  86 -13.986  -7.383   5.081
  668   1HH1  ARG  86          1HH1      ARG  86 -15.564  -4.562   6.442
  669   2HH1  ARG  86          2HH1      ARG  86 -16.487  -5.485   7.579
  670   1HH2  ARG  86          1HH2      ARG  86 -15.206  -8.575   6.579
  671   2HH2  ARG  86          2HH2      ARG  86 -16.284  -7.755   7.657
  672    H    GLU  87           H        GLU  87  -9.637  -6.489   2.089
  673    HA   GLU  87           HA       GLU  87 -10.298  -6.939  -0.706
  674   1HB   GLU  87          1HB       GLU  87  -8.423  -8.432   1.134
  675   2HB   GLU  87          2HB       GLU  87  -8.599  -8.728  -0.589
  676   1HG   GLU  87          1HG       GLU  87  -7.885  -6.341  -0.947
  677   2HG   GLU  87          2HG       GLU  87  -7.476  -6.299   0.766
  678    H    ASP  88           H        ASP  88 -11.827  -8.266  -1.370
  679    HA   ASP  88           HA       ASP  88 -12.709 -10.449   0.400
  680   1HB   ASP  88          1HB       ASP  88 -14.455  -8.671  -1.323
  681   2HB   ASP  88          2HB       ASP  88 -15.017 -10.112  -0.482
  682    H    GLN  89           H        GLN  89 -11.939  -9.316  -2.778
  683    HA   GLN  89           HA       GLN  89 -12.349 -12.038  -3.853
  684   1HB   GLN  89          2HB       GLN  89 -13.961 -10.650  -4.886
  685   2HB   GLN  89          1HB       GLN  89 -12.806  -9.350  -5.120
  686   1HG   GLN  89          1HG       GLN  89 -13.426 -10.501  -7.199
  687   2HG   GLN  89          2HG       GLN  89 -11.704 -10.563  -6.854
  688   1HE2  GLN  89          1HE2      GLN  89 -10.907 -12.346  -7.558
  689   2HE2  GLN  89          2HE2      GLN  89 -11.566 -13.926  -7.374
  690    H    THR  90           H        THR  90 -10.600 -13.055  -4.583
  691    HA   THR  90           HA       THR  90  -8.134 -11.502  -5.064
  692    HB   THR  90           HB       THR  90  -8.401 -14.443  -4.406
  693    HG1  THR  90           HG1      THR  90  -7.422 -12.437  -2.687
  694   1HG2  THR  90          1HG2      THR  90  -6.336 -14.255  -5.453
  695   2HG2  THR  90          2HG2      THR  90  -5.962 -14.122  -3.734
  696   3HG2  THR  90          3HG2      THR  90  -6.016 -12.674  -4.739
  697    H    LEU  91           H        LEU  91  -7.611 -11.277  -7.143
  698    HA   LEU  91           HA       LEU  91  -8.932 -12.874  -9.165
  699   1HB   LEU  91          1HB       LEU  91  -6.823 -10.806  -9.706
  700   2HB   LEU  91          2HB       LEU  91  -8.166 -11.288 -10.720
  701    HG   LEU  91           HG       LEU  91  -8.493  -9.773  -8.127
  702   1HD1  LEU  91          1HD2      LEU  91  -8.402  -8.732 -10.949
  703   2HD1  LEU  91          2HD2      LEU  91  -7.226  -8.418  -9.673
  704   3HD1  LEU  91          3HD2      LEU  91  -8.871  -7.797  -9.528
  705   1HD2  LEU  91          1HD1      LEU  91 -10.671  -9.176  -9.530
  706   2HD2  LEU  91          2HD1      LEU  91 -10.581 -10.577  -8.459
  707   3HD2  LEU  91          3HD1      LEU  91 -10.351 -10.779 -10.197
  708    H    LYS  92           H        LYS  92  -5.854 -12.768  -7.637
  709    HA   LYS  92           HA       LYS  92  -4.986 -15.196  -8.847
  710   1HB   LYS  92          2HB       LYS  92  -3.985 -12.689 -10.023
  711   2HB   LYS  92          1HB       LYS  92  -2.714 -13.789  -9.512
  712   1HG   LYS  92          1HG       LYS  92  -4.047 -15.579 -10.815
  713   2HG   LYS  92          2HG       LYS  92  -4.843 -14.202 -11.576
  714   1HD   LYS  92          2HD       LYS  92  -3.010 -14.900 -12.971
  715   2HD   LYS  92          1HD       LYS  92  -2.603 -13.346 -12.255
  716   1HE   LYS  92          2HE       LYS  92  -1.235 -14.464 -10.580
  717   2HE   LYS  92          1HE       LYS  92  -1.671 -16.035 -11.249
  718   1HZ   LYS  92          1HZ       LYS  92   0.040 -15.850 -12.621
  719   2HZ   LYS  92          2HZ       LYS  92   0.391 -14.296 -12.052
  720   3HZ   LYS  92          3HZ       LYS  92  -0.681 -14.500 -13.344
  721    HA   PRO  93           HA       PRO  93  -2.872 -15.464  -4.924
  722   1HB   PRO  93          1HB       PRO  93  -0.883 -17.161  -6.323
  723   2HB   PRO  93          2HB       PRO  93  -1.874 -17.524  -4.915
  724   1HG   PRO  93          1HG       PRO  93  -2.424 -18.611  -7.275
  725   2HG   PRO  93          2HG       PRO  93  -3.728 -18.076  -6.196
  726   1HD   PRO  93          2HD       PRO  93  -2.610 -16.734  -8.630
  727   2HD   PRO  93          1HD       PRO  93  -4.294 -16.895  -8.103
  728    H    GLY  94           H        GLY  94  -1.476 -14.137  -3.975
  729   1HA   GLY  94          1HA       GLY  94   0.696 -12.948  -5.567
  730   2HA   GLY  94          2HA       GLY  94   0.050 -12.301  -4.062
  731    H    LYS  95           H        LYS  95   1.873 -14.968  -5.435
  732    HA   LYS  95           HA       LYS  95   3.252 -15.289  -2.866
  733   1HB   LYS  95          1HB       LYS  95   3.595 -17.721  -3.721
  734   2HB   LYS  95          2HB       LYS  95   2.064 -17.254  -2.996
  735   1HG   LYS  95          2HG       LYS  95   1.024 -17.056  -5.134
  736   2HG   LYS  95          1HG       LYS  95   2.572 -17.286  -5.958
  737   1HD   LYS  95          2HD       LYS  95   2.700 -19.560  -4.984
  738   2HD   LYS  95          1HD       LYS  95   1.103 -19.311  -4.273
  739   1HE   LYS  95          2HE       LYS  95   0.155 -19.011  -6.506
  740   2HE   LYS  95          1HE       LYS  95   1.750 -19.257  -7.218
  741   1HZ   LYS  95          1HZ       LYS  95   0.023 -21.211  -6.969
  742   2HZ   LYS  95          2HZ       LYS  95   0.728 -21.336  -5.437
  743   3HZ   LYS  95          3HZ       LYS  95   1.687 -21.476  -6.822
  744    H    VAL  96           H        VAL  96   4.131 -13.554  -5.014
  745    HA   VAL  96           HA       VAL  96   6.688 -14.882  -5.669
  746    HB   VAL  96           HB       VAL  96   5.319 -12.764  -7.352
  747   1HG1  VAL  96          1HG1      VAL  96   7.844 -14.338  -7.873
  748   2HG1  VAL  96          2HG1      VAL  96   7.765 -12.630  -7.447
  749   3HG1  VAL  96          3HG1      VAL  96   7.098 -13.186  -8.983
  750   1HG2  VAL  96          1HG2      VAL  96   4.673 -15.428  -7.237
  751   2HG2  VAL  96          2HG2      VAL  96   5.827 -15.369  -8.569
  752   3HG2  VAL  96          3HG2      VAL  96   4.381 -14.361  -8.611
  753    H    ASP  97           H        ASP  97   8.191 -14.083  -4.360
  754    HA   ASP  97           HA       ASP  97   7.972 -11.442  -3.218
  755   1HB   ASP  97          2HB       ASP  97   8.798 -13.446  -1.956
  756   2HB   ASP  97          1HB       ASP  97  10.243 -13.423  -2.957
  757    H    VAL  98           H        VAL  98   8.597  -9.689  -4.252
  758    HA   VAL  98           HA       VAL  98  10.993  -9.788  -5.973
  759    HB   VAL  98           HB       VAL  98   8.614  -7.958  -6.404
  760   1HG1  VAL  98          1HG1      VAL  98  10.658  -7.017  -7.254
  761   2HG1  VAL  98          2HG1      VAL  98   9.678  -7.572  -8.611
  762   3HG1  VAL  98          3HG1      VAL  98  11.060  -8.526  -8.075
  763   1HG2  VAL  98          1HG2      VAL  98   8.754 -10.696  -6.990
  764   2HG2  VAL  98          2HG2      VAL  98   9.007  -9.860  -8.522
  765   3HG2  VAL  98          3HG2      VAL  98   7.561  -9.530  -7.568
  766    H    LYS  99           H        LYS  99  12.595  -8.519  -5.257
  767    HA   LYS  99           HA       LYS  99  12.126  -6.668  -3.093
  768   1HB   LYS  99          1HB       LYS  99  14.609  -6.318  -3.190
  769   2HB   LYS  99          2HB       LYS  99  14.114  -7.978  -2.923
  770   1HG   LYS  99          2HG       LYS  99  15.728  -8.334  -4.454
  771   2HG   LYS  99          1HG       LYS  99  14.378  -8.085  -5.554
  772   1HD   LYS  99          2HD       LYS  99  15.035  -5.741  -5.827
  773   2HD   LYS  99          1HD       LYS  99  16.384  -5.992  -4.719
  774   1HE   LYS  99          2HE       LYS  99  15.988  -7.412  -7.351
  775   2HE   LYS  99          1HE       LYS  99  17.086  -6.061  -7.075
  776   1HZ   LYS  99          1HZ       LYS  99  18.504  -7.804  -6.814
  777   2HZ   LYS  99          2HZ       LYS  99  17.317  -8.851  -6.216
  778   3HZ   LYS  99          3HZ       LYS  99  17.975  -7.659  -5.213
  779    H    THR 100           H        THR 100  13.183  -4.454  -3.165
  780    HA   THR 100           HA       THR 100  12.313  -3.108  -5.619
  781    HB   THR 100           HB       THR 100  12.389  -1.041  -4.256
  782    HG1  THR 100           HG1      THR 100  13.884  -1.400  -2.725
  783   1HG2  THR 100          1HG2      THR 100  10.666  -1.745  -2.503
  784   2HG2  THR 100          2HG2      THR 100  10.781  -3.345  -3.235
  785   3HG2  THR 100          3HG2      THR 100  10.262  -1.967  -4.205
  786    H    ASP 101           H        ASP 101  13.597  -1.220  -6.375
  787    HA   ASP 101           HA       ASP 101  16.482  -1.683  -6.033
  788   1HB   ASP 101          1HB       ASP 101  16.730  -0.954  -8.432
  789   2HB   ASP 101          2HB       ASP 101  15.919  -2.498  -8.202
  790    H    LYS 102           H        LYS 102  17.469   0.413  -7.496
  791    HA   LYS 102           HA       LYS 102  17.405   2.545  -5.676
  792   1HB   LYS 102          1HB       LYS 102  19.318   1.920  -7.114
  793   2HB   LYS 102          2HB       LYS 102  18.419   2.505  -8.498
  794   1HG   LYS 102          1HG       LYS 102  18.412   4.613  -6.688
  795   2HG   LYS 102          2HG       LYS 102  20.049   3.961  -6.642
  796   1HD   LYS 102          2HD       LYS 102  20.356   5.324  -8.419
  797   2HD   LYS 102          1HD       LYS 102  19.601   4.002  -9.312
  798   1HE   LYS 102          2HE       LYS 102  18.552   6.091  -9.926
  799   2HE   LYS 102          1HE       LYS 102  17.405   5.105  -9.021
  800   1HZ   LYS 102          1HZ       LYS 102  18.928   6.821  -7.318
  801   2HZ   LYS 102          2HZ       LYS 102  17.250   6.647  -7.450
  802   3HZ   LYS 102          3HZ       LYS 102  18.074   7.696  -8.490
  803    H    TRP 103           H        TRP 103  15.954   2.164  -8.880
  804    HA   TRP 103           HA       TRP 103  14.995   4.827  -9.035
  805   1HB   TRP 103          2HB       TRP 103  14.245   2.383 -10.639
  806   2HB   TRP 103          1HB       TRP 103  13.759   4.030 -11.031
  807    HD1  TRP 103           HD1      TRP 103  16.878   1.795 -10.891
  808    HE1  TRP 103           HE1      TRP 103  18.736   2.877 -12.297
  809    HE3  TRP 103           HE3      TRP 103  14.578   6.228 -12.015
  810    HZ2  TRP 103           HZ2      TRP 103  19.173   5.276 -13.703
  811    HZ3  TRP 103           HZ3      TRP 103  15.791   7.861 -13.401
  812    HH2  TRP 103           HH2      TRP 103  18.042   7.395 -14.227
  813    H    ASP 104           H        ASP 104  13.770   2.118  -7.362
  814    HA   ASP 104           HA       ASP 104  11.006   2.953  -7.463
  815   1HB   ASP 104          2HB       ASP 104  12.467   0.872  -5.839
  816   2HB   ASP 104          1HB       ASP 104  10.772   1.255  -5.558
  817    H    PHE 105           H        PHE 105   9.829   3.901  -5.778
  818    HA   PHE 105           HA       PHE 105   9.411   5.412  -4.139
  819   1HB   PHE 105          1HB       PHE 105  11.872   4.180  -2.863
  820   2HB   PHE 105          2HB       PHE 105  10.796   5.308  -2.052
  821    HD1  PHE 105           HD1      PHE 105   8.967   4.541  -0.869
  822    HD2  PHE 105           HD2      PHE 105  10.842   1.956  -3.683
  823    HE1  PHE 105           HE1      PHE 105   7.599   2.666  -0.058
  824    HE2  PHE 105           HE2      PHE 105   9.467   0.081  -2.880
  825    HZ   PHE 105           HZ       PHE 105   7.847   0.435  -1.064
  826    H    TYR 106           H        TYR 106  10.738   6.376  -6.377
  827    HA   TYR 106           HA       TYR 106  12.057   8.723  -5.266
  828   1HB   TYR 106          2HB       TYR 106  13.903   7.141  -5.693
  829   2HB   TYR 106          1HB       TYR 106  13.379   6.966  -7.357
  830    HD1  TYR 106           HD1      TYR 106  15.164   7.736  -8.614
  831    HD2  TYR 106           HD2      TYR 106  13.813  10.112  -5.340
  832    HE1  TYR 106           HE1      TYR 106  16.690   9.537  -9.291
  833    HE2  TYR 106           HE2      TYR 106  15.335  11.916  -6.021
  834    HH   TYR 106           HH       TYR 106  17.866  11.539  -8.006
  835    H    CYS 107           H        CYS 107  10.960  10.361  -6.078
  836    HA   CYS 107           HA       CYS 107   9.979  10.230  -8.855
  837   1HB   CYS 107          1HB       CYS 107   8.920  11.688  -6.436
  838   2HB   CYS 107          2HB       CYS 107   8.428  12.116  -8.070
  839    H    GLN 108           HN       GLN 108  10.365  11.919 -10.249
  840    HA   GLN 108           HA       GLN 108  12.131  14.068  -9.280
  841   1HB   GLN 108          2HB       GLN 108  12.376  12.521 -11.867
  842   2HB   GLN 108          1HB       GLN 108  13.280  13.982 -11.502
  843   1HG   GLN 108          2HG       GLN 108  14.309  12.846  -9.581
  844   2HG   GLN 108          1HG       GLN 108  13.437  11.373 -10.007
  845   1HE2  GLN 108          1HE2      GLN 108  16.322  12.887 -10.237
  846   2HE2  GLN 108          2HE2      GLN 108  16.961  12.106 -11.641
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1   7.648  15.836  -3.039
    2   2H    MET   1          2HT       MET   1   6.418  15.569  -4.168
    3   3H    MET   1          3HT       MET   1   7.292  17.016  -4.199
    4    HA   MET   1           HA       MET   1   8.138  14.315  -5.019
    5   1HB   MET   1          2HB       MET   1   8.397  17.065  -6.269
    6   2HB   MET   1          1HB       MET   1   8.926  15.562  -7.004
    7   1HG   MET   1          2HG       MET   1   6.917  15.928  -8.051
    8   2HG   MET   1          1HG       MET   1   6.450  14.849  -6.740
    9   1HE   MET   1          1HE       MET   1   6.377  19.301  -6.293
   10   2HE   MET   1          2HE       MET   1   5.641  18.943  -7.856
   11   3HE   MET   1          3HE       MET   1   7.269  18.365  -7.495
   12    H    GLY   2           H        GLY   2  10.003  13.598  -4.266
   13   1HA   GLY   2          2HA       GLY   2  12.460  14.795  -4.475
   14   2HA   GLY   2          1HA       GLY   2  11.879  15.276  -2.887
   15    HA   PRO   3           HA       PRO   3  13.655  10.933  -2.719
   16   1HB   PRO   3          2HB       PRO   3  16.205  11.605  -1.775
   17   2HB   PRO   3          1HB       PRO   3  15.790  11.088  -3.399
   18   1HG   PRO   3          1HG       PRO   3  16.696  13.630  -2.593
   19   2HG   PRO   3          2HG       PRO   3  16.165  13.142  -4.200
   20   1HD   PRO   3          1HD       PRO   3  14.740  14.666  -2.131
   21   2HD   PRO   3          2HD       PRO   3  14.478  14.609  -3.882
   22    H    MET   4           H        MET   4  12.391  10.468  -1.030
   23    HA   MET   4           HA       MET   4  13.246  11.355   1.642
   24   1HB   MET   4          2HB       MET   4  10.808  10.663   2.246
   25   2HB   MET   4          1HB       MET   4  11.083  12.191   1.426
   26   1HG   MET   4          1HG       MET   4   9.235  11.275   0.354
   27   2HG   MET   4          2HG       MET   4  10.579  10.944  -0.733
   28   1HE   MET   4          1HE       MET   4   8.239   9.801   1.898
   29   2HE   MET   4          2HE       MET   4   9.353   8.611   2.571
   30   3HE   MET   4          3HE       MET   4   7.977   8.082   1.601
   31    HA   PRO   5           HA       PRO   5  14.356   7.297   3.058
   32   1HB   PRO   5          1HB       PRO   5  12.511   6.857   5.132
   33   2HB   PRO   5          2HB       PRO   5  14.109   7.588   5.279
   34   1HG   PRO   5          1HG       PRO   5  11.446   8.895   5.042
   35   2HG   PRO   5          2HG       PRO   5  12.857   9.376   6.002
   36   1HD   PRO   5          1HD       PRO   5  12.264  10.653   3.762
   37   2HD   PRO   5          2HD       PRO   5  13.953  10.284   4.154
   38    H    LYS   6           H        LYS   6  13.863   5.146   2.872
   39    HA   LYS   6           HA       LYS   6  11.761   4.437   1.105
   40   1HB   LYS   6          1HB       LYS   6  13.314   2.427   2.719
   41   2HB   LYS   6          2HB       LYS   6  12.664   2.269   1.098
   42   1HG   LYS   6          1HG       LYS   6  14.928   4.133   1.723
   43   2HG   LYS   6          2HG       LYS   6  15.181   2.438   1.328
   44   1HD   LYS   6          2HD       LYS   6  15.363   3.239  -0.771
   45   2HD   LYS   6          1HD       LYS   6  13.600   3.165  -0.728
   46   1HE   LYS   6          1HE       LYS   6  13.485   5.496  -0.101
   47   2HE   LYS   6          2HE       LYS   6  15.243   5.594  -0.029
   48   1HZ   LYS   6          1HZ       LYS   6  13.883   6.326  -2.154
   49   2HZ   LYS   6          2HZ       LYS   6  14.059   4.688  -2.537
   50   3HZ   LYS   6          3HZ       LYS   6  15.428   5.645  -2.272
   51    H    LEU   7           H        LEU   7  10.335   2.482   1.603
   52    HA   LEU   7           HA       LEU   7   9.179   2.761   4.301
   53   1HB   LEU   7          2HB       LEU   7   7.807   3.696   2.410
   54   2HB   LEU   7          1HB       LEU   7   7.692   2.073   1.762
   55    HG   LEU   7           HG       LEU   7   6.581   1.405   3.944
   56   1HD1  LEU   7          1HD1      LEU   7   5.660   3.087   5.355
   57   2HD1  LEU   7          2HD1      LEU   7   6.211   4.374   4.283
   58   3HD1  LEU   7          3HD1      LEU   7   7.383   3.423   5.197
   59   1HD2  LEU   7          1HD2      LEU   7   5.561   2.712   1.641
   60   2HD2  LEU   7          2HD2      LEU   7   4.623   3.241   3.038
   61   3HD2  LEU   7          3HD2      LEU   7   4.770   1.521   2.675
   62    H    ALA   8           H        ALA   8  10.094   0.613   1.693
   63    HA   ALA   8           HA       ALA   8  10.140  -1.638   3.534
   64   1HB   ALA   8          1HB       ALA   8   8.161  -2.411   2.839
   65   2HB   ALA   8          2HB       ALA   8   9.006  -2.855   1.356
   66   3HB   ALA   8          3HB       ALA   8   8.126  -1.329   1.447
   67    H    ASP   9           H        ASP   9  11.053  -3.634   2.390
   68    HA   ASP   9           HA       ASP   9  13.229  -2.775   0.600
   69   1HB   ASP   9          2HB       ASP   9  13.098  -5.079   2.557
   70   2HB   ASP   9          1HB       ASP   9  14.428  -4.812   1.437
   71    H    ARG  10           H        ARG  10  10.860  -5.337   1.197
   72    HA   ARG  10           HA       ARG  10  11.002  -6.066  -1.648
   73   1HB   ARG  10          2HB       ARG  10  10.881  -8.039   0.636
   74   2HB   ARG  10          1HB       ARG  10  10.736  -8.450  -1.062
   75   1HG   ARG  10          2HG       ARG  10  13.016  -7.679  -1.450
   76   2HG   ARG  10          1HG       ARG  10  13.161  -7.244   0.255
   77   1HD   ARG  10          1HD       ARG  10  12.700  -9.617   0.831
   78   2HD   ARG  10          2HD       ARG  10  12.742  -9.999  -0.889
   79    HE   ARG  10           HE       ARG  10  15.113  -8.682  -0.250
   80   1HH1  ARG  10          1HH1      ARG  10  13.537 -11.724   0.497
   81   2HH1  ARG  10          2HH1      ARG  10  15.027 -12.566   0.750
   82   1HH2  ARG  10          1HH2      ARG  10  17.059  -9.804   0.086
   83   2HH2  ARG  10          2HH2      ARG  10  17.019 -11.481   0.518
   84    H    LYS  11           H        LYS  11   9.077  -7.252  -2.390
   85    HA   LYS  11           HA       LYS  11   6.664  -6.776  -0.795
   86   1HB   LYS  11          2HB       LYS  11   5.546  -5.904  -2.859
   87   2HB   LYS  11          1HB       LYS  11   6.810  -4.856  -2.229
   88   1HG   LYS  11          1HG       LYS  11   8.337  -6.072  -3.925
   89   2HG   LYS  11          2HG       LYS  11   6.820  -6.556  -4.688
   90   1HD   LYS  11          2HD       LYS  11   6.177  -4.261  -4.980
   91   2HD   LYS  11          1HD       LYS  11   7.586  -3.715  -4.067
   92   1HE   LYS  11          2HE       LYS  11   9.056  -4.664  -5.777
   93   2HE   LYS  11          1HE       LYS  11   7.645  -5.195  -6.694
   94   1HZ   LYS  11          1HZ       LYS  11   7.466  -3.198  -7.603
   95   2HZ   LYS  11          2HZ       LYS  11   8.926  -2.758  -6.871
   96   3HZ   LYS  11          3HZ       LYS  11   7.458  -2.432  -6.095
   97    H    LEU  12           H        LEU  12   4.715  -7.816  -1.894
   98    HA   LEU  12           HA       LEU  12   5.503 -10.387  -3.102
   99   1HB   LEU  12          2HB       LEU  12   3.237  -9.800  -1.191
  100   2HB   LEU  12          1HB       LEU  12   3.434 -11.320  -2.037
  101    HG   LEU  12           HG       LEU  12   5.458 -10.208  -0.090
  102   1HD1  LEU  12          1HD1      LEU  12   3.349 -12.317   0.350
  103   2HD1  LEU  12          2HD1      LEU  12   3.322 -10.686   1.018
  104   3HD1  LEU  12          3HD1      LEU  12   4.584 -11.817   1.506
  105   1HD2  LEU  12          1HD2      LEU  12   6.693 -11.724  -1.252
  106   2HD2  LEU  12          2HD2      LEU  12   5.282 -12.648  -1.766
  107   3HD2  LEU  12          3HD2      LEU  12   5.908 -12.834  -0.128
  108    H    CYS  13           H        CYS  13   4.967 -10.393  -5.172
  109    HA   CYS  13           HA       CYS  13   2.510  -9.022  -6.042
  110   1HB   CYS  13          2HB       CYS  13   4.914  -9.866  -7.677
  111   2HB   CYS  13          1HB       CYS  13   3.516  -8.986  -8.280
  112    H    ALA  14           H        ALA  14   1.726 -10.099  -8.230
  113    HA   ALA  14           HA       ALA  14   1.058 -12.854  -7.567
  114   1HB   ALA  14          1HB       ALA  14  -0.345 -12.469  -9.787
  115   2HB   ALA  14          2HB       ALA  14  -0.066 -10.777  -9.375
  116   3HB   ALA  14          3HB       ALA  14  -0.882 -11.840  -8.229
  117    H    ASP  15           H        ASP  15   3.109 -11.061  -9.658
  118    HA   ASP  15           HA       ASP  15   4.180 -13.517 -10.784
  119   1HB   ASP  15          1HB       ASP  15   4.167 -12.671 -13.082
  120   2HB   ASP  15          2HB       ASP  15   2.533 -12.816 -12.457
  121    H    GLN  16           H        GLN  16   6.166 -12.954 -12.169
  122    HA   GLN  16           HA       GLN  16   8.026 -11.620 -10.514
  123   1HB   GLN  16          2HB       GLN  16   8.521 -13.536 -12.041
  124   2HB   GLN  16          1HB       GLN  16   8.383 -12.433 -13.403
  125   1HG   GLN  16          2HG       GLN  16  10.260 -11.129 -12.540
  126   2HG   GLN  16          1HG       GLN  16  10.399 -12.235 -11.175
  127   1HE2  GLN  16          1HE2      GLN  16  11.949 -13.670 -11.390
  128   2HE2  GLN  16          2HE2      GLN  16  12.520 -14.348 -12.872
  129    H    GLU  17           H        GLU  17   6.095 -10.503 -13.193
  130    HA   GLU  17           HA       GLU  17   7.686  -8.093 -13.554
  131   1HB   GLU  17          2HB       GLU  17   5.264  -9.219 -14.924
  132   2HB   GLU  17          1HB       GLU  17   5.683  -7.533 -15.137
  133   1HG   GLU  17          1HG       GLU  17   6.605  -8.639 -16.975
  134   2HG   GLU  17          2HG       GLU  17   7.964  -8.336 -15.896
  135    H    CYS  18           H        CYS  18   5.157  -9.108 -11.533
  136    HA   CYS  18           HA       CYS  18   3.693  -8.065 -10.135
  137   1HB   CYS  18          1HB       CYS  18   5.645  -5.767 -10.457
  138   2HB   CYS  18          2HB       CYS  18   4.351  -5.810  -9.265
  139    H    SER  19           H        SER  19   3.291  -7.967 -13.001
  140    HA   SER  19           HA       SER  19   1.907  -5.449 -13.465
  141   1HB   SER  19          2HB       SER  19   3.453  -6.265 -15.180
  142   2HB   SER  19          1HB       SER  19   2.510  -7.736 -15.318
  143    HG   SER  19           HG       SER  19   1.484  -5.142 -15.807
  144    H    HIS  20           H        HIS  20   1.147  -8.294 -12.068
  145    HA   HIS  20           HA       HIS  20  -1.571  -8.428 -13.178
  146   1HB   HIS  20          2HB       HIS  20   0.226 -10.402 -11.871
  147   2HB   HIS  20          1HB       HIS  20  -1.497 -10.576 -11.589
  148    HD1  HIS  20           HD1      HIS  20  -0.769 -12.901 -12.859
  149    HD2  HIS  20           HD2      HIS  20  -1.098  -9.475 -15.182
  150    HE1  HIS  20           HE1      HIS  20  -1.125 -13.719 -15.194
  151    HE2  HIS  20           HE2      HIS  20  -1.180 -11.630 -16.615
  152    HA   PRO  21           HA       PRO  21  -3.058  -6.894  -9.242
  153   1HB   PRO  21          1HB       PRO  21  -5.734  -7.214  -9.708
  154   2HB   PRO  21          2HB       PRO  21  -4.767  -5.917 -10.417
  155   1HG   PRO  21          1HG       PRO  21  -5.983  -8.207 -11.718
  156   2HG   PRO  21          2HG       PRO  21  -5.211  -6.793 -12.450
  157   1HD   PRO  21          1HD       PRO  21  -4.126  -9.474 -12.017
  158   2HD   PRO  21          2HD       PRO  21  -3.494  -8.147 -13.018
  159    H    ILE  22           H        ILE  22  -2.734  -8.099  -7.462
  160    HA   ILE  22           HA       ILE  22  -3.345 -10.826  -7.200
  161    HB   ILE  22           HB       ILE  22  -2.956  -8.835  -4.954
  162   1HG1  ILE  22          2HG1      ILE  22  -0.876 -10.638  -6.210
  163   2HG1  ILE  22          1HG1      ILE  22  -1.108  -8.958  -6.696
  164   1HG2  ILE  22          1HG2      ILE  22  -3.764 -11.493  -4.827
  165   2HG2  ILE  22          2HG2      ILE  22  -3.085 -10.539  -3.509
  166   3HG2  ILE  22          3HG2      ILE  22  -2.032 -11.551  -4.496
  167   1HD1  ILE  22          1HD1      ILE  22  -0.095 -10.038  -4.099
  168   2HD1  ILE  22          2HD1      ILE  22  -0.743  -8.403  -4.222
  169   3HD1  ILE  22          3HD1      ILE  22   0.653  -8.875  -5.191
  170    H    SER  23           H        SER  23  -4.942  -8.053  -5.579
  171    HA   SER  23           HA       SER  23  -7.444  -9.573  -5.701
  172   1HB   SER  23          2HB       SER  23  -6.362  -9.848  -3.442
  173   2HB   SER  23          1HB       SER  23  -6.555  -8.109  -3.204
  174    HG   SER  23           HG       SER  23  -8.375 -10.083  -2.933
  175    H    MET  24           H        MET  24  -9.307  -8.177  -4.968
  176    HA   MET  24           HA       MET  24  -9.048  -5.448  -6.036
  177   1HB   MET  24          1HB       MET  24 -10.434  -7.333  -7.282
  178   2HB   MET  24          2HB       MET  24 -11.637  -6.964  -6.056
  179   1HG   MET  24          2HG       MET  24 -11.462  -4.557  -6.778
  180   2HG   MET  24          1HG       MET  24 -10.505  -5.134  -8.141
  181   1HE   MET  24          1HE       MET  24 -14.299  -6.952  -6.960
  182   2HE   MET  24          2HE       MET  24 -14.829  -5.290  -7.219
  183   3HE   MET  24          3HE       MET  24 -13.516  -5.631  -6.093
  184    H    ALA  25           H        ALA  25  -8.893  -4.294  -4.157
  185    HA   ALA  25           HA       ALA  25 -10.689  -4.981  -1.953
  186   1HB   ALA  25          1HB       ALA  25  -8.385  -4.789  -1.334
  187   2HB   ALA  25          2HB       ALA  25  -9.265  -3.432  -0.628
  188   3HB   ALA  25          3HB       ALA  25  -8.270  -3.188  -2.064
  189    H    VAL  26           H        VAL  26 -12.118  -3.595  -1.038
  190    HA   VAL  26           HA       VAL  26 -12.917  -1.295  -2.693
  191    HB   VAL  26           HB       VAL  26 -14.466  -2.611  -0.443
  192   1HG1  VAL  26          1HG2      VAL  26 -14.959  -0.183  -1.276
  193   2HG1  VAL  26          2HG2      VAL  26 -16.286  -1.315  -1.017
  194   3HG1  VAL  26          3HG2      VAL  26 -15.692  -1.012  -2.649
  195   1HG2  VAL  26          1HG1      VAL  26 -14.701  -3.048  -3.420
  196   2HG2  VAL  26          2HG1      VAL  26 -15.773  -3.721  -2.191
  197   3HG2  VAL  26          3HG1      VAL  26 -14.079  -4.208  -2.246
  198    H    ALA  27           H        ALA  27 -12.993   0.790  -1.906
  199    HA   ALA  27           HA       ALA  27 -11.474   1.333   0.499
  200   1HB   ALA  27          1HB       ALA  27 -11.256   2.629  -1.653
  201   2HB   ALA  27          2HB       ALA  27 -11.437   3.592  -0.187
  202   3HB   ALA  27          3HB       ALA  27 -12.814   3.362  -1.268
  203    H    LEU  28           H        LEU  28 -12.227   1.950   2.425
  204    HA   LEU  28           HA       LEU  28 -15.121   2.046   2.803
  205   1HB   LEU  28          2HB       LEU  28 -12.811   1.590   4.667
  206   2HB   LEU  28          1HB       LEU  28 -14.402   1.974   5.286
  207    HG   LEU  28           HG       LEU  28 -14.098  -0.387   5.432
  208   1HD1  LEU  28          1HD1      LEU  28 -16.097  -1.038   4.620
  209   2HD1  LEU  28          2HD1      LEU  28 -15.776  -0.404   3.006
  210   3HD1  LEU  28          3HD1      LEU  28 -16.266   0.689   4.300
  211   1HD2  LEU  28          1HD2      LEU  28 -12.542  -0.112   3.138
  212   2HD2  LEU  28          2HD2      LEU  28 -13.892  -1.148   2.674
  213   3HD2  LEU  28          3HD2      LEU  28 -12.873  -1.588   4.044
  214    H    GLN  29           H        GLN  29 -12.406   4.195   2.811
  215    HA   GLN  29           HA       GLN  29 -14.181   6.370   3.592
  216   1HB   GLN  29          2HB       GLN  29 -12.598   7.272   5.251
  217   2HB   GLN  29          1HB       GLN  29 -13.235   5.702   5.721
  218   1HG   GLN  29          2HG       GLN  29 -11.189   4.618   5.112
  219   2HG   GLN  29          1HG       GLN  29 -10.552   6.109   4.418
  220   1HE2  GLN  29          1HE2      GLN  29  -9.240   7.226   5.655
  221   2HE2  GLN  29          2HE2      GLN  29  -9.166   7.172   7.378
  222    H    ASP  30           H        ASP  30 -12.677   8.499   3.699
  223    HA   ASP  30           HA       ASP  30 -11.555   8.738   1.024
  224   1HB   ASP  30          2HB       ASP  30 -12.155  10.834   3.124
  225   2HB   ASP  30          1HB       ASP  30 -11.592  11.171   1.491
  226    H    TYR  31           H        TYR  31  -9.497   9.548   0.589
  227    HA   TYR  31           HA       TYR  31  -7.616   9.990   2.749
  228   1HB   TYR  31          2HB       TYR  31  -7.717   7.456   2.153
  229   2HB   TYR  31          1HB       TYR  31  -6.878   7.932   0.684
  230    HD1  TYR  31           HD1      TYR  31  -4.563   8.042   0.670
  231    HD2  TYR  31           HD2      TYR  31  -6.604   8.240   4.400
  232    HE1  TYR  31           HE1      TYR  31  -2.409   7.973   1.848
  233    HE2  TYR  31           HE2      TYR  31  -4.453   8.171   5.588
  234    HH   TYR  31           HH       TYR  31  -1.441   8.527   3.955
  235    H    MET  32           H        MET  32  -6.068  11.434   2.184
  236    HA   MET  32           HA       MET  32  -5.906  12.229  -0.636
  237   1HB   MET  32          2HB       MET  32  -6.789  13.992   0.781
  238   2HB   MET  32          1HB       MET  32  -5.455  13.805   1.905
  239   1HG   MET  32          1HG       MET  32  -5.166  15.769   0.552
  240   2HG   MET  32          2HG       MET  32  -3.912  14.584   0.234
  241   1HE   MET  32          1HE       MET  32  -7.658  14.743  -1.130
  242   2HE   MET  32          2HE       MET  32  -7.379  15.621  -2.634
  243   3HE   MET  32          3HE       MET  32  -7.080  16.408  -1.085
  244    H    ALA  33           H        ALA  33  -3.948  12.190  -1.638
  245    HA   ALA  33           HA       ALA  33  -1.796  10.786  -0.358
  246   1HB   ALA  33          1HB       ALA  33  -0.695  11.425  -2.672
  247   2HB   ALA  33          2HB       ALA  33  -2.372  11.762  -3.097
  248   3HB   ALA  33          3HB       ALA  33  -1.910  10.155  -2.538
  249    HA   PRO  34           HA       PRO  34   0.189  14.661   0.914
  250   1HB   PRO  34          2HB       PRO  34   2.107  13.068   2.377
  251   2HB   PRO  34          1HB       PRO  34   0.831  14.110   3.008
  252   1HG   PRO  34          2HG       PRO  34   0.810  11.396   3.246
  253   2HG   PRO  34          1HG       PRO  34  -0.663  12.386   3.196
  254   1HD   PRO  34          2HD       PRO  34   0.637  10.803   1.005
  255   2HD   PRO  34          1HD       PRO  34  -1.085  10.951   1.420
  256    H    ASP  35           H        ASP  35   2.385  11.861   0.433
  257    HA   ASP  35           HA       ASP  35   4.278  13.604  -0.925
  258   1HB   ASP  35          2HB       ASP  35   5.817  11.665  -0.807
  259   2HB   ASP  35          1HB       ASP  35   5.203  12.155   0.768
  260    H    CYS  36           H        CYS  36   5.469  12.641  -2.813
  261    HA   CYS  36           HA       CYS  36   3.735  12.404  -4.997
  262   1HB   CYS  36          1HB       CYS  36   5.967  13.371  -5.161
  263   2HB   CYS  36          2HB       CYS  36   6.692  11.808  -4.806
  264    H    ARG  37           H        ARG  37   5.125   9.856  -2.993
  265    HA   ARG  37           HA       ARG  37   4.435   7.906  -5.058
  266   1HB   ARG  37          2HB       ARG  37   5.635   6.241  -3.762
  267   2HB   ARG  37          1HB       ARG  37   6.638   7.647  -4.065
  268   1HG   ARG  37          2HG       ARG  37   6.372   8.396  -1.796
  269   2HG   ARG  37          1HG       ARG  37   5.217   7.101  -1.469
  270   1HD   ARG  37          2HD       ARG  37   6.999   5.451  -1.997
  271   2HD   ARG  37          1HD       ARG  37   8.135   6.783  -2.171
  272    HE   ARG  37           HE       ARG  37   8.375   6.779   0.087
  273   1HH1  ARG  37          1HH1      ARG  37   5.264   5.292  -0.596
  274   2HH1  ARG  37          2HH1      ARG  37   4.940   4.949   1.068
  275   1HH2  ARG  37          1HH2      ARG  37   7.920   6.313   2.257
  276   2HH2  ARG  37          2HH2      ARG  37   6.437   5.526   2.679
  277    H    PHE  38           H        PHE  38   2.497   9.387  -3.114
  278    HA   PHE  38           HA       PHE  38   1.150   6.942  -2.158
  279   1HB   PHE  38          2HB       PHE  38   1.472   9.596  -0.977
  280   2HB   PHE  38          1HB       PHE  38  -0.196   9.038  -0.966
  281    HD1  PHE  38           HD1      PHE  38   3.140   7.408  -0.353
  282    HD2  PHE  38           HD2      PHE  38  -0.811   8.164   1.041
  283    HE1  PHE  38           HE1      PHE  38   3.584   6.044   1.642
  284    HE2  PHE  38           HE2      PHE  38  -0.369   6.801   3.038
  285    HZ   PHE  38           HZ       PHE  38   1.831   5.739   3.341
  286    H    LEU  39           H        LEU  39  -1.246   6.964  -2.232
  287    HA   LEU  39           HA       LEU  39  -2.193   8.238  -4.723
  288   1HB   LEU  39          1HB       LEU  39  -2.845   5.599  -3.446
  289   2HB   LEU  39          2HB       LEU  39  -3.912   6.323  -4.631
  290    HG   LEU  39           HG       LEU  39  -1.015   5.797  -5.251
  291   1HD1  LEU  39          1HD1      LEU  39  -1.927   3.723  -6.398
  292   2HD1  LEU  39          2HD1      LEU  39  -3.359   3.922  -5.386
  293   3HD1  LEU  39          3HD1      LEU  39  -1.783   3.656  -4.642
  294   1HD2  LEU  39          1HD2      LEU  39  -2.351   7.313  -6.710
  295   2HD2  LEU  39          2HD2      LEU  39  -3.452   5.969  -7.018
  296   3HD2  LEU  39          3HD2      LEU  39  -1.768   5.866  -7.532
  297    H    THR  40           H        THR  40  -4.205   9.164  -4.836
  298    HA   THR  40           HA       THR  40  -5.469   9.831  -2.271
  299    HB   THR  40           HB       THR  40  -5.934  11.059  -5.010
  300    HG1  THR  40           HG1      THR  40  -4.439  12.498  -4.526
  301   1HG2  THR  40          1HG2      THR  40  -7.583  11.295  -2.880
  302   2HG2  THR  40          2HG2      THR  40  -7.360  12.537  -4.114
  303   3HG2  THR  40          3HG2      THR  40  -6.469  12.634  -2.592
  304    H    ILE  41           H        ILE  41  -7.052   8.486  -1.703
  305    HA   ILE  41           HA       ILE  41  -8.721   7.274  -3.814
  306    HB   ILE  41           HB       ILE  41  -8.190   6.206  -1.024
  307   1HG1  ILE  41          1HG1      ILE  41  -7.094   5.201  -3.667
  308   2HG1  ILE  41          2HG1      ILE  41  -6.190   6.235  -2.567
  309   1HG2  ILE  41          1HG2      ILE  41  -9.531   4.921  -3.413
  310   2HG2  ILE  41          2HG2      ILE  41 -10.342   5.489  -1.953
  311   3HG2  ILE  41          3HG2      ILE  41  -9.211   4.138  -1.865
  312   1HD1  ILE  41          1HD1      ILE  41  -6.449   4.453  -0.828
  313   2HD1  ILE  41          2HD1      ILE  41  -5.458   4.013  -2.221
  314   3HD1  ILE  41          3HD1      ILE  41  -7.114   3.418  -2.092
  315    H    HIS  42           H        HIS  42 -10.956   7.140  -3.536
  316    HA   HIS  42           HA       HIS  42 -12.088   8.924  -1.484
  317   1HB   HIS  42          2HB       HIS  42 -13.056   8.291  -4.278
  318   2HB   HIS  42          1HB       HIS  42 -14.059   9.099  -3.085
  319    HD1  HIS  42           HD1      HIS  42 -13.777  10.729  -5.433
  320    HD2  HIS  42           HD2      HIS  42 -10.777  10.737  -2.555
  321    HE1  HIS  42           HE1      HIS  42 -12.518  12.877  -5.776
  322    HE2  HIS  42           HE2      HIS  42 -10.773  12.905  -3.960
  323    H    ARG  43           H        ARG  43 -14.126   8.317  -0.575
  324    HA   ARG  43           HA       ARG  43 -14.255   5.626   0.234
  325   1HB   ARG  43          2HB       ARG  43 -15.054   7.573   1.560
  326   2HB   ARG  43          1HB       ARG  43 -16.399   7.750   0.444
  327   1HG   ARG  43          1HG       ARG  43 -17.201   5.517   1.081
  328   2HG   ARG  43          2HG       ARG  43 -15.868   5.384   2.230
  329   1HD   ARG  43          2HD       ARG  43 -17.889   6.056   3.381
  330   2HD   ARG  43          1HD       ARG  43 -16.710   7.365   3.413
  331    HE   ARG  43           HE       ARG  43 -18.379   7.744   1.202
  332   1HH1  ARG  43          1HH1      ARG  43 -18.593   7.822   4.702
  333   2HH1  ARG  43          2HH1      ARG  43 -19.883   8.978   4.711
  334   1HH2  ARG  43          1HH2      ARG  43 -20.068   9.259   1.235
  335   2HH2  ARG  43          2HH2      ARG  43 -20.718   9.790   2.749
  336    H    GLY  44           H        GLY  44 -14.953   3.921  -0.880
  337   1HA   GLY  44          2HA       GLY  44 -16.764   2.718  -1.870
  338   2HA   GLY  44          1HA       GLY  44 -17.356   4.223  -2.548
  339    H    GLN  45           H        GLN  45 -14.116   4.317  -3.143
  340    HA   GLN  45           HA       GLN  45 -14.530   3.574  -5.899
  341   1HB   GLN  45          1HB       GLN  45 -12.125   4.661  -4.440
  342   2HB   GLN  45          2HB       GLN  45 -12.097   4.234  -6.145
  343   1HG   GLN  45          2HG       GLN  45 -14.062   5.825  -6.415
  344   2HG   GLN  45          1HG       GLN  45 -13.666   6.401  -4.795
  345   1HE2  GLN  45          1HE2      GLN  45 -13.294   7.093  -7.923
  346   2HE2  GLN  45          2HE2      GLN  45 -11.791   7.942  -7.887
  347    H    VAL  46           H        VAL  46 -13.211   2.126  -7.095
  348    HA   VAL  46           HA       VAL  46 -12.585  -0.315  -5.603
  349    HB   VAL  46           HB       VAL  46 -12.557  -0.041  -8.605
  350   1HG1  VAL  46          1HG1      VAL  46 -12.952  -2.341  -6.706
  351   2HG1  VAL  46          2HG1      VAL  46 -11.630  -2.086  -7.846
  352   3HG1  VAL  46          3HG1      VAL  46 -13.250  -2.449  -8.441
  353   1HG2  VAL  46          1HG2      VAL  46 -15.007  -1.174  -7.940
  354   2HG2  VAL  46          2HG2      VAL  46 -14.730   0.429  -8.619
  355   3HG2  VAL  46          3HG2      VAL  46 -14.855   0.221  -6.871
  356    H    VAL  47           H        VAL  47 -10.544  -0.664  -5.020
  357    HA   VAL  47           HA       VAL  47  -8.385   0.470  -6.673
  358    HB   VAL  47           HB       VAL  47  -8.193  -0.218  -3.737
  359   1HG1  VAL  47          1HG1      VAL  47  -6.380   1.538  -5.380
  360   2HG1  VAL  47          2HG1      VAL  47  -6.093  -0.185  -5.130
  361   3HG1  VAL  47          3HG1      VAL  47  -6.111   0.915  -3.751
  362   1HG2  VAL  47          1HG2      VAL  47  -9.566   1.946  -4.875
  363   2HG2  VAL  47          2HG2      VAL  47  -8.039   2.598  -4.280
  364   3HG2  VAL  47          3HG2      VAL  47  -9.114   1.728  -3.184
  365    H    TYR  48           H        TYR  48  -7.106  -0.905  -7.683
  366    HA   TYR  48           HA       TYR  48  -7.248  -3.744  -7.052
  367   1HB   TYR  48          2HB       TYR  48  -6.106  -2.211  -9.386
  368   2HB   TYR  48          1HB       TYR  48  -5.772  -3.914  -9.154
  369    HD1  TYR  48           HD1      TYR  48  -9.054  -2.161  -8.630
  370    HD2  TYR  48           HD2      TYR  48  -6.788  -4.878 -11.000
  371    HE1  TYR  48           HE1      TYR  48 -11.074  -2.737  -9.898
  372    HE2  TYR  48           HE2      TYR  48  -8.809  -5.464 -12.264
  373    HH   TYR  48           HH       TYR  48 -11.100  -5.345 -12.236
  374    H    VAL  49           H        VAL  49  -5.784  -4.699  -5.811
  375    HA   VAL  49           HA       VAL  49  -3.329  -3.306  -5.099
  376    HB   VAL  49           HB       VAL  49  -4.309  -5.988  -4.091
  377   1HG1  VAL  49          1HG1      VAL  49  -2.204  -5.998  -3.287
  378   2HG1  VAL  49          2HG1      VAL  49  -2.878  -4.917  -2.070
  379   3HG1  VAL  49          3HG1      VAL  49  -2.016  -4.253  -3.457
  380   1HG2  VAL  49          1HG2      VAL  49  -5.506  -4.974  -2.401
  381   2HG2  VAL  49          2HG2      VAL  49  -5.815  -3.881  -3.748
  382   3HG2  VAL  49          3HG2      VAL  49  -4.612  -3.459  -2.530
  383    H    PHE  50           H        PHE  50  -1.449  -3.677  -6.095
  384    HA   PHE  50           HA       PHE  50  -1.201  -6.048  -7.797
  385   1HB   PHE  50          2HB       PHE  50   0.129  -3.356  -7.838
  386   2HB   PHE  50          1HB       PHE  50   0.852  -4.724  -8.676
  387    HD1  PHE  50           HD1      PHE  50  -2.411  -2.906  -8.424
  388    HD2  PHE  50           HD2      PHE  50   0.287  -5.122 -10.861
  389    HE1  PHE  50           HE1      PHE  50  -3.845  -2.498 -10.380
  390    HE2  PHE  50           HE2      PHE  50  -1.144  -4.716 -12.819
  391    HZ   PHE  50           HZ       PHE  50  -3.212  -3.402 -12.581
  392    H    SER  51           H        SER  51   0.178  -4.557  -4.965
  393    HA   SER  51           HA       SER  51   1.789  -6.930  -4.514
  394   1HB   SER  51          2HB       SER  51   3.867  -5.639  -4.096
  395   2HB   SER  51          1HB       SER  51   3.351  -5.551  -5.778
  396    HG   SER  51           HG       SER  51   3.986  -3.521  -4.605
  397    H    LYS  52           H        LYS  52   2.742  -7.020  -2.368
  398    HA   LYS  52           HA       LYS  52   1.448  -5.243  -0.400
  399   1HB   LYS  52          2HB       LYS  52   1.950  -8.178   0.111
  400   2HB   LYS  52          1HB       LYS  52   1.031  -7.063   1.093
  401   1HG   LYS  52          1HG       LYS  52  -0.692  -6.936  -0.613
  402   2HG   LYS  52          2HG       LYS  52   0.238  -8.021  -1.648
  403   1HD   LYS  52          1HD       LYS  52   0.061  -9.784   0.041
  404   2HD   LYS  52          2HD       LYS  52  -0.871  -8.700   1.074
  405   1HE   LYS  52          2HE       LYS  52  -2.609  -8.557  -0.643
  406   2HE   LYS  52          1HE       LYS  52  -1.675  -9.643  -1.676
  407   1HZ   LYS  52          1HZ       LYS  52  -3.127 -11.085  -0.681
  408   2HZ   LYS  52          2HZ       LYS  52  -3.159 -10.245   0.787
  409   3HZ   LYS  52          3HZ       LYS  52  -1.818 -11.194   0.385
  410    H    LEU  53           H        LEU  53   3.030  -4.083   0.520
  411    HA   LEU  53           HA       LEU  53   5.765  -4.833   0.385
  412   1HB   LEU  53          1HB       LEU  53   4.485  -2.694   2.085
  413   2HB   LEU  53          2HB       LEU  53   6.190  -2.819   1.689
  414    HG   LEU  53           HG       LEU  53   4.000  -2.360  -0.345
  415   1HD1  LEU  53          1HD2      LEU  53   5.968  -0.271   0.444
  416   2HD1  LEU  53          2HD2      LEU  53   4.549  -0.542   1.457
  417   3HD1  LEU  53          3HD2      LEU  53   4.351  -0.101  -0.238
  418   1HD2  LEU  53          1HD1      LEU  53   6.408  -1.454  -1.356
  419   2HD2  LEU  53          2HD1      LEU  53   5.579  -2.946  -1.804
  420   3HD2  LEU  53          3HD1      LEU  53   6.828  -2.970  -0.558
  421    H    LYS  54           H        LYS  54   7.254  -5.219   2.080
  422    HA   LYS  54           HA       LYS  54   6.127  -6.260   4.602
  423   1HB   LYS  54          2HB       LYS  54   8.299  -7.622   2.988
  424   2HB   LYS  54          1HB       LYS  54   7.664  -8.164   4.531
  425   1HG   LYS  54          2HG       LYS  54   5.450  -8.470   3.446
  426   2HG   LYS  54          1HG       LYS  54   6.221  -8.107   1.901
  427   1HD   LYS  54          2HD       LYS  54   7.071 -10.333   3.751
  428   2HD   LYS  54          1HD       LYS  54   6.000 -10.540   2.372
  429   1HE   LYS  54          2HE       LYS  54   8.865  -9.602   2.279
  430   2HE   LYS  54          1HE       LYS  54   8.275 -11.192   1.801
  431   1HZ   LYS  54          1HZ       LYS  54   7.947 -10.389  -0.218
  432   2HZ   LYS  54          2HZ       LYS  54   8.417  -8.838   0.267
  433   3HZ   LYS  54          3HZ       LYS  54   6.797  -9.307   0.389
  434    H    GLY  55           H        GLY  55   7.629  -6.290   6.382
  435   1HA   GLY  55          1HA       GLY  55   9.452  -5.589   7.621
  436   2HA   GLY  55          2HA       GLY  55  10.257  -5.160   6.120
  437    H    ARG  56           H        ARG  56   8.836  -4.012   8.901
  438    HA   ARG  56           HA       ARG  56   8.550  -1.984   9.828
  439   1HB   ARG  56          1HB       ARG  56   9.755  -0.960   7.260
  440   2HB   ARG  56          2HB       ARG  56   9.355   0.061   8.636
  441   1HG   ARG  56          2HG       ARG  56  10.945  -1.046  10.018
  442   2HG   ARG  56          1HG       ARG  56  11.221  -2.291   8.800
  443   1HD   ARG  56          2HD       ARG  56  13.061  -0.811   8.704
  444   2HD   ARG  56          1HD       ARG  56  12.067  -0.497   7.285
  445    HE   ARG  56           HE       ARG  56  12.449   1.268   9.584
  446   1HH1  ARG  56          1HH1      ARG  56  10.941   0.745   6.458
  447   2HH1  ARG  56          2HH1      ARG  56  10.468   2.400   6.283
  448   1HH2  ARG  56          1HH2      ARG  56  11.822   3.432   9.331
  449   2HH2  ARG  56          2HH2      ARG  56  10.966   3.921   7.907
  450    H    GLY  57           H        GLY  57   7.743  -1.471   6.398
  451   1HA   GLY  57          1HA       GLY  57   5.135  -0.404   7.241
  452   2HA   GLY  57          2HA       GLY  57   5.918  -0.078   5.699
  453    H    ARG  58           H        ARG  58   5.382  -3.143   7.395
  454    HA   ARG  58           HA       ARG  58   4.561  -4.484   5.036
  455   1HB   ARG  58          1HB       ARG  58   4.066  -6.380   6.543
  456   2HB   ARG  58          2HB       ARG  58   5.675  -5.724   6.759
  457   1HG   ARG  58          2HG       ARG  58   4.884  -4.525   8.734
  458   2HG   ARG  58          1HG       ARG  58   3.292  -5.248   8.528
  459   1HD   ARG  58          2HD       ARG  58   4.275  -7.470   8.764
  460   2HD   ARG  58          1HD       ARG  58   5.871  -6.750   8.956
  461    HE   ARG  58           HE       ARG  58   3.872  -7.049  10.965
  462   1HH1  ARG  58          1HH1      ARG  58   6.528  -4.969   9.987
  463   2HH1  ARG  58          2HH1      ARG  58   6.773  -4.346  11.582
  464   1HH2  ARG  58          1HH2      ARG  58   4.216  -6.218  13.045
  465   2HH2  ARG  58          2HH2      ARG  58   5.468  -5.051  13.312
  466    H    LEU  59           H        LEU  59   2.873  -2.433   7.086
  467    HA   LEU  59           HA       LEU  59   0.278  -3.676   6.635
  468   1HB   LEU  59          2HB       LEU  59   1.038  -1.147   8.107
  469   2HB   LEU  59          1HB       LEU  59  -0.584  -1.803   8.014
  470    HG   LEU  59           HG       LEU  59   1.729  -3.297   9.250
  471   1HD1  LEU  59          1HD2      LEU  59  -0.006  -1.175  10.340
  472   2HD1  LEU  59          2HD2      LEU  59   1.626  -1.659  10.799
  473   3HD1  LEU  59          3HD2      LEU  59   0.239  -2.592  11.360
  474   1HD2  LEU  59          1HD1      LEU  59  -0.089  -4.733   8.569
  475   2HD2  LEU  59          2HD1      LEU  59  -1.258  -3.688   9.375
  476   3HD2  LEU  59          3HD1      LEU  59  -0.079  -4.590  10.326
  477    H    PHE  60           H        PHE  60   2.193  -2.150   4.640
  478    HA   PHE  60           HA       PHE  60   0.095  -0.421   3.506
  479   1HB   PHE  60          2HB       PHE  60   3.101  -0.185   3.307
  480   2HB   PHE  60          1HB       PHE  60   1.993   0.737   2.300
  481    HD1  PHE  60           HD1      PHE  60   1.040   2.724   3.072
  482    HD2  PHE  60           HD2      PHE  60   2.996   0.136   5.830
  483    HE1  PHE  60           HE1      PHE  60   0.909   4.469   4.801
  484    HE2  PHE  60           HE2      PHE  60   2.861   1.875   7.563
  485    HZ   PHE  60           HZ       PHE  60   1.816   4.044   7.050
  486    H    TRP  61           H        TRP  61  -0.702  -0.902   1.595
  487    HA   TRP  61           HA       TRP  61   0.593  -3.009  -0.003
  488   1HB   TRP  61          1HB       TRP  61  -2.300  -2.269   0.380
  489   2HB   TRP  61          2HB       TRP  61  -1.781  -3.233  -0.990
  490    HD1  TRP  61           HD1      TRP  61   0.323  -4.438   1.727
  491    HE1  TRP  61           HE1      TRP  61  -0.666  -6.535   2.826
  492    HE3  TRP  61           HE3      TRP  61  -4.448  -4.177  -0.129
  493    HZ2  TRP  61           HZ2      TRP  61  -3.130  -7.895   2.920
  494    HZ3  TRP  61           HZ3      TRP  61  -6.056  -5.922   0.524
  495    HH2  TRP  61           HH2      TRP  61  -5.409  -7.740   2.017
  496    H    GLY  62           H        GLY  62   1.007  -2.678  -2.120
  497   1HA   GLY  62          2HA       GLY  62   0.606   0.064  -3.130
  498   2HA   GLY  62          1HA       GLY  62   1.847  -1.089  -3.704
  499    H    GLY  63           H        GLY  63   0.108   0.356  -5.398
  500   1HA   GLY  63          2HA       GLY  63  -0.645  -1.410  -7.300
  501   2HA   GLY  63          1HA       GLY  63  -2.042  -1.383  -6.235
  502    H    SER  64           H        SER  64  -3.261  -0.560  -8.020
  503    HA   SER  64           HA       SER  64  -2.919   2.341  -8.380
  504   1HB   SER  64          1HB       SER  64  -3.649   2.132 -10.717
  505   2HB   SER  64          2HB       SER  64  -2.183   1.192 -10.434
  506    HG   SER  64           HG       SER  64  -3.460  -0.203 -11.478
  507    H    VAL  65           H        VAL  65  -4.907   3.490  -8.897
  508    HA   VAL  65           HA       VAL  65  -7.270   2.150  -7.746
  509    HB   VAL  65           HB       VAL  65  -6.748   5.129  -7.921
  510   1HG1  VAL  65          1HG2      VAL  65  -9.132   3.775  -7.537
  511   2HG1  VAL  65          2HG2      VAL  65  -8.809   5.461  -7.132
  512   3HG1  VAL  65          3HG2      VAL  65  -8.623   4.208  -5.905
  513   1HG2  VAL  65          1HG1      VAL  65  -6.500   3.336  -5.511
  514   2HG2  VAL  65          2HG1      VAL  65  -6.232   5.077  -5.563
  515   3HG2  VAL  65          3HG1      VAL  65  -5.144   3.992  -6.428
  516    H    GLN  66           H        GLN  66  -8.897   1.695  -9.097
  517    HA   GLN  66           HA       GLN  66  -8.901   2.774 -11.779
  518   1HB   GLN  66          1HB       GLN  66  -9.462   0.434 -11.510
  519   2HB   GLN  66          2HB       GLN  66 -10.777   0.832 -10.414
  520   1HG   GLN  66          2HG       GLN  66 -12.028   1.853 -12.178
  521   2HG   GLN  66          1HG       GLN  66 -10.671   1.718 -13.289
  522   1HE2  GLN  66          1HE2      GLN  66 -10.425  -1.119 -11.830
  523   2HE2  GLN  66          2HE2      GLN  66 -11.507  -2.073 -12.776
  524    H    GLY  67           H        GLY  67 -10.148   4.341 -12.573
  525   1HA   GLY  67          2HA       GLY  67 -12.642   5.176 -12.012
  526   2HA   GLY  67          1HA       GLY  67 -11.713   5.935 -10.728
  527    H    ASP  68           H        ASP  68  -9.355   6.434 -12.222
  528    HA   ASP  68           HA       ASP  68 -10.309   8.451 -14.152
  529   1HB   ASP  68          2HB       ASP  68  -8.058   8.658 -12.141
  530   2HB   ASP  68          1HB       ASP  68  -8.299   9.808 -13.448
  531    H    TYR  69           H        TYR  69  -9.881   7.521 -16.076
  532    HA   TYR  69           HA       TYR  69  -7.131   6.572 -16.548
  533   1HB   TYR  69          2HB       TYR  69  -9.754   5.484 -17.517
  534   2HB   TYR  69          1HB       TYR  69  -8.305   5.250 -18.483
  535    HD1  TYR  69           HD1      TYR  69  -7.054   3.352 -18.139
  536    HD2  TYR  69           HD2      TYR  69  -9.509   4.760 -14.960
  537    HE1  TYR  69           HE1      TYR  69  -6.477   1.362 -16.817
  538    HE2  TYR  69           HE2      TYR  69  -8.931   2.776 -13.630
  539    HH   TYR  69           HH       TYR  69  -6.465   0.538 -14.637
  540    H    TYR  70           H        TYR  70  -6.713   8.868 -17.030
  541    HA   TYR  70           HA       TYR  70  -7.042   9.328 -19.872
  542   1HB   TYR  70          1HB       TYR  70  -7.736  11.719 -19.520
  543   2HB   TYR  70          2HB       TYR  70  -8.958  10.523 -19.119
  544    HD1  TYR  70           HD1      TYR  70  -6.459  12.828 -17.597
  545    HD2  TYR  70           HD2      TYR  70  -9.958  10.478 -17.003
  546    HE1  TYR  70           HE1      TYR  70  -6.781  13.872 -15.395
  547    HE2  TYR  70           HE2      TYR  70 -10.285  11.515 -14.799
  548    HH   TYR  70           HH       TYR  70  -8.210  12.872 -13.076
  549    H    GLY  71           H        GLY  71  -4.950   8.904 -17.599
  550   1HA   GLY  71          1HA       GLY  71  -2.628   9.430 -18.406
  551   2HA   GLY  71          2HA       GLY  71  -3.159  11.102 -18.435
  552    H    ASP  72           H        ASP  72  -4.221   9.030 -15.846
  553    HA   ASP  72           HA       ASP  72  -2.073   9.776 -14.068
  554   1HB   ASP  72          2HB       ASP  72  -3.532  10.941 -12.434
  555   2HB   ASP  72          1HB       ASP  72  -3.362  11.818 -13.948
  556    H    LEU  73           H        LEU  73  -2.655   9.094 -11.736
  557    HA   LEU  73           HA       LEU  73  -3.027   7.443 -10.257
  558   1HB   LEU  73          2HB       LEU  73  -5.507   7.242 -11.912
  559   2HB   LEU  73          1HB       LEU  73  -5.195   6.045 -10.670
  560    HG   LEU  73           HG       LEU  73  -4.950   8.025  -9.057
  561   1HD1  LEU  73          1HD1      LEU  73  -5.181  10.099  -9.798
  562   2HD1  LEU  73          2HD1      LEU  73  -6.770   9.715 -10.461
  563   3HD1  LEU  73          3HD1      LEU  73  -5.324   9.480 -11.443
  564   1HD2  LEU  73          1HD2      LEU  73  -7.651   8.304  -9.388
  565   2HD2  LEU  73          2HD2      LEU  73  -6.848   7.015  -8.493
  566   3HD2  LEU  73          3HD2      LEU  73  -7.320   6.759 -10.172
  567    H    ALA  74           H        ALA  74  -4.445   5.528 -12.897
  568    HA   ALA  74           HA       ALA  74  -2.509   3.438 -12.361
  569   1HB   ALA  74          1HB       ALA  74  -4.733   3.386 -14.394
  570   2HB   ALA  74          2HB       ALA  74  -4.961   2.998 -12.690
  571   3HB   ALA  74          3HB       ALA  74  -3.883   2.014 -13.680
  572    H    ALA  75           H        ALA  75  -0.667   4.671 -13.124
  573    HA   ALA  75           HA       ALA  75  -0.122   4.137 -15.921
  574   1HB   ALA  75          1HB       ALA  75  -1.112   6.562 -15.509
  575   2HB   ALA  75          2HB       ALA  75   0.174   6.266 -16.679
  576   3HB   ALA  75          3HB       ALA  75   0.564   6.901 -15.080
  577    H    ARG  76           H        ARG  76   1.010   5.448 -12.836
  578    HA   ARG  76           HA       ARG  76   3.622   4.221 -13.362
  579   1HB   ARG  76          2HB       ARG  76   4.581   6.181 -11.964
  580   2HB   ARG  76          1HB       ARG  76   4.192   6.449 -13.655
  581   1HG   ARG  76          2HG       ARG  76   3.353   8.342 -12.650
  582   2HG   ARG  76          1HG       ARG  76   1.925   7.318 -12.752
  583   1HD   ARG  76          2HD       ARG  76   2.028   8.379 -10.582
  584   2HD   ARG  76          1HD       ARG  76   2.273   6.642 -10.409
  585    HE   ARG  76           HE       ARG  76   4.781   7.844 -10.628
  586   1HH1  ARG  76          1HH1      ARG  76   2.100   7.791  -8.367
  587   2HH1  ARG  76          2HH1      ARG  76   3.105   8.083  -6.991
  588   1HH2  ARG  76          1HH2      ARG  76   6.083   8.228  -8.809
  589   2HH2  ARG  76          2HH2      ARG  76   5.360   8.332  -7.240
  590    H    LEU  77           H        LEU  77   1.027   3.843 -11.625
  591    HA   LEU  77           HA       LEU  77   0.447   2.816  -9.699
  592   1HB   LEU  77          2HB       LEU  77   3.353   2.040  -9.778
  593   2HB   LEU  77          1HB       LEU  77   2.266   1.474  -8.526
  594    HG   LEU  77           HG       LEU  77   1.714   1.009 -11.455
  595   1HD1  LEU  77          1HD1      LEU  77   3.887  -0.029 -10.078
  596   2HD1  LEU  77          2HD1      LEU  77   3.173  -0.668 -11.558
  597   3HD1  LEU  77          3HD1      LEU  77   2.666  -1.299  -9.991
  598   1HD2  LEU  77          1HD2      LEU  77  -0.199   0.736 -10.015
  599   2HD2  LEU  77          2HD2      LEU  77   0.731  -0.279  -8.911
  600   3HD2  LEU  77          3HD2      LEU  77   0.360  -0.853 -10.539
  601    H    GLY  78           H        GLY  78   0.847   2.647  -7.295
  602   1HA   GLY  78          2HA       GLY  78   2.419   4.710  -6.042
  603   2HA   GLY  78          1HA       GLY  78   0.695   5.062  -6.046
  604    H    TYR  79           H        TYR  79   1.400   4.953  -3.609
  605    HA   TYR  79           HA       TYR  79   0.884   2.197  -2.696
  606   1HB   TYR  79          2HB       TYR  79   2.592   4.243  -1.259
  607   2HB   TYR  79          1HB       TYR  79   2.270   2.595  -0.725
  608    HD1  TYR  79           HD1      TYR  79   4.716   4.564  -2.049
  609    HD2  TYR  79           HD2      TYR  79   2.836   0.825  -2.815
  610    HE1  TYR  79           HE1      TYR  79   6.713   3.819  -3.266
  611    HE2  TYR  79           HE2      TYR  79   4.824   0.067  -4.044
  612    HH   TYR  79           HH       TYR  79   7.707   1.268  -3.790
  613    H    PHE  80           H        PHE  80  -0.290   1.952  -0.737
  614    HA   PHE  80           HA       PHE  80  -1.645   4.232   0.422
  615   1HB   PHE  80          2HB       PHE  80  -3.931   3.267  -0.038
  616   2HB   PHE  80          1HB       PHE  80  -3.106   3.892  -1.465
  617    HD1  PHE  80           HD1      PHE  80  -4.251   0.844   0.262
  618    HD2  PHE  80           HD2      PHE  80  -2.445   2.432  -3.253
  619    HE1  PHE  80           HE1      PHE  80  -4.594  -1.305  -0.884
  620    HE2  PHE  80           HE2      PHE  80  -2.789   0.284  -4.400
  621    HZ   PHE  80           HZ       PHE  80  -3.864  -1.587  -3.216
  622    HA   PRO  81           HA       PRO  81  -1.529   1.467   3.931
  623   1HB   PRO  81          2HB       PRO  81  -3.807   2.791   5.172
  624   2HB   PRO  81          1HB       PRO  81  -2.105   2.848   5.636
  625   1HG   PRO  81          2HG       PRO  81  -3.419   4.986   4.610
  626   2HG   PRO  81          1HG       PRO  81  -1.684   4.711   4.363
  627   1HD   PRO  81          2HD       PRO  81  -3.972   4.161   2.506
  628   2HD   PRO  81          1HD       PRO  81  -2.382   4.869   2.153
  629    H    SER  82           H        SER  82  -2.345  -0.524   4.261
  630    HA   SER  82           HA       SER  82  -4.613  -1.464   2.868
  631   1HB   SER  82          2HB       SER  82  -4.213  -3.585   3.985
  632   2HB   SER  82          1HB       SER  82  -2.667  -2.875   3.526
  633    HG   SER  82           HG       SER  82  -3.299  -3.703   5.879
  634    H    SER  83           H        SER  83  -4.306   0.090   5.895
  635    HA   SER  83           HA       SER  83  -6.500  -0.994   7.287
  636   1HB   SER  83          2HB       SER  83  -6.321   1.023   8.705
  637   2HB   SER  83          1HB       SER  83  -4.755   0.263   8.423
  638    HG   SER  83           HG       SER  83  -4.185   1.888   7.098
  639    H    ILE  84           H        ILE  84  -6.395   1.343   4.687
  640    HA   ILE  84           HA       ILE  84  -9.113   2.227   5.316
  641    HB   ILE  84           HB       ILE  84  -8.902   3.858   3.530
  642   1HG1  ILE  84          1HG1      ILE  84  -6.019   3.027   3.227
  643   2HG1  ILE  84          2HG1      ILE  84  -7.289   2.420   2.160
  644   1HG2  ILE  84          1HG2      ILE  84  -7.671   5.340   4.766
  645   2HG2  ILE  84          2HG2      ILE  84  -6.406   4.165   5.124
  646   3HG2  ILE  84          3HG2      ILE  84  -7.956   4.075   5.960
  647   1HD1  ILE  84          1HD1      ILE  84  -5.889   4.920   2.100
  648   2HD1  ILE  84          2HD1      ILE  84  -7.631   5.172   2.212
  649   3HD1  ILE  84          3HD1      ILE  84  -6.963   4.198   0.902
  650    H    VAL  85           H        VAL  85  -7.803  -0.312   3.663
  651    HA   VAL  85           HA       VAL  85 -10.143  -0.414   1.869
  652    HB   VAL  85           HB       VAL  85  -8.793  -1.751   0.260
  653   1HG1  VAL  85          1HG1      VAL  85  -7.311   0.265  -0.444
  654   2HG1  VAL  85          2HG1      VAL  85  -8.122   1.092   0.886
  655   3HG1  VAL  85          3HG1      VAL  85  -9.068   0.429  -0.447
  656   1HG2  VAL  85          1HG2      VAL  85  -6.665  -2.359   0.598
  657   2HG2  VAL  85          2HG2      VAL  85  -6.963  -1.969   2.292
  658   3HG2  VAL  85          3HG2      VAL  85  -6.217  -0.774   1.231
  659    H    ARG  86           H        ARG  86 -10.731  -2.650   1.187
  660    HA   ARG  86           HA       ARG  86 -10.089  -4.659   3.229
  661   1HB   ARG  86          2HB       ARG  86 -12.224  -3.463   3.784
  662   2HB   ARG  86          1HB       ARG  86 -12.899  -4.087   2.285
  663   1HG   ARG  86          2HG       ARG  86 -12.638  -6.363   3.073
  664   2HG   ARG  86          1HG       ARG  86 -11.875  -5.781   4.554
  665   1HD   ARG  86          2HD       ARG  86 -13.932  -4.598   5.145
  666   2HD   ARG  86          1HD       ARG  86 -14.695  -5.179   3.668
  667    HE   ARG  86           HE       ARG  86 -14.398  -6.603   6.115
  668   1HH1  ARG  86          1HH1      ARG  86 -14.572  -7.074   2.638
  669   2HH1  ARG  86          2HH1      ARG  86 -15.093  -8.718   2.775
  670   1HH2  ARG  86          1HH2      ARG  86 -15.084  -8.758   6.266
  671   2HH2  ARG  86          2HH2      ARG  86 -15.383  -9.671   4.824
  672    H    GLU  87           H        GLU  87  -9.230  -6.308   2.193
  673    HA   GLU  87           HA       GLU  87  -9.641  -6.875  -0.556
  674   1HB   GLU  87          2HB       GLU  87  -7.504  -7.267   0.443
  675   2HB   GLU  87          1HB       GLU  87  -8.205  -8.243   1.724
  676   1HG   GLU  87          2HG       GLU  87  -8.446  -9.135  -1.090
  677   2HG   GLU  87          1HG       GLU  87  -6.915  -9.309  -0.247
  678    H    ASP  88           H        ASP  88 -10.936  -8.416  -1.499
  679    HA   ASP  88           HA       ASP  88 -12.342 -10.336   0.180
  680   1HB   ASP  88          2HB       ASP  88 -13.777  -8.327   0.189
  681   2HB   ASP  88          1HB       ASP  88 -13.832  -8.367  -1.570
  682    H    GLN  89           H        GLN  89 -11.828  -9.076  -3.120
  683    HA   GLN  89           HA       GLN  89 -12.259 -11.831  -4.108
  684   1HB   GLN  89          2HB       GLN  89 -13.957 -10.436  -4.977
  685   2HB   GLN  89          1HB       GLN  89 -12.811  -9.184  -5.412
  686   1HG   GLN  89          1HG       GLN  89 -13.733 -10.472  -7.326
  687   2HG   GLN  89          2HG       GLN  89 -11.978 -10.457  -7.223
  688   1HE2  GLN  89          1HE2      GLN  89 -11.132 -12.265  -7.793
  689   2HE2  GLN  89          2HE2      GLN  89 -11.735 -13.849  -7.472
  690    H    THR  90           H        THR  90 -10.406 -12.815  -4.396
  691    HA   THR  90           HA       THR  90  -8.000 -11.428  -5.226
  692    HB   THR  90           HB       THR  90  -8.477 -14.391  -4.824
  693    HG1  THR  90           HG1      THR  90  -7.835 -14.100  -2.770
  694   1HG2  THR  90          1HG2      THR  90  -6.322 -14.810  -5.180
  695   2HG2  THR  90          2HG2      THR  90  -5.810 -13.384  -4.277
  696   3HG2  THR  90          3HG2      THR  90  -6.272 -13.234  -5.973
  697    H    LEU  91           H        LEU  91  -7.704 -10.926  -7.287
  698    HA   LEU  91           HA       LEU  91  -9.097 -12.315  -9.413
  699   1HB   LEU  91          1HB       LEU  91  -7.069 -10.113  -9.724
  700   2HB   LEU  91          2HB       LEU  91  -8.360 -10.553 -10.825
  701    HG   LEU  91           HG       LEU  91  -8.876  -9.405  -8.084
  702   1HD1  LEU  91          1HD2      LEU  91  -9.019  -7.246  -9.000
  703   2HD1  LEU  91          2HD2      LEU  91  -8.901  -7.852 -10.652
  704   3HD1  LEU  91          3HD2      LEU  91  -7.496  -7.913  -9.588
  705   1HD2  LEU  91          1HD1      LEU  91 -11.017  -8.711  -9.330
  706   2HD2  LEU  91          2HD1      LEU  91 -10.843 -10.392  -8.816
  707   3HD2  LEU  91          3HD1      LEU  91 -10.556  -9.950 -10.500
  708    H    LYS  92           H        LYS  92  -6.109 -12.582  -7.874
  709    HA   LYS  92           HA       LYS  92  -5.182 -14.677  -9.538
  710   1HB   LYS  92          2HB       LYS  92  -4.577 -12.813 -11.039
  711   2HB   LYS  92          1HB       LYS  92  -3.623 -12.085  -9.759
  712   1HG   LYS  92          2HG       LYS  92  -1.874 -13.190 -10.555
  713   2HG   LYS  92          1HG       LYS  92  -2.630 -14.674  -9.986
  714   1HD   LYS  92          1HD       LYS  92  -3.130 -13.481 -12.706
  715   2HD   LYS  92          2HD       LYS  92  -1.898 -14.695 -12.392
  716   1HE   LYS  92          2HE       LYS  92  -3.661 -15.980 -13.149
  717   2HE   LYS  92          1HE       LYS  92  -3.855 -16.074 -11.401
  718   1HZ   LYS  92          1HZ       LYS  92  -5.258 -13.861 -12.564
  719   2HZ   LYS  92          2HZ       LYS  92  -5.815 -15.057 -11.504
  720   3HZ   LYS  92          3HZ       LYS  92  -5.779 -15.353 -13.169
  721    HA   PRO  93           HA       PRO  93  -3.389 -15.603  -5.524
  722   1HB   PRO  93          2HB       PRO  93  -1.358 -17.208  -6.818
  723   2HB   PRO  93          1HB       PRO  93  -2.674 -17.724  -5.777
  724   1HG   PRO  93          2HG       PRO  93  -2.473 -18.050  -8.565
  725   2HG   PRO  93          1HG       PRO  93  -3.870 -18.406  -7.540
  726   1HD   PRO  93          1HD       PRO  93  -3.574 -16.318  -9.470
  727   2HD   PRO  93          2HD       PRO  93  -4.971 -16.687  -8.448
  728    H    GLY  94           H        GLY  94  -1.972 -14.472  -4.367
  729   1HA   GLY  94          1HA       GLY  94   0.367 -13.293  -5.738
  730   2HA   GLY  94          2HA       GLY  94  -0.426 -12.596  -4.330
  731    H    LYS  95           H        LYS  95   1.834 -14.936  -5.484
  732    HA   LYS  95           HA       LYS  95   2.842 -15.309  -2.774
  733   1HB   LYS  95          1HB       LYS  95   3.162 -17.827  -3.532
  734   2HB   LYS  95          2HB       LYS  95   1.686 -17.272  -2.755
  735   1HG   LYS  95          2HG       LYS  95   0.641 -17.004  -4.954
  736   2HG   LYS  95          1HG       LYS  95   2.114 -17.594  -5.718
  737   1HD   LYS  95          2HD       LYS  95   0.471 -19.370  -5.596
  738   2HD   LYS  95          1HD       LYS  95   1.838 -19.745  -4.544
  739   1HE   LYS  95          2HE       LYS  95  -0.253 -20.306  -3.444
  740   2HE   LYS  95          1HE       LYS  95   0.528 -18.966  -2.606
  741   1HZ   LYS  95          1HZ       LYS  95  -1.843 -18.592  -2.863
  742   2HZ   LYS  95          2HZ       LYS  95  -1.711 -18.723  -4.544
  743   3HZ   LYS  95          3HZ       LYS  95  -0.965 -17.437  -3.735
  744    H    VAL  96           H        VAL  96   3.847 -13.781  -5.003
  745    HA   VAL  96           HA       VAL  96   6.365 -15.228  -5.550
  746    HB   VAL  96           HB       VAL  96   5.170 -12.997  -7.218
  747   1HG1  VAL  96          1HG1      VAL  96   7.565 -14.779  -7.658
  748   2HG1  VAL  96          2HG1      VAL  96   7.563 -13.031  -7.420
  749   3HG1  VAL  96          3HG1      VAL  96   6.871 -13.720  -8.888
  750   1HG2  VAL  96          1HG2      VAL  96   3.999 -14.480  -8.399
  751   2HG2  VAL  96          2HG2      VAL  96   4.323 -15.642  -7.114
  752   3HG2  VAL  96          3HG2      VAL  96   5.378 -15.571  -8.526
  753    H    ASP  97           H        ASP  97   8.226 -14.312  -4.834
  754    HA   ASP  97           HA       ASP  97   8.009 -11.756  -3.411
  755   1HB   ASP  97          2HB       ASP  97   8.864 -13.688  -2.150
  756   2HB   ASP  97          1HB       ASP  97  10.179 -13.865  -3.306
  757    H    VAL  98           H        VAL  98   8.662  -9.978  -4.365
  758    HA   VAL  98           HA       VAL  98  10.953 -10.071  -6.222
  759    HB   VAL  98           HB       VAL  98   8.549  -8.245  -6.530
  760   1HG1  VAL  98          1HG1      VAL  98  11.192  -8.288  -7.718
  761   2HG1  VAL  98          2HG1      VAL  98   9.940  -7.047  -7.792
  762   3HG1  VAL  98          3HG1      VAL  98   9.921  -8.390  -8.937
  763   1HG2  VAL  98          1HG2      VAL  98   8.780 -10.968  -7.248
  764   2HG2  VAL  98          2HG2      VAL  98   8.868 -10.024  -8.735
  765   3HG2  VAL  98          3HG2      VAL  98   7.488  -9.837  -7.652
  766    H    LYS  99           H        LYS  99  12.568  -8.712  -5.700
  767    HA   LYS  99           HA       LYS  99  12.351  -7.029  -3.370
  768   1HB   LYS  99          1HB       LYS  99  14.642  -7.320  -5.329
  769   2HB   LYS  99          2HB       LYS  99  14.723  -6.569  -3.743
  770   1HG   LYS  99          2HG       LYS  99  14.316  -8.661  -2.663
  771   2HG   LYS  99          1HG       LYS  99  14.065  -9.460  -4.215
  772   1HD   LYS  99          2HD       LYS  99  16.391  -8.930  -4.834
  773   2HD   LYS  99          1HD       LYS  99  16.628  -8.192  -3.249
  774   1HE   LYS  99          2HE       LYS  99  17.524 -10.445  -3.268
  775   2HE   LYS  99          1HE       LYS  99  16.133 -10.351  -2.188
  776   1HZ   LYS  99          1HZ       LYS  99  16.331 -12.314  -3.826
  777   2HZ   LYS  99          2HZ       LYS  99  15.771 -11.213  -4.981
  778   3HZ   LYS  99          3HZ       LYS  99  14.826 -11.567  -3.623
  779    H    THR 100           H        THR 100  13.047  -4.716  -3.393
  780    HA   THR 100           HA       THR 100  11.677  -3.292  -5.505
  781    HB   THR 100           HB       THR 100  12.247  -1.261  -4.174
  782    HG1  THR 100           HG1      THR 100  13.657  -1.370  -2.640
  783   1HG2  THR 100          1HG2      THR 100  10.189  -2.036  -3.523
  784   2HG2  THR 100          2HG2      THR 100  11.082  -2.060  -2.001
  785   3HG2  THR 100          3HG2      THR 100  10.835  -3.557  -2.903
  786    H    ASP 101           H        ASP 101  12.774  -1.195  -6.315
  787    HA   ASP 101           HA       ASP 101  15.464  -1.896  -7.281
  788   1HB   ASP 101          2HB       ASP 101  13.294  -0.265  -8.606
  789   2HB   ASP 101          1HB       ASP 101  14.921  -0.453  -9.248
  790    H    LYS 102           H        LYS 102  16.478   0.304  -8.248
  791    HA   LYS 102           HA       LYS 102  17.145   1.888  -5.979
  792   1HB   LYS 102          1HB       LYS 102  18.714   1.245  -7.819
  793   2HB   LYS 102          2HB       LYS 102  17.842   2.351  -8.860
  794   1HG   LYS 102          1HG       LYS 102  18.483   3.858  -6.631
  795   2HG   LYS 102          2HG       LYS 102  19.919   2.891  -6.948
  796   1HD   LYS 102          2HD       LYS 102  20.338   4.727  -8.270
  797   2HD   LYS 102          1HD       LYS 102  19.512   3.682  -9.426
  798   1HE   LYS 102          2HE       LYS 102  17.434   4.860  -9.071
  799   2HE   LYS 102          1HE       LYS 102  18.161   5.833  -7.794
  800   1HZ   LYS 102          1HZ       LYS 102  17.956   6.855 -10.103
  801   2HZ   LYS 102          2HZ       LYS 102  19.245   5.853 -10.541
  802   3HZ   LYS 102          3HZ       LYS 102  19.448   7.002  -9.317
  803    H    TRP 103           H        TRP 103  15.309   2.406  -8.927
  804    HA   TRP 103           HA       TRP 103  14.842   5.183  -8.454
  805   1HB   TRP 103          2HB       TRP 103  13.507   3.310 -10.418
  806   2HB   TRP 103          1HB       TRP 103  13.407   5.066 -10.443
  807    HD1  TRP 103           HD1      TRP 103  15.961   2.234 -10.976
  808    HE1  TRP 103           HE1      TRP 103  17.890   3.124 -12.418
  809    HE3  TRP 103           HE3      TRP 103  14.568   7.151 -11.261
  810    HZ2  TRP 103           HZ2      TRP 103  18.715   5.569 -13.533
  811    HZ3  TRP 103           HZ3      TRP 103  15.989   8.700 -12.544
  812    HH2  TRP 103           HH2      TRP 103  18.019   7.923 -13.657
  813    H    ASP 104           H        ASP 104  13.560   2.554  -6.931
  814    HA   ASP 104           HA       ASP 104  10.822   3.444  -6.754
  815   1HB   ASP 104          2HB       ASP 104  12.370   1.310  -5.275
  816   2HB   ASP 104          1HB       ASP 104  10.677   1.666  -4.954
  817    H    PHE 105           H        PHE 105   9.811   4.289  -4.909
  818    HA   PHE 105           HA       PHE 105   9.537   5.748  -3.197
  819   1HB   PHE 105          2HB       PHE 105  12.152   4.715  -2.074
  820   2HB   PHE 105          1HB       PHE 105  10.840   5.479  -1.189
  821    HD1  PHE 105           HD1      PHE 105  12.227   2.405  -2.363
  822    HD2  PHE 105           HD2      PHE 105   8.643   4.229  -0.972
  823    HE1  PHE 105           HE1      PHE 105  11.299   0.186  -1.858
  824    HE2  PHE 105           HE2      PHE 105   7.710   2.011  -0.463
  825    HZ   PHE 105           HZ       PHE 105   9.040  -0.013  -0.903
  826    H    TYR 106           H        TYR 106  11.123   6.523  -5.574
  827    HA   TYR 106           HA       TYR 106  12.328   8.956  -4.463
  828   1HB   TYR 106          2HB       TYR 106  14.204   7.484  -4.899
  829   2HB   TYR 106          1HB       TYR 106  13.601   7.110  -6.502
  830    HD1  TYR 106           HD1      TYR 106  15.254   7.781  -7.953
  831    HD2  TYR 106           HD2      TYR 106  14.099  10.480  -4.854
  832    HE1  TYR 106           HE1      TYR 106  16.700   9.519  -8.917
  833    HE2  TYR 106           HE2      TYR 106  15.534  12.211  -5.818
  834    HH   TYR 106           HH       TYR 106  17.126  11.780  -8.904
  835    H    CYS 107           H        CYS 107  11.076  10.515  -5.187
  836    HA   CYS 107           HA       CYS 107  10.099  10.424  -7.965
  837   1HB   CYS 107          1HB       CYS 107   8.310  10.451  -6.287
  838   2HB   CYS 107          2HB       CYS 107   8.976  11.914  -5.582
  839    H    GLN 108           HN       GLN 108  11.232  11.677  -9.268
  840    HA   GLN 108           HA       GLN 108  12.230  14.240  -8.263
  841   1HB   GLN 108          1HB       GLN 108  13.972  12.437  -8.689
  842   2HB   GLN 108          2HB       GLN 108  13.558  12.572 -10.398
  843   1HG   GLN 108          2HG       GLN 108  14.042  15.046 -10.136
  844   2HG   GLN 108          1HG       GLN 108  14.790  14.611  -8.603
  845   1HE2  GLN 108          1HE2      GLN 108  16.908  14.612  -8.809
  846   2HE2  GLN 108          2HE2      GLN 108  17.806  13.979 -10.140
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1   6.837  12.877  -4.938
    2   2H    MET   1          2HT       MET   1   5.343  13.365  -5.562
    3   3H    MET   1          3HT       MET   1   6.449  14.522  -5.014
    4    HA   MET   1           HA       MET   1   6.734  12.763  -7.379
    5   1HB   MET   1          2HB       MET   1   5.213  14.728  -7.564
    6   2HB   MET   1          1HB       MET   1   6.550  15.774  -7.111
    7   1HG   MET   1          2HG       MET   1   7.765  15.094  -9.121
    8   2HG   MET   1          1HG       MET   1   6.420  14.049  -9.576
    9   1HE   MET   1          1HE       MET   1   5.777  16.085 -12.269
   10   2HE   MET   1          2HE       MET   1   7.212  15.309 -11.598
   11   3HE   MET   1          3HE       MET   1   7.166  17.062 -11.792
   12    H    GLY   2           H        GLY   2   8.752  12.198  -7.833
   13   1HA   GLY   2          2HA       GLY   2  11.013  12.988  -8.394
   14   2HA   GLY   2          1HA       GLY   2  10.952  13.957  -6.932
   15    HA   PRO   3           HA       PRO   3  12.884   9.800  -5.959
   16   1HB   PRO   3          2HB       PRO   3  15.504  10.753  -5.675
   17   2HB   PRO   3          1HB       PRO   3  14.866   9.833  -7.033
   18   1HG   PRO   3          1HG       PRO   3  15.714  12.538  -7.016
   19   2HG   PRO   3          2HG       PRO   3  14.996  11.633  -8.357
   20   1HD   PRO   3          1HD       PRO   3  13.769  13.599  -6.564
   21   2HD   PRO   3          2HD       PRO   3  13.244  13.037  -8.157
   22    H    MET   4           H        MET   4  12.048   9.676  -3.963
   23    HA   MET   4           HA       MET   4  13.252  11.313  -1.823
   24   1HB   MET   4          1HB       MET   4  10.500  10.049  -1.893
   25   2HB   MET   4          2HB       MET   4  11.140  11.058  -0.607
   26   1HG   MET   4          2HG       MET   4  11.326  12.908  -2.304
   27   2HG   MET   4          1HG       MET   4  10.403  11.879  -3.398
   28   1HE   MET   4          1HE       MET   4   7.979  10.859  -2.678
   29   2HE   MET   4          2HE       MET   4   7.065  11.433  -1.282
   30   3HE   MET   4          3HE       MET   4   8.515  10.453  -1.045
   31    HA   PRO   5           HA       PRO   5  14.727   7.720   0.401
   32   1HB   PRO   5          2HB       PRO   5  12.870   8.307   2.655
   33   2HB   PRO   5          1HB       PRO   5  14.616   8.039   2.678
   34   1HG   PRO   5          1HG       PRO   5  13.636  10.485   2.952
   35   2HG   PRO   5          2HG       PRO   5  15.081  10.202   1.961
   36   1HD   PRO   5          1HD       PRO   5  12.253  10.693   1.102
   37   2HD   PRO   5          2HD       PRO   5  13.770  11.284   0.393
   38    H    LYS   6           H        LYS   6  14.214   5.570   0.921
   39    HA   LYS   6           HA       LYS   6  11.812   4.603  -0.251
   40   1HB   LYS   6          1HB       LYS   6  14.030   3.161   1.199
   41   2HB   LYS   6          2HB       LYS   6  12.695   2.358   0.385
   42   1HG   LYS   6          1HG       LYS   6  13.390   3.429  -1.732
   43   2HG   LYS   6          2HG       LYS   6  14.774   4.127  -0.895
   44   1HD   LYS   6          2HD       LYS   6  15.571   2.199  -2.006
   45   2HD   LYS   6          1HD       LYS   6  15.458   1.771  -0.299
   46   1HE   LYS   6          2HE       LYS   6  14.623  -0.049  -1.641
   47   2HE   LYS   6          1HE       LYS   6  13.287   0.683  -0.755
   48   1HZ   LYS   6          1HZ       LYS   6  13.522   0.304  -3.511
   49   2HZ   LYS   6          2HZ       LYS   6  13.525   1.972  -3.232
   50   3HZ   LYS   6          3HZ       LYS   6  12.247   1.023  -2.661
   51    H    LEU   7           H        LEU   7  10.636   2.786   0.870
   52    HA   LEU   7           HA       LEU   7   9.895   3.528   3.618
   53   1HB   LEU   7          2HB       LEU   7   8.183   4.449   2.320
   54   2HB   LEU   7          1HB       LEU   7   8.259   3.158   1.143
   55    HG   LEU   7           HG       LEU   7   7.275   1.686   3.052
   56   1HD1  LEU   7          1HD1      LEU   7   5.771   4.012   3.954
   57   2HD1  LEU   7          2HD1      LEU   7   7.461   4.034   4.461
   58   3HD1  LEU   7          3HD1      LEU   7   6.435   2.660   4.875
   59   1HD2  LEU   7          1HD2      LEU   7   5.295   1.856   1.954
   60   2HD2  LEU   7          2HD2      LEU   7   6.320   2.737   0.815
   61   3HD2  LEU   7          3HD2      LEU   7   5.311   3.621   1.967
   62    H    ALA   8           H        ALA   8  10.258   1.062   1.163
   63    HA   ALA   8           HA       ALA   8  10.330  -1.010   3.235
   64   1HB   ALA   8          1HB       ALA   8   9.015  -2.540   1.810
   65   2HB   ALA   8          2HB       ALA   8   8.716  -1.210   0.692
   66   3HB   ALA   8          3HB       ALA   8   8.083  -1.138   2.336
   67    H    ASP   9           H        ASP   9  10.942  -3.217   1.872
   68    HA   ASP   9           HA       ASP   9  13.185  -2.474   0.122
   69   1HB   ASP   9          1HB       ASP   9  14.415  -4.461   1.119
   70   2HB   ASP   9          2HB       ASP   9  14.227  -3.058   2.161
   71    H    ARG  10           H        ARG  10  10.885  -5.033   0.985
   72    HA   ARG  10           HA       ARG  10  10.997  -5.972  -1.794
   73   1HB   ARG  10          2HB       ARG  10  11.151  -7.687   0.649
   74   2HB   ARG  10          1HB       ARG  10  10.680  -8.308  -0.925
   75   1HG   ARG  10          1HG       ARG  10  12.831  -7.508  -1.834
   76   2HG   ARG  10          2HG       ARG  10  13.300  -7.026  -0.199
   77   1HD   ARG  10          1HD       ARG  10  12.872  -9.350   0.511
   78   2HD   ARG  10          2HD       ARG  10  12.639  -9.785  -1.171
   79    HE   ARG  10           HE       ARG  10  14.902  -9.815  -1.434
   80   1HH1  ARG  10          1HH1      ARG  10  14.221  -7.980   1.483
   81   2HH1  ARG  10          2HH1      ARG  10  15.894  -7.778   1.880
   82   1HH2  ARG  10          1HH2      ARG  10  17.085  -9.538  -0.889
   83   2HH2  ARG  10          2HH2      ARG  10  17.512  -8.658   0.540
   84    H    LYS  11           H        LYS  11   9.083  -7.119  -2.504
   85    HA   LYS  11           HA       LYS  11   6.695  -6.703  -0.856
   86   1HB   LYS  11          2HB       LYS  11   5.514  -5.827  -2.867
   87   2HB   LYS  11          1HB       LYS  11   6.801  -4.775  -2.295
   88   1HG   LYS  11          2HG       LYS  11   8.271  -5.929  -4.044
   89   2HG   LYS  11          1HG       LYS  11   6.756  -6.524  -4.726
   90   1HD   LYS  11          2HD       LYS  11   5.959  -4.245  -4.984
   91   2HD   LYS  11          1HD       LYS  11   7.446  -3.636  -4.253
   92   1HE   LYS  11          2HE       LYS  11   7.323  -5.264  -6.785
   93   2HE   LYS  11          1HE       LYS  11   7.431  -3.504  -6.735
   94   1HZ   LYS  11          1HZ       LYS  11   9.499  -5.413  -6.530
   95   2HZ   LYS  11          2HZ       LYS  11   9.461  -4.484  -5.117
   96   3HZ   LYS  11          3HZ       LYS  11   9.617  -3.727  -6.622
   97    H    LEU  12           H        LEU  12   4.775  -7.819  -1.762
   98    HA   LEU  12           HA       LEU  12   5.534 -10.358  -3.041
   99   1HB   LEU  12          2HB       LEU  12   3.276  -9.754  -1.124
  100   2HB   LEU  12          1HB       LEU  12   3.476 -11.281  -1.956
  101    HG   LEU  12           HG       LEU  12   5.510 -10.148  -0.033
  102   1HD1  LEU  12          1HD1      LEU  12   3.814 -10.573   1.431
  103   2HD1  LEU  12          2HD1      LEU  12   4.524 -12.184   1.327
  104   3HD1  LEU  12          3HD1      LEU  12   3.076 -11.797   0.397
  105   1HD2  LEU  12          1HD2      LEU  12   5.776 -12.879  -0.109
  106   2HD2  LEU  12          2HD2      LEU  12   6.790 -11.725  -0.976
  107   3HD2  LEU  12          3HD2      LEU  12   5.418 -12.477  -1.789
  108    H    CYS  13           H        CYS  13   5.018 -10.304  -5.120
  109    HA   CYS  13           HA       CYS  13   2.578  -8.904  -5.976
  110   1HB   CYS  13          2HB       CYS  13   4.951  -9.803  -7.623
  111   2HB   CYS  13          1HB       CYS  13   3.583  -8.865  -8.207
  112    H    ALA  14           H        ALA  14   1.704  -9.927  -8.118
  113    HA   ALA  14           HA       ALA  14   1.014 -12.688  -7.496
  114   1HB   ALA  14          1HB       ALA  14  -0.435 -12.139  -9.704
  115   2HB   ALA  14          2HB       ALA  14  -0.196 -10.508  -9.073
  116   3HB   ALA  14          3HB       ALA  14  -0.958 -11.740  -8.066
  117    H    ASP  15           H        ASP  15   2.887 -10.836  -9.740
  118    HA   ASP  15           HA       ASP  15   3.790 -13.311 -11.026
  119   1HB   ASP  15          2HB       ASP  15   2.135 -12.151 -12.497
  120   2HB   ASP  15          1HB       ASP  15   3.204 -10.766 -12.559
  121    H    GLN  16           H        GLN  16   5.796 -12.854 -12.332
  122    HA   GLN  16           HA       GLN  16   7.790 -11.769 -10.625
  123   1HB   GLN  16          2HB       GLN  16   8.085 -13.691 -12.219
  124   2HB   GLN  16          1HB       GLN  16   8.080 -12.529 -13.536
  125   1HG   GLN  16          2HG       GLN  16  10.074 -11.465 -12.610
  126   2HG   GLN  16          1HG       GLN  16  10.079 -12.629 -11.286
  127   1HE2  GLN  16          1HE2      GLN  16  11.472 -14.211 -11.541
  128   2HE2  GLN  16          2HE2      GLN  16  11.987 -14.891 -13.042
  129    H    GLU  17           H        GLU  17   5.880 -10.418 -13.154
  130    HA   GLU  17           HA       GLU  17   7.668  -8.169 -13.621
  131   1HB   GLU  17          2HB       GLU  17   4.890  -8.712 -14.688
  132   2HB   GLU  17          1HB       GLU  17   5.951  -7.417 -15.217
  133   1HG   GLU  17          2HG       GLU  17   7.562  -9.110 -16.003
  134   2HG   GLU  17          1HG       GLU  17   6.420 -10.367 -15.544
  135    H    CYS  18           H        CYS  18   5.154  -8.988 -11.471
  136    HA   CYS  18           HA       CYS  18   3.904  -7.857  -9.952
  137   1HB   CYS  18          1HB       CYS  18   6.089  -5.801 -10.350
  138   2HB   CYS  18          2HB       CYS  18   4.803  -5.611  -9.163
  139    H    SER  19           H        SER  19   3.417  -7.648 -12.816
  140    HA   SER  19           HA       SER  19   2.076  -5.069 -13.085
  141   1HB   SER  19          2HB       SER  19   3.539  -5.590 -14.905
  142   2HB   SER  19          1HB       SER  19   2.834  -7.189 -15.079
  143    HG   SER  19           HG       SER  19   1.715  -6.149 -16.562
  144    H    HIS  20           H        HIS  20   1.372  -8.030 -11.928
  145    HA   HIS  20           HA       HIS  20  -1.345  -8.151 -13.021
  146   1HB   HIS  20          2HB       HIS  20   0.491 -10.130 -11.774
  147   2HB   HIS  20          1HB       HIS  20  -1.229 -10.350 -11.500
  148    HD1  HIS  20           HD1      HIS  20  -0.533 -12.617 -12.855
  149    HD2  HIS  20           HD2      HIS  20  -0.776  -9.103 -15.058
  150    HE1  HIS  20           HE1      HIS  20  -0.841 -13.342 -15.231
  151    HE2  HIS  20           HE2      HIS  20  -1.048 -11.202 -16.548
  152    HA   PRO  21           HA       PRO  21  -2.878  -6.757  -9.050
  153   1HB   PRO  21          1HB       PRO  21  -5.547  -7.052  -9.571
  154   2HB   PRO  21          2HB       PRO  21  -4.565  -5.732 -10.217
  155   1HG   PRO  21          1HG       PRO  21  -5.767  -7.968 -11.621
  156   2HG   PRO  21          2HG       PRO  21  -4.971  -6.535 -12.289
  157   1HD   PRO  21          1HD       PRO  21  -3.909  -9.237 -11.917
  158   2HD   PRO  21          2HD       PRO  21  -3.259  -7.889 -12.876
  159    H    ILE  22           H        ILE  22  -2.673  -7.970  -7.267
  160    HA   ILE  22           HA       ILE  22  -3.242 -10.722  -7.113
  161    HB   ILE  22           HB       ILE  22  -2.974  -8.798  -4.791
  162   1HG1  ILE  22          1HG1      ILE  22  -0.805 -10.505  -6.030
  163   2HG1  ILE  22          2HG1      ILE  22  -1.059  -8.815  -6.466
  164   1HG2  ILE  22          1HG2      ILE  22  -2.011 -11.520  -4.418
  165   2HG2  ILE  22          2HG2      ILE  22  -3.737 -11.462  -4.777
  166   3HG2  ILE  22          3HG2      ILE  22  -3.090 -10.556  -3.409
  167   1HD1  ILE  22          1HD1      ILE  22   0.651  -8.767  -4.891
  168   2HD1  ILE  22          2HD1      ILE  22  -0.138  -9.959  -3.858
  169   3HD1  ILE  22          3HD1      ILE  22  -0.790  -8.324  -3.975
  170    H    SER  23           H        SER  23  -4.890  -8.091  -5.316
  171    HA   SER  23           HA       SER  23  -7.418  -9.520  -5.711
  172   1HB   SER  23          2HB       SER  23  -6.417  -8.549  -3.024
  173   2HB   SER  23          1HB       SER  23  -8.007  -9.242  -3.339
  174    HG   SER  23           HG       SER  23  -6.264 -10.683  -2.515
  175    H    MET  24           H        MET  24  -9.211  -8.281  -5.815
  176    HA   MET  24           HA       MET  24  -8.824  -5.411  -6.119
  177   1HB   MET  24          1HB       MET  24 -10.032  -6.737  -7.848
  178   2HB   MET  24          2HB       MET  24 -11.264  -7.114  -6.654
  179   1HG   MET  24          2HG       MET  24 -10.672  -4.258  -7.073
  180   2HG   MET  24          1HG       MET  24 -11.459  -5.107  -8.397
  181   1HE   MET  24          1HE       MET  24 -13.452  -6.400  -8.280
  182   2HE   MET  24          2HE       MET  24 -14.861  -5.970  -7.309
  183   3HE   MET  24          3HE       MET  24 -13.709  -7.164  -6.711
  184    H    ALA  25           H        ALA  25  -9.045  -4.197  -4.357
  185    HA   ALA  25           HA       ALA  25 -10.947  -5.052  -2.277
  186   1HB   ALA  25          1HB       ALA  25  -9.045  -4.991  -1.072
  187   2HB   ALA  25          2HB       ALA  25  -9.401  -3.266  -0.991
  188   3HB   ALA  25          3HB       ALA  25  -8.249  -3.872  -2.180
  189    H    VAL  26           H        VAL  26 -12.330  -3.600  -1.331
  190    HA   VAL  26           HA       VAL  26 -12.895  -1.188  -2.913
  191    HB   VAL  26           HB       VAL  26 -14.618  -2.478  -0.777
  192   1HG1  VAL  26          1HG2      VAL  26 -16.418  -1.201  -2.121
  193   2HG1  VAL  26          2HG2      VAL  26 -15.065  -0.249  -2.732
  194   3HG1  VAL  26          3HG2      VAL  26 -15.399  -0.296  -1.000
  195   1HG2  VAL  26          1HG1      VAL  26 -15.286  -4.010  -2.242
  196   2HG2  VAL  26          2HG1      VAL  26 -14.023  -3.458  -3.341
  197   3HG2  VAL  26          3HG1      VAL  26 -15.642  -2.769  -3.442
  198    H    ALA  27           H        ALA  27 -12.967   0.869  -2.020
  199    HA   ALA  27           HA       ALA  27 -11.456   1.256   0.426
  200   1HB   ALA  27          1HB       ALA  27 -11.083   2.621  -1.629
  201   2HB   ALA  27          2HB       ALA  27 -11.377   3.568  -0.171
  202   3HB   ALA  27          3HB       ALA  27 -12.662   3.360  -1.361
  203    H    LEU  28           H        LEU  28 -12.221   1.879   2.361
  204    HA   LEU  28           HA       LEU  28 -15.122   2.068   2.667
  205   1HB   LEU  28          2HB       LEU  28 -12.929   1.626   4.691
  206   2HB   LEU  28          1HB       LEU  28 -14.609   1.836   5.124
  207    HG   LEU  28           HG       LEU  28 -14.150  -0.483   5.234
  208   1HD1  LEU  28          1HD1      LEU  28 -15.891  -1.315   4.045
  209   2HD1  LEU  28          2HD1      LEU  28 -15.411  -0.504   2.554
  210   3HD1  LEU  28          3HD1      LEU  28 -16.213   0.407   3.835
  211   1HD2  LEU  28          1HD2      LEU  28 -13.381  -0.977   2.468
  212   2HD2  LEU  28          2HD2      LEU  28 -12.721  -1.623   3.970
  213   3HD2  LEU  28          3HD2      LEU  28 -12.198  -0.043   3.385
  214    H    GLN  29           H        GLN  29 -12.375   4.143   2.708
  215    HA   GLN  29           HA       GLN  29 -14.097   6.336   3.551
  216   1HB   GLN  29          2HB       GLN  29 -12.518   7.188   5.213
  217   2HB   GLN  29          1HB       GLN  29 -13.114   5.594   5.652
  218   1HG   GLN  29          2HG       GLN  29 -11.063   4.566   5.028
  219   2HG   GLN  29          1HG       GLN  29 -10.470   6.057   4.296
  220   1HE2  GLN  29          1HE2      GLN  29  -9.182   7.255   5.481
  221   2HE2  GLN  29          2HE2      GLN  29  -9.049   7.218   7.201
  222    H    ASP  30           H        ASP  30 -12.694   8.454   3.597
  223    HA   ASP  30           HA       ASP  30 -11.559   8.720   0.941
  224   1HB   ASP  30          2HB       ASP  30 -12.128  10.786   3.082
  225   2HB   ASP  30          1HB       ASP  30 -11.588  11.146   1.445
  226    H    TYR  31           H        TYR  31  -9.520   9.594   0.495
  227    HA   TYR  31           HA       TYR  31  -7.603  10.000   2.629
  228   1HB   TYR  31          2HB       TYR  31  -7.621   7.487   2.010
  229   2HB   TYR  31          1HB       TYR  31  -6.905   7.994   0.486
  230    HD1  TYR  31           HD1      TYR  31  -4.596   8.516   0.327
  231    HD2  TYR  31           HD2      TYR  31  -6.369   7.960   4.158
  232    HE1  TYR  31           HE1      TYR  31  -2.361   8.517   1.353
  233    HE2  TYR  31           HE2      TYR  31  -4.138   7.956   5.193
  234    HH   TYR  31           HH       TYR  31  -1.552   7.330   3.994
  235    H    MET  32           H        MET  32  -6.388  11.702   2.101
  236    HA   MET  32           HA       MET  32  -6.133  12.426  -0.742
  237   1HB   MET  32          2HB       MET  32  -5.874  14.153   1.729
  238   2HB   MET  32          1HB       MET  32  -5.591  14.712   0.087
  239   1HG   MET  32          1HG       MET  32  -8.202  13.663   1.161
  240   2HG   MET  32          2HG       MET  32  -7.792  15.354   0.904
  241   1HE   MET  32          1HE       MET  32 -10.041  15.396  -0.124
  242   2HE   MET  32          2HE       MET  32 -10.520  13.798  -0.699
  243   3HE   MET  32          3HE       MET  32 -10.324  15.125  -1.844
  244    H    ALA  33           H        ALA  33  -4.176  12.401  -1.681
  245    HA   ALA  33           HA       ALA  33  -1.857  11.861   0.056
  246   1HB   ALA  33          1HB       ALA  33  -0.877  10.742  -1.903
  247   2HB   ALA  33          2HB       ALA  33  -2.371  11.046  -2.788
  248   3HB   ALA  33          3HB       ALA  33  -2.385  10.007  -1.363
  249    HA   PRO  34           HA       PRO  34  -0.170  15.661  -1.611
  250   1HB   PRO  34          2HB       PRO  34   2.176  15.353  -0.024
  251   2HB   PRO  34          1HB       PRO  34   0.771  16.361   0.316
  252   1HG   PRO  34          2HG       PRO  34   1.529  14.147   1.783
  253   2HG   PRO  34          1HG       PRO  34  -0.107  14.837   1.762
  254   1HD   PRO  34          2HD       PRO  34   0.986  12.486   0.263
  255   2HD   PRO  34          1HD       PRO  34  -0.597  12.693   1.043
  256    H    ASP  35           H        ASP  35   2.375  13.240  -0.928
  257    HA   ASP  35           HA       ASP  35   3.718  13.937  -3.415
  258   1HB   ASP  35          2HB       ASP  35   5.550  12.472  -2.501
  259   2HB   ASP  35          1HB       ASP  35   5.151  13.875  -1.516
  260    H    CYS  36           H        CYS  36   4.845  12.070  -4.579
  261    HA   CYS  36           HA       CYS  36   2.880  10.424  -5.752
  262   1HB   CYS  36          1HB       CYS  36   4.916  11.314  -6.891
  263   2HB   CYS  36          2HB       CYS  36   5.880  10.156  -5.982
  264    H    ARG  37           H        ARG  37   4.750   9.896  -2.906
  265    HA   ARG  37           HA       ARG  37   4.971   7.061  -3.096
  266   1HB   ARG  37          1HB       ARG  37   5.411   9.074  -0.979
  267   2HB   ARG  37          2HB       ARG  37   5.019   7.455  -0.424
  268   1HG   ARG  37          2HG       ARG  37   6.882   6.569  -1.751
  269   2HG   ARG  37          1HG       ARG  37   7.294   8.214  -2.235
  270   1HD   ARG  37          1HD       ARG  37   8.675   7.393  -0.365
  271   2HD   ARG  37          2HD       ARG  37   7.746   8.819   0.058
  272    HE   ARG  37           HE       ARG  37   6.338   6.489   0.793
  273   1HH1  ARG  37          1HH1      ARG  37   9.094   8.427   1.763
  274   2HH1  ARG  37          2HH1      ARG  37   8.957   7.995   3.434
  275   1HH2  ARG  37          1HH2      ARG  37   6.168   5.943   2.991
  276   2HH2  ARG  37          2HH2      ARG  37   7.304   6.590   4.127
  277    H    PHE  38           H        PHE  38   2.328   9.154  -2.308
  278    HA   PHE  38           HA       PHE  38   0.825   6.772  -1.426
  279   1HB   PHE  38          2HB       PHE  38   0.476   9.623  -0.481
  280   2HB   PHE  38          1HB       PHE  38  -0.640   8.317  -0.108
  281    HD1  PHE  38           HD1      PHE  38   2.692   9.709   0.542
  282    HD2  PHE  38           HD2      PHE  38  -0.063   6.606   1.499
  283    HE1  PHE  38           HE1      PHE  38   4.043   9.118   2.509
  284    HE2  PHE  38           HE2      PHE  38   1.284   6.015   3.469
  285    HZ   PHE  38           HZ       PHE  38   3.340   7.271   3.976
  286    H    LEU  39           H        LEU  39  -1.438   6.716  -1.939
  287    HA   LEU  39           HA       LEU  39  -2.047   8.097  -4.474
  288   1HB   LEU  39          1HB       LEU  39  -2.650   5.390  -3.410
  289   2HB   LEU  39          2HB       LEU  39  -3.869   6.137  -4.422
  290    HG   LEU  39           HG       LEU  39  -1.019   5.891  -5.353
  291   1HD1  LEU  39          1HD1      LEU  39  -3.233   3.860  -5.597
  292   2HD1  LEU  39          2HD1      LEU  39  -1.697   3.654  -4.755
  293   3HD1  LEU  39          3HD1      LEU  39  -1.725   3.824  -6.510
  294   1HD2  LEU  39          1HD2      LEU  39  -2.420   7.388  -6.635
  295   2HD2  LEU  39          2HD2      LEU  39  -3.683   6.161  -6.746
  296   3HD2  LEU  39          3HD2      LEU  39  -2.140   5.916  -7.567
  297    H    THR  40           H        THR  40  -3.966   9.177  -4.763
  298    HA   THR  40           HA       THR  40  -5.451   9.840  -2.343
  299    HB   THR  40           HB       THR  40  -5.753  10.977  -5.139
  300    HG1  THR  40           HG1      THR  40  -4.096  11.679  -2.984
  301   1HG2  THR  40          1HG2      THR  40  -6.467  12.436  -2.632
  302   2HG2  THR  40          2HG2      THR  40  -7.614  11.306  -3.356
  303   3HG2  THR  40          3HG2      THR  40  -7.033  12.688  -4.286
  304    H    ILE  41           H        ILE  41  -6.994   8.467  -1.811
  305    HA   ILE  41           HA       ILE  41  -8.655   7.260  -3.934
  306    HB   ILE  41           HB       ILE  41  -8.146   6.196  -1.138
  307   1HG1  ILE  41          2HG1      ILE  41  -7.045   5.116  -3.744
  308   2HG1  ILE  41          1HG1      ILE  41  -6.144   6.218  -2.713
  309   1HG2  ILE  41          1HG2      ILE  41  -9.165   4.128  -1.993
  310   2HG2  ILE  41          2HG2      ILE  41  -9.483   4.925  -3.534
  311   3HG2  ILE  41          3HG2      ILE  41 -10.290   5.484  -2.069
  312   1HD1  ILE  41          1HD1      ILE  41  -6.450   4.502  -0.867
  313   2HD1  ILE  41          2HD1      ILE  41  -5.354   4.084  -2.188
  314   3HD1  ILE  41          3HD1      ILE  41  -6.979   3.400  -2.140
  315    H    HIS  42           H        HIS  42 -10.905   7.159  -3.652
  316    HA   HIS  42           HA       HIS  42 -11.979   8.962  -1.586
  317   1HB   HIS  42          2HB       HIS  42 -13.066   8.310  -4.334
  318   2HB   HIS  42          1HB       HIS  42 -13.941   9.241  -3.125
  319    HD1  HIS  42           HD1      HIS  42 -12.250  11.367  -2.204
  320    HD2  HIS  42           HD2      HIS  42 -11.875   9.960  -6.096
  321    HE1  HIS  42           HE1      HIS  42 -11.131  13.221  -3.484
  322    HE2  HIS  42           HE2      HIS  42 -11.005  12.383  -5.858
  323    H    ARG  43           H        ARG  43 -14.035   8.422  -0.686
  324    HA   ARG  43           HA       ARG  43 -14.194   5.757   0.211
  325   1HB   ARG  43          2HB       ARG  43 -14.943   7.875   1.394
  326   2HB   ARG  43          1HB       ARG  43 -16.377   7.833   0.381
  327   1HG   ARG  43          1HG       ARG  43 -17.049   5.730   1.331
  328   2HG   ARG  43          2HG       ARG  43 -15.542   5.626   2.250
  329   1HD   ARG  43          2HD       ARG  43 -17.687   7.720   2.581
  330   2HD   ARG  43          1HD       ARG  43 -17.378   6.368   3.667
  331    HE   ARG  43           HE       ARG  43 -15.023   7.854   3.419
  332   1HH1  ARG  43          1HH1      ARG  43 -18.234   8.215   4.781
  333   2HH1  ARG  43          2HH1      ARG  43 -17.714   9.320   6.007
  334   1HH2  ARG  43          1HH2      ARG  43 -14.360   9.304   5.034
  335   2HH2  ARG  43          2HH2      ARG  43 -15.523   9.937   6.151
  336    H    GLY  44           H        GLY  44 -14.893   4.048  -0.892
  337   1HA   GLY  44          2HA       GLY  44 -16.711   2.819  -1.824
  338   2HA   GLY  44          1HA       GLY  44 -17.351   4.314  -2.479
  339    H    GLN  45           H        GLN  45 -14.109   4.404  -3.155
  340    HA   GLN  45           HA       GLN  45 -14.603   3.706  -5.912
  341   1HB   GLN  45          1HB       GLN  45 -12.203   4.815  -4.482
  342   2HB   GLN  45          2HB       GLN  45 -12.127   4.316  -6.166
  343   1HG   GLN  45          1HG       GLN  45 -14.109   5.881  -6.533
  344   2HG   GLN  45          2HG       GLN  45 -13.724   6.536  -4.941
  345   1HE2  GLN  45          1HE2      GLN  45 -13.337   7.091  -8.094
  346   2HE2  GLN  45          2HE2      GLN  45 -11.829   7.934  -8.089
  347    H    VAL  46           H        VAL  46 -13.042   2.397  -7.149
  348    HA   VAL  46           HA       VAL  46 -12.562  -0.148  -5.771
  349    HB   VAL  46           HB       VAL  46 -12.341   0.324  -8.743
  350   1HG1  VAL  46          1HG1      VAL  46 -11.431  -1.764  -7.835
  351   2HG1  VAL  46          2HG1      VAL  46 -12.805  -2.044  -8.904
  352   3HG1  VAL  46          3HG1      VAL  46 -13.012  -2.146  -7.155
  353   1HG2  VAL  46          1HG2      VAL  46 -14.518   1.063  -8.406
  354   2HG2  VAL  46          2HG2      VAL  46 -14.819  -0.097  -7.112
  355   3HG2  VAL  46          3HG2      VAL  46 -14.719  -0.647  -8.785
  356    H    VAL  47           H        VAL  47 -10.558  -0.514  -5.052
  357    HA   VAL  47           HA       VAL  47  -8.283   0.687  -6.499
  358    HB   VAL  47           HB       VAL  47  -8.148  -0.320  -3.661
  359   1HG1  VAL  47          1HG1      VAL  47  -6.052   0.456  -3.643
  360   2HG1  VAL  47          2HG1      VAL  47  -6.493   1.943  -4.481
  361   3HG1  VAL  47          3HG1      VAL  47  -6.193   0.469  -5.401
  362   1HG2  VAL  47          1HG2      VAL  47  -8.202   2.486  -3.588
  363   2HG2  VAL  47          2HG2      VAL  47  -9.398   1.365  -2.934
  364   3HG2  VAL  47          3HG2      VAL  47  -9.581   1.993  -4.571
  365    H    TYR  48           H        TYR  48  -6.857  -0.656  -7.467
  366    HA   TYR  48           HA       TYR  48  -7.162  -3.525  -6.974
  367   1HB   TYR  48          2HB       TYR  48  -5.932  -1.991  -9.258
  368   2HB   TYR  48          1HB       TYR  48  -5.621  -3.699  -9.033
  369    HD1  TYR  48           HD1      TYR  48  -6.728  -4.922 -10.612
  370    HD2  TYR  48           HD2      TYR  48  -8.771  -1.634  -8.844
  371    HE1  TYR  48           HE1      TYR  48  -8.739  -5.479 -11.908
  372    HE2  TYR  48           HE2      TYR  48 -10.785  -2.187 -10.135
  373    HH   TYR  48           HH       TYR  48 -11.222  -5.108 -11.706
  374    H    VAL  49           H        VAL  49  -5.769  -4.544  -5.691
  375    HA   VAL  49           HA       VAL  49  -3.308  -3.226  -4.877
  376    HB   VAL  49           HB       VAL  49  -4.361  -5.924  -3.993
  377   1HG1  VAL  49          1HG1      VAL  49  -2.960  -5.306  -1.934
  378   2HG1  VAL  49          2HG1      VAL  49  -2.187  -4.118  -2.984
  379   3HG1  VAL  49          3HG1      VAL  49  -2.107  -5.835  -3.384
  380   1HG2  VAL  49          1HG2      VAL  49  -5.330  -3.281  -3.401
  381   2HG2  VAL  49          2HG2      VAL  49  -4.717  -4.055  -1.939
  382   3HG2  VAL  49          3HG2      VAL  49  -5.967  -4.847  -2.897
  383    H    PHE  50           H        PHE  50  -1.432  -3.551  -5.882
  384    HA   PHE  50           HA       PHE  50  -1.157  -5.861  -7.657
  385   1HB   PHE  50          1HB       PHE  50   0.196  -3.183  -7.548
  386   2HB   PHE  50          2HB       PHE  50   0.928  -4.518  -8.429
  387    HD1  PHE  50           HD1      PHE  50  -2.264  -2.592  -8.187
  388    HD2  PHE  50           HD2      PHE  50   0.353  -4.900 -10.627
  389    HE1  PHE  50           HE1      PHE  50  -3.648  -2.078 -10.154
  390    HE2  PHE  50           HE2      PHE  50  -1.028  -4.387 -12.596
  391    HZ   PHE  50           HZ       PHE  50  -3.030  -2.975 -12.362
  392    H    SER  51           H        SER  51   0.330  -4.386  -4.823
  393    HA   SER  51           HA       SER  51   1.830  -6.848  -4.392
  394   1HB   SER  51          2HB       SER  51   3.955  -5.638  -3.987
  395   2HB   SER  51          1HB       SER  51   3.420  -5.508  -5.660
  396    HG   SER  51           HG       SER  51   4.071  -3.538  -4.166
  397    H    LYS  52           H        LYS  52   2.812  -6.997  -2.267
  398    HA   LYS  52           HA       LYS  52   1.594  -5.216  -0.255
  399   1HB   LYS  52          2HB       LYS  52   2.028  -8.180   0.166
  400   2HB   LYS  52          1HB       LYS  52   1.201  -7.066   1.231
  401   1HG   LYS  52          1HG       LYS  52  -0.585  -6.801  -0.404
  402   2HG   LYS  52          2HG       LYS  52   0.247  -7.907  -1.498
  403   1HD   LYS  52          1HD       LYS  52   0.052  -9.695   0.162
  404   2HD   LYS  52          2HD       LYS  52  -0.782  -8.589   1.255
  405   1HE   LYS  52          2HE       LYS  52  -2.579  -8.325  -0.383
  406   2HE   LYS  52          1HE       LYS  52  -1.744  -9.431  -1.479
  407   1HZ   LYS  52          1HZ       LYS  52  -1.899 -11.096   0.402
  408   2HZ   LYS  52          2HZ       LYS  52  -3.344 -10.719  -0.391
  409   3HZ   LYS  52          3HZ       LYS  52  -3.011 -10.045   1.124
  410    H    LEU  53           H        LEU  53   3.253  -4.058   0.532
  411    HA   LEU  53           HA       LEU  53   5.958  -4.892   0.416
  412   1HB   LEU  53          1HB       LEU  53   4.760  -2.696   2.105
  413   2HB   LEU  53          2HB       LEU  53   6.455  -2.874   1.682
  414    HG   LEU  53           HG       LEU  53   4.249  -2.373  -0.326
  415   1HD1  LEU  53          1HD2      LEU  53   5.241  -0.589   1.540
  416   2HD1  LEU  53          2HD2      LEU  53   4.392  -0.189   0.047
  417   3HD1  LEU  53          3HD2      LEU  53   6.154  -0.232   0.074
  418   1HD2  LEU  53          1HD1      LEU  53   6.658  -1.525  -1.373
  419   2HD2  LEU  53          2HD1      LEU  53   5.803  -3.011  -1.792
  420   3HD2  LEU  53          3HD1      LEU  53   7.067  -3.035  -0.560
  421    H    LYS  54           H        LYS  54   7.449  -5.223   2.150
  422    HA   LYS  54           HA       LYS  54   6.280  -6.248   4.662
  423   1HB   LYS  54          2HB       LYS  54   8.472  -7.608   3.068
  424   2HB   LYS  54          1HB       LYS  54   7.845  -8.146   4.616
  425   1HG   LYS  54          2HG       LYS  54   5.642  -8.500   3.565
  426   2HG   LYS  54          1HG       LYS  54   6.360  -8.084   2.008
  427   1HD   LYS  54          2HD       LYS  54   7.351 -10.315   3.778
  428   2HD   LYS  54          1HD       LYS  54   6.201 -10.538   2.470
  429   1HE   LYS  54          2HE       LYS  54   9.025  -9.514   2.204
  430   2HE   LYS  54          1HE       LYS  54   8.451 -11.115   1.743
  431   1HZ   LYS  54          1HZ       LYS  54   8.459  -8.772   0.215
  432   2HZ   LYS  54          2HZ       LYS  54   6.846  -9.214   0.466
  433   3HZ   LYS  54          3HZ       LYS  54   7.923 -10.313  -0.233
  434    H    GLY  55           H        GLY  55   8.480  -6.957   6.037
  435   1HA   GLY  55          2HA       GLY  55  10.509  -6.247   6.956
  436   2HA   GLY  55          1HA       GLY  55  10.524  -4.899   5.830
  437    H    ARG  56           H        ARG  56   9.888  -2.944   6.507
  438    HA   ARG  56           HA       ARG  56   8.940  -2.732   9.277
  439   1HB   ARG  56          1HB       ARG  56   9.741  -0.383   9.162
  440   2HB   ARG  56          2HB       ARG  56  11.016  -1.563   8.899
  441   1HG   ARG  56          2HG       ARG  56  10.890  -1.167   6.490
  442   2HG   ARG  56          1HG       ARG  56   9.609   0.018   6.754
  443   1HD   ARG  56          2HD       ARG  56  11.136   1.386   8.079
  444   2HD   ARG  56          1HD       ARG  56  12.415   0.195   7.851
  445    HE   ARG  56           HE       ARG  56  11.625   2.233   6.024
  446   1HH1  ARG  56          1HH1      ARG  56  12.976  -1.007   6.153
  447   2HH1  ARG  56          2HH1      ARG  56  13.724  -0.878   4.597
  448   1HH2  ARG  56          1HH2      ARG  56  12.617   2.378   3.991
  449   2HH2  ARG  56          2HH2      ARG  56  13.523   1.035   3.376
  450    H    GLY  57           H        GLY  57   7.733  -2.717   6.215
  451   1HA   GLY  57          1HA       GLY  57   5.442  -1.053   7.032
  452   2HA   GLY  57          2HA       GLY  57   6.142  -0.880   5.431
  453    H    ARG  58           H        ARG  58   5.234  -3.666   7.464
  454    HA   ARG  58           HA       ARG  58   4.269  -5.145   5.224
  455   1HB   ARG  58          1HB       ARG  58   3.382  -6.730   7.023
  456   2HB   ARG  58          2HB       ARG  58   5.120  -6.506   6.926
  457   1HG   ARG  58          1HG       ARG  58   3.741  -4.696   8.781
  458   2HG   ARG  58          2HG       ARG  58   3.689  -6.406   9.212
  459   1HD   ARG  58          2HD       ARG  58   6.223  -4.952   8.481
  460   2HD   ARG  58          1HD       ARG  58   5.646  -5.114  10.140
  461    HE   ARG  58           HE       ARG  58   6.995  -7.084   8.587
  462   1HH1  ARG  58          1HH1      ARG  58   4.607  -6.732  11.140
  463   2HH1  ARG  58          2HH1      ARG  58   4.875  -8.325  11.762
  464   1HH2  ARG  58          1HH2      ARG  58   7.327  -9.164   9.424
  465   2HH2  ARG  58          2HH2      ARG  58   6.412  -9.699  10.794
  466    H    LEU  59           H        LEU  59   2.889  -2.723   7.112
  467    HA   LEU  59           HA       LEU  59   0.159  -3.632   6.618
  468   1HB   LEU  59          2HB       LEU  59  -0.565  -1.770   8.023
  469   2HB   LEU  59          1HB       LEU  59   0.589  -2.787   8.855
  470    HG   LEU  59           HG       LEU  59   1.572  -0.304   7.503
  471   1HD1  LEU  59          1HD1      LEU  59  -0.034  -0.451  10.031
  472   2HD1  LEU  59          2HD1      LEU  59  -0.199   0.666   8.676
  473   3HD1  LEU  59          3HD1      LEU  59   1.170   0.812   9.778
  474   1HD2  LEU  59          1HD2      LEU  59   3.446  -0.834   8.574
  475   2HD2  LEU  59          2HD2      LEU  59   2.667  -2.297   9.174
  476   3HD2  LEU  59          3HD2      LEU  59   2.599  -0.810  10.120
  477    H    PHE  60           H        PHE  60   2.395  -2.225   4.807
  478    HA   PHE  60           HA       PHE  60   0.572  -0.268   3.581
  479   1HB   PHE  60          2HB       PHE  60   3.579  -0.519   3.465
  480   2HB   PHE  60          1HB       PHE  60   2.675   0.506   2.359
  481    HD1  PHE  60           HD1      PHE  60   1.950   2.644   3.003
  482    HD2  PHE  60           HD2      PHE  60   3.492  -0.029   5.936
  483    HE1  PHE  60           HE1      PHE  60   2.032   4.484   4.633
  484    HE2  PHE  60           HE2      PHE  60   3.570   1.807   7.572
  485    HZ   PHE  60           HZ       PHE  60   2.839   4.066   6.921
  486    H    TRP  61           H        TRP  61  -0.435  -0.848   1.815
  487    HA   TRP  61           HA       TRP  61   0.674  -3.008   0.153
  488   1HB   TRP  61          2HB       TRP  61  -2.161  -2.176   0.744
  489   2HB   TRP  61          1HB       TRP  61  -1.774  -3.166  -0.655
  490    HD1  TRP  61           HD1      TRP  61   0.527  -4.458   1.804
  491    HE1  TRP  61           HE1      TRP  61  -0.423  -6.495   3.039
  492    HE3  TRP  61           HE3      TRP  61  -4.414  -3.938   0.568
  493    HZ2  TRP  61           HZ2      TRP  61  -2.929  -7.713   3.467
  494    HZ3  TRP  61           HZ3      TRP  61  -6.020  -5.581   1.445
  495    HH2  TRP  61           HH2      TRP  61  -5.293  -7.429   2.863
  496    H    GLY  62           H        GLY  62   1.260  -2.567  -1.863
  497   1HA   GLY  62          2HA       GLY  62   0.761   0.127  -2.905
  498   2HA   GLY  62          1HA       GLY  62   1.961  -1.046  -3.521
  499    H    GLY  63           H        GLY  63   0.248   0.428  -5.161
  500   1HA   GLY  63          2HA       GLY  63  -0.622  -1.336  -7.030
  501   2HA   GLY  63          1HA       GLY  63  -2.006  -1.173  -5.958
  502    H    SER  64           H        SER  64  -3.222  -0.268  -7.644
  503    HA   SER  64           HA       SER  64  -2.893   2.603  -7.903
  504   1HB   SER  64          2HB       SER  64  -3.016   0.804 -10.340
  505   2HB   SER  64          1HB       SER  64  -3.184   2.561 -10.378
  506    HG   SER  64           HG       SER  64  -0.931   0.994 -10.040
  507    H    VAL  65           H        VAL  65  -4.810   3.598  -7.785
  508    HA   VAL  65           HA       VAL  65  -7.201   1.946  -7.641
  509    HB   VAL  65           HB       VAL  65  -6.874   3.474  -5.801
  510   1HG1  VAL  65          1HG1      VAL  65  -6.855   5.679  -7.857
  511   2HG1  VAL  65          2HG1      VAL  65  -5.513   5.175  -6.830
  512   3HG1  VAL  65          3HG1      VAL  65  -6.937   5.928  -6.113
  513   1HG2  VAL  65          1HG2      VAL  65  -9.091   3.543  -5.727
  514   2HG2  VAL  65          2HG2      VAL  65  -9.202   3.543  -7.489
  515   3HG2  VAL  65          3HG2      VAL  65  -9.021   5.067  -6.613
  516    H    GLN  66           H        GLN  66  -8.901   1.998  -9.002
  517    HA   GLN  66           HA       GLN  66  -8.547   3.361 -11.535
  518   1HB   GLN  66          2HB       GLN  66 -10.766   1.522 -10.629
  519   2HB   GLN  66          1HB       GLN  66 -10.482   2.070 -12.275
  520   1HG   GLN  66          2HG       GLN  66  -8.081   1.003 -11.706
  521   2HG   GLN  66          1HG       GLN  66  -9.119   0.004 -10.696
  522   1HE2  GLN  66          1HE2      GLN  66 -11.003   0.951 -13.262
  523   2HE2  GLN  66          2HE2      GLN  66 -10.743  -0.399 -14.301
  524    H    GLY  67           H        GLY  67 -10.965   3.996 -12.457
  525   1HA   GLY  67          1HA       GLY  67 -12.991   5.218 -11.877
  526   2HA   GLY  67          2HA       GLY  67 -12.107   5.920 -10.526
  527    H    ASP  68           H        ASP  68  -9.944   6.956 -11.363
  528    HA   ASP  68           HA       ASP  68 -10.623   8.726 -13.621
  529   1HB   ASP  68          2HB       ASP  68  -8.952   9.310 -11.160
  530   2HB   ASP  68          1HB       ASP  68  -9.134  10.407 -12.523
  531    H    TYR  69           H        TYR  69  -8.799   6.186 -12.731
  532    HA   TYR  69           HA       TYR  69  -6.425   6.912 -14.288
  533   1HB   TYR  69          2HB       TYR  69  -6.982   4.802 -12.213
  534   2HB   TYR  69          1HB       TYR  69  -5.621   4.640 -13.307
  535    HD1  TYR  69           HD1      TYR  69  -3.709   4.942 -12.072
  536    HD2  TYR  69           HD2      TYR  69  -6.939   7.646 -11.452
  537    HE1  TYR  69           HE1      TYR  69  -2.309   6.257 -10.545
  538    HE2  TYR  69           HE2      TYR  69  -5.540   8.971  -9.927
  539    HH   TYR  69           HH       TYR  69  -2.916   9.311  -9.660
  540    H    TYR  70           H        TYR  70  -6.990   6.604 -16.369
  541    HA   TYR  70           HA       TYR  70  -8.493   4.283 -17.176
  542   1HB   TYR  70          2HB       TYR  70  -8.126   5.339 -19.531
  543   2HB   TYR  70          1HB       TYR  70  -9.184   6.124 -18.382
  544    HD1  TYR  70           HD1      TYR  70  -5.534   6.266 -19.317
  545    HD2  TYR  70           HD2      TYR  70  -9.062   8.385 -18.232
  546    HE1  TYR  70           HE1      TYR  70  -4.332   8.393 -19.573
  547    HE2  TYR  70           HE2      TYR  70  -7.866  10.516 -18.487
  548    HH   TYR  70           HH       TYR  70  -5.702  11.416 -18.564
  549    H    GLY  71           H        GLY  71  -6.507   4.589 -19.802
  550   1HA   GLY  71          2HA       GLY  71  -5.128   2.152 -19.112
  551   2HA   GLY  71          1HA       GLY  71  -5.130   2.945 -20.677
  552    H    ASP  72           H        ASP  72  -4.150   5.453 -20.009
  553    HA   ASP  72           HA       ASP  72  -1.360   4.890 -19.832
  554   1HB   ASP  72          1HB       ASP  72  -2.844   7.520 -19.889
  555   2HB   ASP  72          2HB       ASP  72  -1.094   7.365 -19.985
  556    H    LEU  73           H        LEU  73  -3.773   5.809 -17.522
  557    HA   LEU  73           HA       LEU  73  -1.743   6.575 -15.567
  558   1HB   LEU  73          1HB       LEU  73  -4.576   7.152 -15.928
  559   2HB   LEU  73          2HB       LEU  73  -4.183   6.707 -14.278
  560    HG   LEU  73           HG       LEU  73  -2.736   8.887 -15.785
  561   1HD1  LEU  73          1HD1      LEU  73  -5.147   9.393 -15.543
  562   2HD1  LEU  73          2HD1      LEU  73  -4.115  10.476 -14.610
  563   3HD1  LEU  73          3HD1      LEU  73  -4.987   9.175 -13.800
  564   1HD2  LEU  73          1HD2      LEU  73  -2.443   7.616 -13.182
  565   2HD2  LEU  73          2HD2      LEU  73  -2.642   9.367 -13.065
  566   3HD2  LEU  73          3HD2      LEU  73  -1.343   8.693 -14.047
  567    H    ALA  74           H        ALA  74  -0.774   4.823 -14.860
  568    HA   ALA  74           HA       ALA  74  -1.750   3.287 -12.792
  569   1HB   ALA  74          1HB       ALA  74  -2.661   2.207 -15.260
  570   2HB   ALA  74          2HB       ALA  74  -2.858   1.556 -13.631
  571   3HB   ALA  74          3HB       ALA  74  -1.447   1.111 -14.597
  572    H    ALA  75           H        ALA  75   0.517   4.048 -15.182
  573    HA   ALA  75           HA       ALA  75   2.544   2.139 -14.662
  574   1HB   ALA  75          1HB       ALA  75   2.353   4.723 -16.084
  575   2HB   ALA  75          2HB       ALA  75   3.023   3.181 -16.616
  576   3HB   ALA  75          3HB       ALA  75   3.962   4.231 -15.555
  577    H    ARG  76           H        ARG  76   1.756   5.287 -13.287
  578    HA   ARG  76           HA       ARG  76   4.070   5.325 -11.575
  579   1HB   ARG  76          2HB       ARG  76   2.864   7.315 -10.514
  580   2HB   ARG  76          1HB       ARG  76   3.358   7.481 -12.191
  581   1HG   ARG  76          2HG       ARG  76   1.102   7.102 -12.946
  582   2HG   ARG  76          1HG       ARG  76   0.572   6.769 -11.296
  583   1HD   ARG  76          2HD       ARG  76  -0.024   9.038 -11.989
  584   2HD   ARG  76          1HD       ARG  76   1.109   9.046 -10.641
  585    HE   ARG  76           HE       ARG  76   2.574  10.187 -11.957
  586   1HH1  ARG  76          1HH1      ARG  76   0.308   8.589 -14.114
  587   2HH1  ARG  76          2HH1      ARG  76   0.989   9.301 -15.536
  588   1HH2  ARG  76          1HH2      ARG  76   3.444  11.106 -13.835
  589   2HH2  ARG  76          2HH2      ARG  76   2.761  10.723 -15.379
  590    H    LEU  77           H        LEU  77   3.997   3.485 -10.393
  591    HA   LEU  77           HA       LEU  77   1.747   2.530  -8.972
  592   1HB   LEU  77          1HB       LEU  77   4.206   1.556  -9.649
  593   2HB   LEU  77          2HB       LEU  77   4.382   1.800  -7.924
  594    HG   LEU  77           HG       LEU  77   3.696  -0.488  -8.509
  595   1HD1  LEU  77          1HD1      LEU  77   2.417  -0.760  -6.674
  596   2HD1  LEU  77          2HD1      LEU  77   1.314   0.542  -7.122
  597   3HD1  LEU  77          3HD1      LEU  77   2.886   0.921  -6.414
  598   1HD2  LEU  77          1HD2      LEU  77   1.624  -1.048  -9.458
  599   2HD2  LEU  77          2HD2      LEU  77   2.301   0.208 -10.492
  600   3HD2  LEU  77          3HD2      LEU  77   1.031   0.608  -9.333
  601    H    GLY  78           H        GLY  78   0.886   3.161  -7.108
  602   1HA   GLY  78          1HA       GLY  78   2.521   4.858  -5.312
  603   2HA   GLY  78          2HA       GLY  78   0.801   5.113  -5.577
  604    H    TYR  79           H        TYR  79   1.725   4.842  -3.006
  605    HA   TYR  79           HA       TYR  79   0.881   2.107  -2.304
  606   1HB   TYR  79          2HB       TYR  79   2.604   3.925  -0.603
  607   2HB   TYR  79          1HB       TYR  79   2.244   2.222  -0.318
  608    HD1  TYR  79           HD1      TYR  79   4.583   4.493  -1.673
  609    HD2  TYR  79           HD2      TYR  79   3.020   0.576  -2.233
  610    HE1  TYR  79           HE1      TYR  79   6.583   3.887  -2.964
  611    HE2  TYR  79           HE2      TYR  79   5.015  -0.043  -3.528
  612    HH   TYR  79           HH       TYR  79   7.705   2.228  -3.955
  613    H    PHE  80           H        PHE  80  -0.365   1.837  -0.367
  614    HA   PHE  80           HA       PHE  80  -1.683   4.154   0.771
  615   1HB   PHE  80          2HB       PHE  80  -3.975   3.205   0.231
  616   2HB   PHE  80          1HB       PHE  80  -3.099   3.885  -1.137
  617    HD1  PHE  80           HD1      PHE  80  -4.206   0.733   0.457
  618    HD2  PHE  80           HD2      PHE  80  -2.490   2.541  -2.997
  619    HE1  PHE  80           HE1      PHE  80  -4.524  -1.360  -0.795
  620    HE2  PHE  80           HE2      PHE  80  -2.806   0.449  -4.250
  621    HZ   PHE  80           HZ       PHE  80  -3.824  -1.504  -3.150
  622    HA   PRO  81           HA       PRO  81  -1.767   1.466   4.320
  623   1HB   PRO  81          2HB       PRO  81  -4.223   2.703   5.321
  624   2HB   PRO  81          1HB       PRO  81  -2.584   2.800   5.967
  625   1HG   PRO  81          2HG       PRO  81  -3.792   4.916   4.819
  626   2HG   PRO  81          1HG       PRO  81  -2.044   4.640   4.687
  627   1HD   PRO  81          2HD       PRO  81  -4.211   4.037   2.697
  628   2HD   PRO  81          1HD       PRO  81  -2.620   4.790   2.435
  629    H    SER  82           H        SER  82  -2.464  -0.545   4.649
  630    HA   SER  82           HA       SER  82  -4.558  -1.692   3.141
  631   1HB   SER  82          2HB       SER  82  -4.074  -3.740   4.394
  632   2HB   SER  82          1HB       SER  82  -2.572  -2.943   3.929
  633    HG   SER  82           HG       SER  82  -2.585  -3.640   6.127
  634    H    SER  83           H        SER  83  -4.500  -0.124   6.196
  635    HA   SER  83           HA       SER  83  -6.735  -1.314   7.431
  636   1HB   SER  83          1HB       SER  83  -5.073  -0.006   8.667
  637   2HB   SER  83          2HB       SER  83  -5.577   1.453   7.816
  638    HG   SER  83           HG       SER  83  -7.068  -0.095   9.658
  639    H    ILE  84           H        ILE  84  -6.564   1.027   4.848
  640    HA   ILE  84           HA       ILE  84  -9.351   1.790   5.340
  641    HB   ILE  84           HB       ILE  84  -9.111   3.542   3.695
  642   1HG1  ILE  84          2HG1      ILE  84  -6.178   2.959   3.456
  643   2HG1  ILE  84          1HG1      ILE  84  -7.325   2.185   2.360
  644   1HG2  ILE  84          1HG2      ILE  84  -7.194   4.798   4.874
  645   2HG2  ILE  84          2HG2      ILE  84  -7.085   3.361   5.892
  646   3HG2  ILE  84          3HG2      ILE  84  -8.586   4.284   5.829
  647   1HD1  ILE  84          1HD1      ILE  84  -6.277   4.876   2.358
  648   2HD1  ILE  84          2HD1      ILE  84  -8.040   4.846   2.315
  649   3HD1  ILE  84          3HD1      ILE  84  -7.114   3.984   1.087
  650    H    VAL  85           H        VAL  85  -7.879  -0.664   3.746
  651    HA   VAL  85           HA       VAL  85  -9.975  -0.682   1.667
  652    HB   VAL  85           HB       VAL  85  -8.559  -2.036   0.227
  653   1HG1  VAL  85          1HG1      VAL  85  -6.714  -0.317  -0.173
  654   2HG1  VAL  85          2HG1      VAL  85  -7.421   0.569   1.178
  655   3HG1  VAL  85          3HG1      VAL  85  -8.385   0.239  -0.261
  656   1HG2  VAL  85          1HG2      VAL  85  -6.045  -2.100   0.892
  657   2HG2  VAL  85          2HG2      VAL  85  -7.151  -3.313   1.541
  658   3HG2  VAL  85          3HG2      VAL  85  -6.662  -1.939   2.536
  659    H    ARG  86           H        ARG  86 -10.839  -2.747   1.061
  660    HA   ARG  86           HA       ARG  86 -10.483  -4.882   3.044
  661   1HB   ARG  86          1HB       ARG  86 -12.500  -3.534   3.626
  662   2HB   ARG  86          2HB       ARG  86 -13.179  -3.934   2.055
  663   1HG   ARG  86          1HG       ARG  86 -13.171  -6.305   2.654
  664   2HG   ARG  86          2HG       ARG  86 -12.490  -5.902   4.231
  665   1HD   ARG  86          2HD       ARG  86 -15.141  -4.927   3.180
  666   2HD   ARG  86          1HD       ARG  86 -14.930  -6.265   4.307
  667    HE   ARG  86           HE       ARG  86 -13.670  -4.005   5.374
  668   1HH1  ARG  86          1HH1      ARG  86 -16.919  -5.120   4.659
  669   2HH1  ARG  86          2HH1      ARG  86 -17.642  -4.175   5.915
  670   1HH2  ARG  86          1HH2      ARG  86 -14.638  -2.775   7.016
  671   2HH2  ARG  86          2HH2      ARG  86 -16.353  -2.848   7.249
  672    H    GLU  87           H        GLU  87  -9.667  -6.491   1.894
  673    HA   GLU  87           HA       GLU  87 -10.133  -6.864  -0.890
  674   1HB   GLU  87          1HB       GLU  87  -8.715  -8.408   1.245
  675   2HB   GLU  87          2HB       GLU  87  -9.014  -9.165  -0.313
  676   1HG   GLU  87          2HG       GLU  87  -7.814  -7.328  -1.412
  677   2HG   GLU  87          1HG       GLU  87  -7.490  -6.614   0.164
  678    H    ASP  88           H        ASP  88 -11.855  -7.713  -1.804
  679    HA   ASP  88           HA       ASP  88 -13.575  -9.504  -0.230
  680   1HB   ASP  88          2HB       ASP  88 -14.623  -7.413  -1.025
  681   2HB   ASP  88          1HB       ASP  88 -14.257  -7.870  -2.685
  682    H    GLN  89           H        GLN  89 -12.003  -9.119  -3.385
  683    HA   GLN  89           HA       GLN  89 -12.274 -12.029  -3.774
  684   1HB   GLN  89          2HB       GLN  89 -14.030 -10.735  -5.074
  685   2HB   GLN  89          1HB       GLN  89 -12.713 -10.058  -6.020
  686   1HG   GLN  89          1HG       GLN  89 -12.362 -12.856  -6.008
  687   2HG   GLN  89          2HG       GLN  89 -14.065 -12.546  -6.339
  688   1HE2  GLN  89          1HE2      GLN  89 -11.161 -12.998  -7.737
  689   2HE2  GLN  89          2HE2      GLN  89 -11.404 -12.177  -9.234
  690    H    THR  90           H        THR  90 -10.599 -13.035  -4.841
  691    HA   THR  90           HA       THR  90  -8.186 -11.411  -5.288
  692    HB   THR  90           HB       THR  90  -8.420 -14.405  -4.926
  693    HG1  THR  90           HG1      THR  90  -7.975 -12.321  -3.095
  694   1HG2  THR  90          1HG2      THR  90  -6.367 -13.846  -6.053
  695   2HG2  THR  90          2HG2      THR  90  -6.031 -14.325  -4.390
  696   3HG2  THR  90          3HG2      THR  90  -6.005 -12.619  -4.838
  697    H    LEU  91           H        LEU  91  -7.648 -10.999  -7.326
  698    HA   LEU  91           HA       LEU  91  -8.976 -12.354  -9.517
  699   1HB   LEU  91          1HB       LEU  91  -6.850 -10.246  -9.784
  700   2HB   LEU  91          2HB       LEU  91  -8.155 -10.619 -10.892
  701    HG   LEU  91           HG       LEU  91  -8.589  -9.392  -8.167
  702   1HD1  LEU  91          1HD2      LEU  91  -8.960  -7.722 -10.544
  703   2HD1  LEU  91          2HD2      LEU  91  -7.285  -8.148 -10.190
  704   3HD1  LEU  91          3HD2      LEU  91  -8.264  -7.330  -8.972
  705   1HD2  LEU  91          1HD1      LEU  91 -10.366  -9.845 -10.546
  706   2HD2  LEU  91          2HD1      LEU  91 -10.753  -8.693  -9.266
  707   3HD2  LEU  91          3HD1      LEU  91 -10.584 -10.407  -8.887
  708    H    LYS  92           H        LYS  92  -5.845 -12.319  -8.031
  709    HA   LYS  92           HA       LYS  92  -4.976 -14.587  -9.579
  710   1HB   LYS  92          2HB       LYS  92  -4.409 -12.633 -11.045
  711   2HB   LYS  92          1HB       LYS  92  -3.357 -12.034  -9.777
  712   1HG   LYS  92          2HG       LYS  92  -1.698 -13.232 -10.618
  713   2HG   LYS  92          1HG       LYS  92  -2.593 -14.703 -10.245
  714   1HD   LYS  92          1HD       LYS  92  -2.910 -13.122 -12.796
  715   2HD   LYS  92          2HD       LYS  92  -1.861 -14.526 -12.624
  716   1HE   LYS  92          2HE       LYS  92  -4.850 -14.528 -12.205
  717   2HE   LYS  92          1HE       LYS  92  -4.023 -15.088 -13.658
  718   1HZ   LYS  92          1HZ       LYS  92  -3.961 -17.065 -12.680
  719   2HZ   LYS  92          2HZ       LYS  92  -4.451 -16.444 -11.185
  720   3HZ   LYS  92          3HZ       LYS  92  -2.814 -16.436 -11.607
  721    HA   PRO  93           HA       PRO  93  -3.170 -15.509  -5.560
  722   1HB   PRO  93          1HB       PRO  93  -1.265 -17.057  -7.265
  723   2HB   PRO  93          2HB       PRO  93  -2.127 -17.565  -5.813
  724   1HG   PRO  93          1HG       PRO  93  -2.984 -18.388  -8.144
  725   2HG   PRO  93          2HG       PRO  93  -4.167 -17.754  -6.978
  726   1HD   PRO  93          1HD       PRO  93  -2.929 -16.386  -9.347
  727   2HD   PRO  93          2HD       PRO  93  -4.623 -16.424  -8.839
  728    H    GLY  94           H        GLY  94  -1.839 -14.289  -4.406
  729   1HA   GLY  94          1HA       GLY  94   0.508 -13.079  -5.712
  730   2HA   GLY  94          2HA       GLY  94  -0.288 -12.461  -4.271
  731    H    LYS  95           H        LYS  95   1.703 -15.049  -5.531
  732    HA   LYS  95           HA       LYS  95   2.835 -15.420  -2.853
  733   1HB   LYS  95          1HB       LYS  95   3.187 -17.880  -3.672
  734   2HB   LYS  95          2HB       LYS  95   1.649 -17.378  -2.984
  735   1HG   LYS  95          2HG       LYS  95   0.665 -17.183  -5.156
  736   2HG   LYS  95          1HG       LYS  95   2.223 -17.460  -5.935
  737   1HD   LYS  95          2HD       LYS  95   0.938 -19.487  -6.054
  738   2HD   LYS  95          1HD       LYS  95   2.263 -19.734  -4.919
  739   1HE   LYS  95          2HE       LYS  95   0.212 -20.703  -4.049
  740   2HE   LYS  95          1HE       LYS  95   0.713 -19.340  -3.048
  741   1HZ   LYS  95          1HZ       LYS  95  -1.697 -19.403  -3.557
  742   2HZ   LYS  95          2HZ       LYS  95  -1.334 -19.154  -5.189
  743   3HZ   LYS  95          3HZ       LYS  95  -0.942 -17.971  -4.047
  744    H    VAL  96           H        VAL  96   3.796 -13.776  -5.055
  745    HA   VAL  96           HA       VAL  96   6.351 -15.145  -5.639
  746    HB   VAL  96           HB       VAL  96   5.148 -12.844  -7.203
  747   1HG1  VAL  96          1HG1      VAL  96   7.540 -14.609  -7.704
  748   2HG1  VAL  96          2HG1      VAL  96   7.527 -12.868  -7.427
  749   3HG1  VAL  96          3HG1      VAL  96   6.841 -13.530  -8.911
  750   1HG2  VAL  96          1HG2      VAL  96   5.016 -14.807  -8.969
  751   2HG2  VAL  96          2HG2      VAL  96   3.704 -14.499  -7.831
  752   3HG2  VAL  96          3HG2      VAL  96   4.864 -15.788  -7.510
  753    H    ASP  97           H        ASP  97   8.223 -14.178  -4.975
  754    HA   ASP  97           HA       ASP  97   7.957 -11.650  -3.481
  755   1HB   ASP  97          2HB       ASP  97   8.701 -13.573  -2.147
  756   2HB   ASP  97          1HB       ASP  97  10.051 -13.825  -3.246
  757    H    VAL  98           H        VAL  98   8.571  -9.938  -4.594
  758    HA   VAL  98           HA       VAL  98  11.027 -10.093  -6.224
  759    HB   VAL  98           HB       VAL  98   8.628  -8.353  -6.873
  760   1HG1  VAL  98          1HG1      VAL  98  11.331  -8.250  -7.714
  761   2HG1  VAL  98          2HG1      VAL  98   9.969  -7.280  -8.277
  762   3HG1  VAL  98          3HG1      VAL  98  10.365  -8.797  -9.085
  763   1HG2  VAL  98          1HG2      VAL  98   9.034 -11.130  -7.406
  764   2HG2  VAL  98          2HG2      VAL  98   9.081 -10.234  -8.924
  765   3HG2  VAL  98          3HG2      VAL  98   7.679 -10.097  -7.862
  766    H    LYS  99           H        LYS  99  12.555  -8.634  -5.712
  767    HA   LYS  99           HA       LYS  99  12.096  -6.801  -3.533
  768   1HB   LYS  99          2HB       LYS  99  14.499  -6.261  -3.789
  769   2HB   LYS  99          1HB       LYS  99  14.211  -7.988  -3.636
  770   1HG   LYS  99          2HG       LYS  99  14.437  -8.194  -6.086
  771   2HG   LYS  99          1HG       LYS  99  14.817  -6.474  -6.158
  772   1HD   LYS  99          2HD       LYS  99  16.766  -6.838  -4.728
  773   2HD   LYS  99          1HD       LYS  99  16.384  -8.559  -4.644
  774   1HE   LYS  99          2HE       LYS  99  16.681  -8.742  -7.066
  775   2HE   LYS  99          1HE       LYS  99  17.061  -7.022  -7.149
  776   1HZ   LYS  99          1HZ       LYS  99  18.626  -9.050  -5.648
  777   2HZ   LYS  99          2HZ       LYS  99  19.000  -7.406  -5.779
  778   3HZ   LYS  99          3HZ       LYS  99  19.056  -8.397  -7.148
  779    H    THR 100           H        THR 100  12.792  -4.490  -3.678
  780    HA   THR 100           HA       THR 100  11.581  -3.264  -6.019
  781    HB   THR 100           HB       THR 100  11.770  -1.158  -4.736
  782    HG1  THR 100           HG1      THR 100  13.317  -2.788  -3.091
  783   1HG2  THR 100          1HG2      THR 100   9.809  -1.732  -3.899
  784   2HG2  THR 100          2HG2      THR 100  10.660  -2.423  -2.518
  785   3HG2  THR 100          3HG2      THR 100  10.247  -3.440  -3.898
  786    H    ASP 101           H        ASP 101  12.580  -1.864  -7.431
  787    HA   ASP 101           HA       ASP 101  15.508  -1.997  -7.470
  788   1HB   ASP 101          1HB       ASP 101  14.164  -2.889  -9.415
  789   2HB   ASP 101          2HB       ASP 101  13.677  -1.234  -9.750
  790    H    LYS 102           H        LYS 102  14.625   0.471  -9.551
  791    HA   LYS 102           HA       LYS 102  14.965   2.491  -7.444
  792   1HB   LYS 102          2HB       LYS 102  16.277   3.846  -9.015
  793   2HB   LYS 102          1HB       LYS 102  17.027   2.285  -8.729
  794   1HG   LYS 102          2HG       LYS 102  17.258   2.245 -10.953
  795   2HG   LYS 102          1HG       LYS 102  15.568   1.746 -10.950
  796   1HD   LYS 102          2HD       LYS 102  15.675   3.485 -12.530
  797   2HD   LYS 102          1HD       LYS 102  14.996   4.233 -11.087
  798   1HE   LYS 102          2HE       LYS 102  16.680   5.655 -12.147
  799   2HE   LYS 102          1HE       LYS 102  17.170   5.168 -10.524
  800   1HZ   LYS 102          1HZ       LYS 102  18.806   3.797 -11.337
  801   2HZ   LYS 102          2HZ       LYS 102  18.846   5.043 -12.480
  802   3HZ   LYS 102          3HZ       LYS 102  18.060   3.590 -12.842
  803    H    TRP 103           H        TRP 103  13.060   1.401 -10.043
  804    HA   TRP 103           HA       TRP 103  11.872   3.979 -10.626
  805   1HB   TRP 103          2HB       TRP 103  11.115   1.210 -11.586
  806   2HB   TRP 103          1HB       TRP 103  10.407   2.711 -12.168
  807    HD1  TRP 103           HD1      TRP 103  13.576   0.601 -12.420
  808    HE1  TRP 103           HE1      TRP 103  15.021   1.490 -14.355
  809    HE3  TRP 103           HE3      TRP 103  10.940   4.844 -13.523
  810    HZ2  TRP 103           HZ2      TRP 103  15.047   3.700 -16.107
  811    HZ3  TRP 103           HZ3      TRP 103  11.745   6.291 -15.345
  812    HH2  TRP 103           HH2      TRP 103  13.755   5.727 -16.611
  813    H    ASP 104           H        ASP 104  11.548   1.869  -8.128
  814    HA   ASP 104           HA       ASP 104   8.692   1.872  -7.822
  815   1HB   ASP 104          2HB       ASP 104  10.930   1.167  -5.911
  816   2HB   ASP 104          1HB       ASP 104   9.222   0.985  -5.528
  817    H    PHE 105           H        PHE 105  11.388   3.784  -6.632
  818    HA   PHE 105           HA       PHE 105   9.471   5.663  -5.415
  819   1HB   PHE 105          2HB       PHE 105  12.205   4.824  -4.453
  820   2HB   PHE 105          1HB       PHE 105  11.447   6.315  -3.910
  821    HD1  PHE 105           HD1      PHE 105   9.779   6.314  -2.268
  822    HD2  PHE 105           HD2      PHE 105  11.115   2.625  -3.901
  823    HE1  PHE 105           HE1      PHE 105   8.600   5.091  -0.495
  824    HE2  PHE 105           HE2      PHE 105   9.934   1.403  -2.143
  825    HZ   PHE 105           HZ       PHE 105   8.683   2.639  -0.433
  826    H    TYR 106           H        TYR 106   9.876   6.027  -7.985
  827    HA   TYR 106           HA       TYR 106  11.392   8.503  -8.103
  828   1HB   TYR 106          2HB       TYR 106  12.972   6.664  -8.743
  829   2HB   TYR 106          1HB       TYR 106  11.905   6.260 -10.074
  830    HD1  TYR 106           HD1      TYR 106  13.390   6.581 -11.850
  831    HD2  TYR 106           HD2      TYR 106  12.828   9.729  -9.039
  832    HE1  TYR 106           HE1      TYR 106  14.646   8.098 -13.309
  833    HE2  TYR 106           HE2      TYR 106  14.074  11.259 -10.494
  834    HH   TYR 106           HH       TYR 106  14.525  11.203 -13.276
  835    H    CYS 107           H        CYS 107   9.715   9.782  -8.608
  836    HA   CYS 107           HA       CYS 107   8.025   9.021 -10.901
  837   1HB   CYS 107          2HB       CYS 107   7.292  10.821  -8.595
  838   2HB   CYS 107          1HB       CYS 107   6.232  10.335  -9.910
  839    H    GLN 108           HN       GLN 108   9.262   9.995 -12.463
  840    HA   GLN 108           HA       GLN 108   9.034  12.891 -12.609
  841   1HB   GLN 108          1HB       GLN 108  11.588  11.377 -12.533
  842   2HB   GLN 108          2HB       GLN 108  11.469  12.692 -13.692
  843   1HG   GLN 108          2HG       GLN 108  10.774  14.176 -11.795
  844   2HG   GLN 108          1HG       GLN 108  11.164  12.846 -10.707
  845   1HE2  GLN 108          1HE2      GLN 108  13.034  13.164  -9.758
  846   2HE2  GLN 108          2HE2      GLN 108  14.451  13.837 -10.482
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1   6.152  15.202  -3.444
    2   2H    MET   1          2HT       MET   1   7.475  15.294  -2.393
    3   3H    MET   1          3HT       MET   1   7.232  13.905  -3.328
    4    HA   MET   1           HA       MET   1   7.785  14.978  -5.314
    5   1HB   MET   1          2HB       MET   1   6.469  17.024  -4.713
    6   2HB   MET   1          1HB       MET   1   7.818  17.555  -3.720
    7   1HG   MET   1          1HG       MET   1   7.876  18.713  -5.814
    8   2HG   MET   1          2HG       MET   1   9.241  17.601  -5.736
    9   1HE   MET   1          1HE       MET   1   8.284  17.660  -9.553
   10   2HE   MET   1          2HE       MET   1   9.585  17.888  -8.384
   11   3HE   MET   1          3HE       MET   1   8.217  19.000  -8.410
   12    H    GLY   2           H        GLY   2   9.677  13.900  -5.333
   13   1HA   GLY   2          2HA       GLY   2  12.099  14.375  -5.401
   14   2HA   GLY   2          1HA       GLY   2  11.922  15.060  -3.793
   15    HA   PRO   3           HA       PRO   3  12.928  10.481  -3.486
   16   1HB   PRO   3          2HB       PRO   3  15.603  10.826  -2.686
   17   2HB   PRO   3          1HB       PRO   3  15.026  10.256  -4.249
   18   1HG   PRO   3          1HG       PRO   3  16.347  12.684  -3.706
   19   2HG   PRO   3          2HG       PRO   3  15.629  12.169  -5.234
   20   1HD   PRO   3          1HD       PRO   3  14.602  14.045  -3.222
   21   2HD   PRO   3          2HD       PRO   3  14.203  13.892  -4.939
   22    H    MET   4           H        MET   4  12.152   9.750  -1.666
   23    HA   MET   4           HA       MET   4  13.260  10.637   0.888
   24   1HB   MET   4          2HB       MET   4  11.123  11.080   1.869
   25   2HB   MET   4          1HB       MET   4  11.159  11.949   0.347
   26   1HG   MET   4          2HG       MET   4   9.780   9.315   0.785
   27   2HG   MET   4          1HG       MET   4   8.996  10.891   0.829
   28   1HE   MET   4          1HE       MET   4  10.102   8.163  -2.374
   29   2HE   MET   4          2HE       MET   4   8.419   8.218  -1.845
   30   3HE   MET   4          3HE       MET   4   9.712   7.999  -0.659
   31    HA   PRO   5           HA       PRO   5  13.196   6.406   2.409
   32   1HB   PRO   5          2HB       PRO   5  10.586   6.734   3.809
   33   2HB   PRO   5          1HB       PRO   5  12.083   5.999   4.386
   34   1HG   PRO   5          2HG       PRO   5  11.401   8.444   5.159
   35   2HG   PRO   5          1HG       PRO   5  13.088   8.052   4.782
   36   1HD   PRO   5          1HD       PRO   5  11.107   9.619   3.204
   37   2HD   PRO   5          2HD       PRO   5  12.867   9.803   3.316
   38    H    LYS   6           H        LYS   6  12.585   4.430   1.753
   39    HA   LYS   6           HA       LYS   6  10.503   4.282  -0.264
   40   1HB   LYS   6          2HB       LYS   6  12.698   2.377   0.553
   41   2HB   LYS   6          1HB       LYS   6  11.479   1.971  -0.644
   42   1HG   LYS   6          1HG       LYS   6  13.293   2.652  -1.911
   43   2HG   LYS   6          2HG       LYS   6  12.254   4.073  -1.885
   44   1HD   LYS   6          1HD       LYS   6  14.357   4.971  -1.502
   45   2HD   LYS   6          2HD       LYS   6  13.705   4.810   0.128
   46   1HE   LYS   6          2HE       LYS   6  15.496   2.759  -1.164
   47   2HE   LYS   6          1HE       LYS   6  16.090   4.072  -0.152
   48   1HZ   LYS   6          1HZ       LYS   6  15.889   2.429   1.385
   49   2HZ   LYS   6          2HZ       LYS   6  14.591   1.676   0.605
   50   3HZ   LYS   6          3HZ       LYS   6  14.334   3.087   1.504
   51    H    LEU   7           H        LEU   7  10.642   3.759   3.006
   52    HA   LEU   7           HA       LEU   7   9.208   2.891   4.522
   53   1HB   LEU   7          2HB       LEU   7   7.555   2.126   2.115
   54   2HB   LEU   7          1HB       LEU   7   7.082   1.724   3.749
   55    HG   LEU   7           HG       LEU   7   5.812   3.601   3.235
   56   1HD1  LEU   7          1HD1      LEU   7   7.033   3.796   5.401
   57   2HD1  LEU   7          2HD1      LEU   7   6.476   5.323   4.718
   58   3HD1  LEU   7          3HD1      LEU   7   8.175   4.868   4.590
   59   1HD2  LEU   7          1HD2      LEU   7   7.064   5.741   2.385
   60   2HD2  LEU   7          2HD2      LEU   7   6.511   4.488   1.270
   61   3HD2  LEU   7          3HD2      LEU   7   8.204   4.547   1.764
   62    H    ALA   8           H        ALA   8  10.049   0.707   1.860
   63    HA   ALA   8           HA       ALA   8  10.744  -1.343   3.801
   64   1HB   ALA   8          1HB       ALA   8   8.970  -2.053   1.476
   65   2HB   ALA   8          2HB       ALA   8   8.336  -1.674   3.079
   66   3HB   ALA   8          3HB       ALA   8   9.413  -3.054   2.859
   67    H    ASP   9           H        ASP   9  11.328  -3.428   2.146
   68    HA   ASP   9           HA       ASP   9  13.230  -2.320   0.195
   69   1HB   ASP   9          1HB       ASP   9  14.752  -4.240   0.816
   70   2HB   ASP   9          2HB       ASP   9  14.561  -3.000   2.046
   71    H    ARG  10           H        ARG  10  11.251  -5.118   1.099
   72    HA   ARG  10           HA       ARG  10  11.212  -5.915  -1.743
   73   1HB   ARG  10          2HB       ARG  10  11.582  -7.566   0.698
   74   2HB   ARG  10          1HB       ARG  10  10.596  -8.249  -0.578
   75   1HG   ARG  10          1HG       ARG  10  12.748  -9.076  -0.951
   76   2HG   ARG  10          2HG       ARG  10  12.556  -7.778  -2.127
   77   1HD   ARG  10          2HD       ARG  10  13.828  -6.273  -0.701
   78   2HD   ARG  10          1HD       ARG  10  13.984  -7.537   0.516
   79    HE   ARG  10           HE       ARG  10  15.002  -8.508  -1.901
   80   1HH1  ARG  10          1HH1      ARG  10  15.800  -6.095   0.516
   81   2HH1  ARG  10          2HH1      ARG  10  17.500  -6.183   0.209
   82   1HH2  ARG  10          1HH2      ARG  10  17.236  -8.610  -2.290
   83   2HH2  ARG  10          2HH2      ARG  10  18.315  -7.605  -1.378
   84    H    LYS  11           H        LYS  11   9.265  -6.770  -2.542
   85    HA   LYS  11           HA       LYS  11   6.869  -6.295  -0.904
   86   1HB   LYS  11          2HB       LYS  11   5.751  -5.442  -2.956
   87   2HB   LYS  11          1HB       LYS  11   7.093  -4.433  -2.434
   88   1HG   LYS  11          1HG       LYS  11   8.497  -5.729  -4.131
   89   2HG   LYS  11          2HG       LYS  11   6.956  -6.298  -4.777
   90   1HD   LYS  11          2HD       LYS  11   6.251  -4.008  -5.164
   91   2HD   LYS  11          1HD       LYS  11   7.753  -3.412  -4.456
   92   1HE   LYS  11          2HE       LYS  11   7.934  -3.337  -6.856
   93   2HE   LYS  11          1HE       LYS  11   9.009  -4.587  -6.235
   94   1HZ   LYS  11          1HZ       LYS  11   7.730  -5.257  -8.224
   95   2HZ   LYS  11          2HZ       LYS  11   6.302  -5.120  -7.327
   96   3HZ   LYS  11          3HZ       LYS  11   7.468  -6.266  -6.891
   97    H    LEU  12           H        LEU  12   4.876  -7.319  -2.063
   98    HA   LEU  12           HA       LEU  12   5.643  -9.949  -3.150
   99   1HB   LEU  12          2HB       LEU  12   3.421  -9.315  -1.205
  100   2HB   LEU  12          1HB       LEU  12   3.608 -10.859  -2.010
  101    HG   LEU  12           HG       LEU  12   5.659  -9.670  -0.136
  102   1HD1  LEU  12          1HD1      LEU  12   4.650 -10.637   1.622
  103   2HD1  LEU  12          2HD1      LEU  12   4.142 -12.044   0.686
  104   3HD1  LEU  12          3HD1      LEU  12   3.206 -10.551   0.613
  105   1HD2  LEU  12          1HD2      LEU  12   5.447 -12.239  -1.650
  106   2HD2  LEU  12          2HD2      LEU  12   6.278 -12.202  -0.095
  107   3HD2  LEU  12          3HD2      LEU  12   6.842 -11.184  -1.420
  108    H    CYS  13           H        CYS  13   4.916 -10.282  -5.119
  109    HA   CYS  13           HA       CYS  13   2.415  -8.984  -5.978
  110   1HB   CYS  13          2HB       CYS  13   4.880  -9.530  -7.648
  111   2HB   CYS  13          1HB       CYS  13   3.380  -8.828  -8.241
  112    H    ALA  14           H        ALA  14   1.637 -10.126  -8.118
  113    HA   ALA  14           HA       ALA  14   1.149 -12.881  -7.422
  114   1HB   ALA  14          1HB       ALA  14  -0.187 -12.753  -9.652
  115   2HB   ALA  14          2HB       ALA  14   0.103 -11.018  -9.514
  116   3HB   ALA  14          3HB       ALA  14  -0.764 -11.870  -8.237
  117    H    ASP  15           H        ASP  15   2.811 -11.125  -9.998
  118    HA   ASP  15           HA       ASP  15   4.119 -13.642 -10.807
  119   1HB   ASP  15          2HB       ASP  15   3.144 -11.372 -12.548
  120   2HB   ASP  15          1HB       ASP  15   4.309 -12.564 -13.110
  121    H    GLN  16           H        GLN  16   6.191 -13.117 -12.111
  122    HA   GLN  16           HA       GLN  16   7.956 -11.674 -10.412
  123   1HB   GLN  16          2HB       GLN  16   8.553 -13.691 -11.789
  124   2HB   GLN  16          1HB       GLN  16   8.485 -12.673 -13.219
  125   1HG   GLN  16          2HG       GLN  16  10.298 -11.298 -12.328
  126   2HG   GLN  16          1HG       GLN  16  10.363 -12.318 -10.892
  127   1HE2  GLN  16          1HE2      GLN  16  11.936 -13.743 -10.925
  128   2HE2  GLN  16          2HE2      GLN  16  12.601 -14.503 -12.326
  129    H    GLU  17           H        GLU  17   6.023 -10.802 -13.106
  130    HA   GLU  17           HA       GLU  17   7.540  -8.403 -13.751
  131   1HB   GLU  17          2HB       GLU  17   4.987  -9.595 -14.846
  132   2HB   GLU  17          1HB       GLU  17   5.561  -8.011 -15.333
  133   1HG   GLU  17          1HG       GLU  17   6.249  -9.535 -17.000
  134   2HG   GLU  17          2HG       GLU  17   7.690  -9.115 -16.077
  135    H    CYS  18           H        CYS  18   5.024  -9.396 -11.674
  136    HA   CYS  18           HA       CYS  18   3.573  -8.361 -10.275
  137   1HB   CYS  18          1HB       CYS  18   5.790  -7.283  -9.587
  138   2HB   CYS  18          2HB       CYS  18   5.286  -5.883 -10.530
  139    H    SER  19           H        SER  19   3.165  -8.271 -13.111
  140    HA   SER  19           HA       SER  19   1.822  -5.747 -13.631
  141   1HB   SER  19          2HB       SER  19   3.251  -6.637 -15.377
  142   2HB   SER  19          1HB       SER  19   2.350  -8.140 -15.371
  143    HG   SER  19           HG       SER  19   1.856  -6.320 -16.982
  144    H    HIS  20           H        HIS  20   1.099  -8.669 -12.243
  145    HA   HIS  20           HA       HIS  20  -1.688  -8.718 -13.141
  146   1HB   HIS  20          2HB       HIS  20   0.157 -10.698 -11.914
  147   2HB   HIS  20          1HB       HIS  20  -1.544 -10.836 -11.504
  148    HD1  HIS  20           HD1      HIS  20  -0.930 -13.197 -12.778
  149    HD2  HIS  20           HD2      HIS  20  -1.418  -9.815 -15.138
  150    HE1  HIS  20           HE1      HIS  20  -1.483 -14.059 -15.058
  151    HE2  HIS  20           HE2      HIS  20  -1.838 -11.996 -16.469
  152    HA   PRO  21           HA       PRO  21  -2.919  -7.086  -9.156
  153   1HB   PRO  21          1HB       PRO  21  -5.624  -7.357  -9.477
  154   2HB   PRO  21          2HB       PRO  21  -4.661  -6.095 -10.253
  155   1HG   PRO  21          1HG       PRO  21  -6.004  -8.359 -11.461
  156   2HG   PRO  21          2HG       PRO  21  -5.204  -6.993 -12.251
  157   1HD   PRO  21          1HD       PRO  21  -4.205  -9.709 -11.775
  158   2HD   PRO  21          2HD       PRO  21  -3.589  -8.448 -12.870
  159    H    ILE  22           H        ILE  22  -2.777  -8.090  -7.245
  160    HA   ILE  22           HA       ILE  22  -3.327 -10.846  -6.907
  161    HB   ILE  22           HB       ILE  22  -2.900  -8.779  -4.737
  162   1HG1  ILE  22          2HG1      ILE  22  -0.850 -10.633  -5.974
  163   2HG1  ILE  22          1HG1      ILE  22  -1.078  -8.965  -6.499
  164   1HG2  ILE  22          1HG2      ILE  22  -2.001 -11.512  -4.239
  165   2HG2  ILE  22          2HG2      ILE  22  -3.746 -11.400  -4.484
  166   3HG2  ILE  22          3HG2      ILE  22  -2.967 -10.437  -3.227
  167   1HD1  ILE  22          1HD1      ILE  22  -0.662  -8.355  -4.039
  168   2HD1  ILE  22          2HD1      ILE  22   0.710  -8.845  -5.033
  169   3HD1  ILE  22          3HD1      ILE  22  -0.011  -9.989  -3.900
  170    H    SER  23           H        SER  23  -4.860  -8.075  -5.215
  171    HA   SER  23           HA       SER  23  -7.415  -9.503  -5.400
  172   1HB   SER  23          2HB       SER  23  -6.541 -10.076  -3.210
  173   2HB   SER  23          1HB       SER  23  -6.237  -8.379  -2.848
  174    HG   SER  23           HG       SER  23  -8.476  -9.783  -2.492
  175    H    MET  24           H        MET  24  -9.155  -8.287  -5.697
  176    HA   MET  24           HA       MET  24  -8.821  -5.425  -6.115
  177   1HB   MET  24          2HB       MET  24  -9.952  -6.912  -7.788
  178   2HB   MET  24          1HB       MET  24 -11.238  -7.166  -6.622
  179   1HG   MET  24          2HG       MET  24 -10.507  -4.389  -7.396
  180   2HG   MET  24          1HG       MET  24 -11.438  -5.379  -8.509
  181   1HE   MET  24          1HE       MET  24 -13.391  -6.657  -7.911
  182   2HE   MET  24          2HE       MET  24 -14.766  -5.831  -7.176
  183   3HE   MET  24          3HE       MET  24 -13.767  -6.915  -6.207
  184    H    ALA  25           H        ALA  25  -9.229  -4.090  -4.482
  185    HA   ALA  25           HA       ALA  25 -11.131  -4.970  -2.405
  186   1HB   ALA  25          1HB       ALA  25  -8.975  -4.939  -1.448
  187   2HB   ALA  25          2HB       ALA  25  -9.796  -3.490  -0.867
  188   3HB   ALA  25          3HB       ALA  25  -8.601  -3.369  -2.159
  189    H    VAL  26           H        VAL  26 -12.459  -3.481  -1.402
  190    HA   VAL  26           HA       VAL  26 -13.035  -1.073  -3.012
  191    HB   VAL  26           HB       VAL  26 -14.837  -2.461  -1.004
  192   1HG1  VAL  26          1HG2      VAL  26 -15.014   0.067  -2.400
  193   2HG1  VAL  26          2HG2      VAL  26 -16.034  -0.584  -1.117
  194   3HG1  VAL  26          3HG2      VAL  26 -16.369  -0.988  -2.800
  195   1HG2  VAL  26          1HG1      VAL  26 -14.124  -3.400  -3.498
  196   2HG2  VAL  26          2HG1      VAL  26 -15.646  -2.561  -3.796
  197   3HG2  VAL  26          3HG1      VAL  26 -15.570  -3.848  -2.594
  198    H    ALA  27           H        ALA  27 -12.858   0.928  -2.149
  199    HA   ALA  27           HA       ALA  27 -11.489   1.306   0.318
  200   1HB   ALA  27          1HB       ALA  27 -11.088   3.363  -0.448
  201   2HB   ALA  27          2HB       ALA  27 -12.788   3.666  -0.806
  202   3HB   ALA  27          3HB       ALA  27 -11.791   2.772  -1.954
  203    H    LEU  28           H        LEU  28 -12.184   1.836   2.295
  204    HA   LEU  28           HA       LEU  28 -15.079   1.950   2.739
  205   1HB   LEU  28          2HB       LEU  28 -12.819   1.432   4.669
  206   2HB   LEU  28          1HB       LEU  28 -14.515   1.463   5.102
  207    HG   LEU  28           HG       LEU  28 -13.330  -0.498   3.136
  208   1HD1  LEU  28          1HD2      LEU  28 -13.076  -0.410   5.972
  209   2HD1  LEU  28          2HD2      LEU  28 -12.504  -1.639   4.844
  210   3HD1  LEU  28          3HD2      LEU  28 -14.123  -1.760   5.534
  211   1HD2  LEU  28          1HD1      LEU  28 -15.592  -1.594   4.241
  212   2HD2  LEU  28          2HD1      LEU  28 -15.489  -0.823   2.657
  213   3HD2  LEU  28          3HD1      LEU  28 -16.031   0.104   4.056
  214    H    GLN  29           H        GLN  29 -12.327   4.010   2.763
  215    HA   GLN  29           HA       GLN  29 -13.961   6.176   3.795
  216   1HB   GLN  29          1HB       GLN  29 -12.317   6.884   5.484
  217   2HB   GLN  29          2HB       GLN  29 -12.996   5.304   5.847
  218   1HG   GLN  29          2HG       GLN  29 -10.998   4.209   5.089
  219   2HG   GLN  29          1HG       GLN  29 -10.323   5.740   4.534
  220   1HE2  GLN  29          1HE2      GLN  29  -8.981   6.716   5.857
  221   2HE2  GLN  29          2HE2      GLN  29  -8.881   6.483   7.565
  222    H    ASP  30           H        ASP  30 -12.353   8.223   4.024
  223    HA   ASP  30           HA       ASP  30 -11.270   8.599   1.344
  224   1HB   ASP  30          1HB       ASP  30 -11.798  10.575   3.574
  225   2HB   ASP  30          2HB       ASP  30 -11.228  11.000   1.964
  226    H    TYR  31           H        TYR  31  -9.215   9.507   0.946
  227    HA   TYR  31           HA       TYR  31  -7.288   9.729   3.093
  228   1HB   TYR  31          2HB       TYR  31  -7.383   7.257   2.224
  229   2HB   TYR  31          1HB       TYR  31  -6.542   7.907   0.822
  230    HD1  TYR  31           HD1      TYR  31  -4.231   8.419   0.900
  231    HD2  TYR  31           HD2      TYR  31  -6.286   7.440   4.495
  232    HE1  TYR  31           HE1      TYR  31  -2.087   8.277   2.088
  233    HE2  TYR  31           HE2      TYR  31  -4.147   7.304   5.690
  234    HH   TYR  31           HH       TYR  31  -1.339   8.555   4.581
  235    H    MET  32           H        MET  32  -5.749  11.220   2.638
  236    HA   MET  32           HA       MET  32  -5.729  12.364  -0.078
  237   1HB   MET  32          2HB       MET  32  -4.973  13.606   2.572
  238   2HB   MET  32          1HB       MET  32  -4.788  14.402   1.016
  239   1HG   MET  32          1HG       MET  32  -7.222  14.236   0.683
  240   2HG   MET  32          2HG       MET  32  -7.359  13.508   2.281
  241   1HE   MET  32          1HE       MET  32  -5.156  16.408   0.902
  242   2HE   MET  32          2HE       MET  32  -5.940  17.843   1.563
  243   3HE   MET  32          3HE       MET  32  -6.735  16.909   0.296
  244    H    ALA  33           H        ALA  33  -3.893  12.358  -1.261
  245    HA   ALA  33           HA       ALA  33  -1.586  10.968  -0.150
  246   1HB   ALA  33          1HB       ALA  33  -2.783  10.659  -2.496
  247   2HB   ALA  33          2HB       ALA  33  -1.064  10.344  -2.258
  248   3HB   ALA  33          3HB       ALA  33  -1.591  11.871  -2.963
  249    HA   PRO  34           HA       PRO  34   0.504  14.972   0.244
  250   1HB   PRO  34          2HB       PRO  34   2.632  13.617   1.637
  251   2HB   PRO  34          1HB       PRO  34   1.413  14.706   2.298
  252   1HG   PRO  34          2HG       PRO  34   1.541  12.038   2.868
  253   2HG   PRO  34          1HG       PRO  34   0.041  12.986   2.925
  254   1HD   PRO  34          2HD       PRO  34   1.057  11.168   0.767
  255   2HD   PRO  34          1HD       PRO  34  -0.585  11.335   1.421
  256    H    ASP  35           H        ASP  35   2.671  12.147  -0.066
  257    HA   ASP  35           HA       ASP  35   4.348  13.570  -1.979
  258   1HB   ASP  35          2HB       ASP  35   5.211  12.198   0.007
  259   2HB   ASP  35          1HB       ASP  35   4.760  10.779  -0.925
  260    H    CYS  36           H        CYS  36   5.119  12.329  -3.913
  261    HA   CYS  36           HA       CYS  36   2.974  11.621  -5.595
  262   1HB   CYS  36          2HB       CYS  36   5.888  10.934  -6.002
  263   2HB   CYS  36          1HB       CYS  36   4.651  11.062  -7.245
  264    H    ARG  37           H        ARG  37   4.999   9.723  -3.497
  265    HA   ARG  37           HA       ARG  37   4.598   7.198  -4.701
  266   1HB   ARG  37          2HB       ARG  37   5.288   6.287  -2.447
  267   2HB   ARG  37          1HB       ARG  37   6.431   7.371  -3.226
  268   1HG   ARG  37          2HG       ARG  37   6.013   9.096  -1.721
  269   2HG   ARG  37          1HG       ARG  37   4.482   8.394  -1.195
  270   1HD   ARG  37          2HD       ARG  37   5.505   6.832   0.157
  271   2HD   ARG  37          1HD       ARG  37   7.009   6.870  -0.759
  272    HE   ARG  37           HE       ARG  37   7.762   8.452   0.680
  273   1HH1  ARG  37          1HH1      ARG  37   4.256   8.591   0.827
  274   2HH1  ARG  37          2HH1      ARG  37   4.247   9.793   2.071
  275   1HH2  ARG  37          1HH2      ARG  37   7.718  10.022   2.303
  276   2HH2  ARG  37          2HH2      ARG  37   6.202  10.604   2.904
  277    H    PHE  38           H        PHE  38   2.524   9.090  -2.661
  278    HA   PHE  38           HA       PHE  38   0.896   6.731  -2.053
  279   1HB   PHE  38          2HB       PHE  38   1.147   9.441  -0.851
  280   2HB   PHE  38          1HB       PHE  38  -0.404   8.626  -0.714
  281    HD1  PHE  38           HD1      PHE  38  -0.479   8.246   1.582
  282    HD2  PHE  38           HD2      PHE  38   2.951   6.984  -0.598
  283    HE1  PHE  38           HE1      PHE  38   0.317   7.010   3.550
  284    HE2  PHE  38           HE2      PHE  38   3.750   5.745   1.369
  285    HZ   PHE  38           HZ       PHE  38   2.432   5.757   3.447
  286    H    LEU  39           H        LEU  39  -1.437   6.841  -2.237
  287    HA   LEU  39           HA       LEU  39  -2.292   8.322  -4.647
  288   1HB   LEU  39          1HB       LEU  39  -3.138   5.640  -3.563
  289   2HB   LEU  39          2HB       LEU  39  -4.028   6.478  -4.817
  290    HG   LEU  39           HG       LEU  39  -1.124   5.744  -5.143
  291   1HD1  LEU  39          1HD1      LEU  39  -1.623   3.632  -5.739
  292   2HD1  LEU  39          2HD1      LEU  39  -3.155   4.095  -6.480
  293   3HD1  LEU  39          3HD1      LEU  39  -3.051   3.878  -4.733
  294   1HD2  LEU  39          1HD2      LEU  39  -2.169   7.465  -6.637
  295   2HD2  LEU  39          2HD2      LEU  39  -3.287   6.214  -7.187
  296   3HD2  LEU  39          3HD2      LEU  39  -1.556   6.038  -7.474
  297    H    THR  40           H        THR  40  -4.217   9.414  -4.661
  298    HA   THR  40           HA       THR  40  -5.478   9.898  -2.068
  299    HB   THR  40           HB       THR  40  -5.905  11.245  -4.756
  300    HG1  THR  40           HG1      THR  40  -4.713  12.916  -3.845
  301   1HG2  THR  40          1HG2      THR  40  -6.867  12.157  -2.053
  302   2HG2  THR  40          2HG2      THR  40  -7.888  11.442  -3.302
  303   3HG2  THR  40          3HG2      THR  40  -7.087  12.986  -3.596
  304    H    ILE  41           H        ILE  41  -7.124   8.652  -1.495
  305    HA   ILE  41           HA       ILE  41  -8.856   7.532  -3.611
  306    HB   ILE  41           HB       ILE  41  -7.923   6.250  -1.030
  307   1HG1  ILE  41          1HG1      ILE  41  -7.683   5.195  -3.846
  308   2HG1  ILE  41          2HG1      ILE  41  -6.473   6.282  -3.163
  309   1HG2  ILE  41          1HG2      ILE  41 -10.245   5.628  -2.763
  310   2HG2  ILE  41          2HG2      ILE  41  -9.994   5.317  -1.045
  311   3HG2  ILE  41          3HG2      ILE  41  -9.257   4.261  -2.249
  312   1HD1  ILE  41          1HD1      ILE  41  -6.534   4.448  -1.224
  313   2HD1  ILE  41          2HD1      ILE  41  -5.486   4.323  -2.639
  314   3HD1  ILE  41          3HD1      ILE  41  -7.013   3.439  -2.588
  315    H    HIS  42           H        HIS  42 -11.016   7.651  -3.390
  316    HA   HIS  42           HA       HIS  42 -12.065   9.121  -1.080
  317   1HB   HIS  42          2HB       HIS  42 -13.245   8.649  -3.828
  318   2HB   HIS  42          1HB       HIS  42 -14.083   9.478  -2.521
  319    HD1  HIS  42           HD1      HIS  42 -12.384  11.566  -1.526
  320    HD2  HIS  42           HD2      HIS  42 -12.157  10.439  -5.518
  321    HE1  HIS  42           HE1      HIS  42 -11.348  13.523  -2.720
  322    HE2  HIS  42           HE2      HIS  42 -11.306  12.851  -5.147
  323    H    ARG  43           H        ARG  43 -14.078   8.403  -0.137
  324    HA   ARG  43           HA       ARG  43 -14.090   5.669   0.501
  325   1HB   ARG  43          2HB       ARG  43 -14.931   7.456   1.981
  326   2HB   ARG  43          1HB       ARG  43 -16.281   7.718   0.895
  327   1HG   ARG  43          1HG       ARG  43 -17.067   5.441   1.352
  328   2HG   ARG  43          2HG       ARG  43 -15.716   5.215   2.466
  329   1HD   ARG  43          2HD       ARG  43 -16.545   7.123   3.798
  330   2HD   ARG  43          1HD       ARG  43 -17.935   7.242   2.718
  331    HE   ARG  43           HE       ARG  43 -17.770   4.627   3.708
  332   1HH1  ARG  43          1HH1      ARG  43 -18.526   7.857   4.849
  333   2HH1  ARG  43          2HH1      ARG  43 -19.572   7.291   6.106
  334   1HH2  ARG  43          1HH2      ARG  43 -19.146   3.906   5.363
  335   2HH2  ARG  43          2HH2      ARG  43 -19.924   5.057   6.398
  336    H    GLY  44           H        GLY  44 -14.654   4.038  -0.788
  337   1HA   GLY  44          2HA       GLY  44 -16.439   2.792  -1.795
  338   2HA   GLY  44          1HA       GLY  44 -17.131   4.302  -2.357
  339    H    GLN  45           H        GLN  45 -13.819   4.425  -2.953
  340    HA   GLN  45           HA       GLN  45 -14.296   3.983  -5.770
  341   1HB   GLN  45          1HB       GLN  45 -11.796   4.839  -4.296
  342   2HB   GLN  45          2HB       GLN  45 -11.899   4.650  -6.041
  343   1HG   GLN  45          1HG       GLN  45 -13.864   6.301  -5.900
  344   2HG   GLN  45          2HG       GLN  45 -13.230   6.676  -4.297
  345   1HE2  GLN  45          1HE2      GLN  45 -13.258   7.736  -7.330
  346   2HE2  GLN  45          2HE2      GLN  45 -11.714   8.510  -7.420
  347    H    VAL  46           H        VAL  46 -13.314   2.504  -7.105
  348    HA   VAL  46           HA       VAL  46 -12.641  -0.036  -5.870
  349    HB   VAL  46           HB       VAL  46 -12.579   0.573  -8.829
  350   1HG1  VAL  46          1HG1      VAL  46 -13.433  -1.908  -8.753
  351   2HG1  VAL  46          2HG1      VAL  46 -12.672  -1.889  -7.162
  352   3HG1  VAL  46          3HG1      VAL  46 -11.716  -1.531  -8.600
  353   1HG2  VAL  46          1HG2      VAL  46 -14.834   0.914  -7.245
  354   2HG2  VAL  46          2HG2      VAL  46 -15.032  -0.685  -7.962
  355   3HG2  VAL  46          3HG2      VAL  46 -14.786   0.721  -8.999
  356    H    VAL  47           H        VAL  47 -10.585  -0.456  -5.271
  357    HA   VAL  47           HA       VAL  47  -8.413   0.629  -6.950
  358    HB   VAL  47           HB       VAL  47  -8.101   0.180  -3.984
  359   1HG1  VAL  47          1HG1      VAL  47  -6.163   1.635  -4.239
  360   2HG1  VAL  47          2HG1      VAL  47  -6.525   1.834  -5.955
  361   3HG1  VAL  47          3HG1      VAL  47  -6.058   0.252  -5.329
  362   1HG2  VAL  47          1HG2      VAL  47  -8.130   2.917  -4.328
  363   2HG2  VAL  47          2HG2      VAL  47  -9.419   1.948  -3.614
  364   3HG2  VAL  47          3HG2      VAL  47  -9.478   2.366  -5.326
  365    H    TYR  48           H        TYR  48  -7.088  -0.839  -7.778
  366    HA   TYR  48           HA       TYR  48  -7.300  -3.605  -6.893
  367   1HB   TYR  48          2HB       TYR  48  -6.001  -2.371  -9.329
  368   2HB   TYR  48          1HB       TYR  48  -5.887  -4.076  -8.940
  369    HD1  TYR  48           HD1      TYR  48  -7.286  -5.459 -10.098
  370    HD2  TYR  48           HD2      TYR  48  -8.614  -1.501  -9.275
  371    HE1  TYR  48           HE1      TYR  48  -9.357  -5.899 -11.345
  372    HE2  TYR  48           HE2      TYR  48 -10.690  -1.936 -10.513
  373    HH   TYR  48           HH       TYR  48 -11.919  -4.681 -11.143
  374    H    VAL  49           H        VAL  49  -5.669  -4.758  -5.969
  375    HA   VAL  49           HA       VAL  49  -3.292  -3.250  -5.139
  376    HB   VAL  49           HB       VAL  49  -4.233  -5.950  -4.142
  377   1HG1  VAL  49          1HG1      VAL  49  -1.814  -4.505  -3.753
  378   2HG1  VAL  49          2HG1      VAL  49  -2.310  -6.040  -3.039
  379   3HG1  VAL  49          3HG1      VAL  49  -2.701  -4.523  -2.228
  380   1HG2  VAL  49          1HG2      VAL  49  -5.554  -3.591  -3.750
  381   2HG2  VAL  49          2HG2      VAL  49  -4.494  -3.657  -2.343
  382   3HG2  VAL  49          3HG2      VAL  49  -5.614  -4.981  -2.667
  383    H    PHE  50           H        PHE  50  -1.293  -3.725  -5.864
  384    HA   PHE  50           HA       PHE  50  -0.982  -6.088  -7.593
  385   1HB   PHE  50          1HB       PHE  50   0.172  -3.317  -7.833
  386   2HB   PHE  50          2HB       PHE  50   0.924  -4.690  -8.634
  387    HD1  PHE  50           HD1      PHE  50  -2.366  -2.939  -8.353
  388    HD2  PHE  50           HD2      PHE  50   0.254  -5.291 -10.747
  389    HE1  PHE  50           HE1      PHE  50  -3.892  -2.688 -10.266
  390    HE2  PHE  50           HE2      PHE  50  -1.269  -5.042 -12.663
  391    HZ   PHE  50           HZ       PHE  50  -3.343  -3.739 -12.423
  392    H    SER  51           H        SER  51   0.576  -4.066  -5.131
  393    HA   SER  51           HA       SER  51   2.397  -6.301  -4.558
  394   1HB   SER  51          2HB       SER  51   4.236  -4.677  -4.145
  395   2HB   SER  51          1HB       SER  51   3.718  -4.715  -5.827
  396    HG   SER  51           HG       SER  51   4.004  -2.578  -4.758
  397    H    LYS  52           H        LYS  52   3.085  -6.537  -2.439
  398    HA   LYS  52           HA       LYS  52   1.798  -4.808  -0.420
  399   1HB   LYS  52          2HB       LYS  52   2.246  -7.763  -0.002
  400   2HB   LYS  52          1HB       LYS  52   1.283  -6.671   0.966
  401   1HG   LYS  52          1HG       LYS  52  -0.370  -6.503  -0.783
  402   2HG   LYS  52          2HG       LYS  52   0.615  -7.510  -1.846
  403   1HD   LYS  52          1HD       LYS  52   0.400  -9.379  -0.291
  404   2HD   LYS  52          2HD       LYS  52  -0.561  -8.374   0.795
  405   1HE   LYS  52          2HE       LYS  52  -2.267  -8.127  -0.941
  406   2HE   LYS  52          1HE       LYS  52  -1.305  -9.134  -2.027
  407   1HZ   LYS  52          1HZ       LYS  52  -3.054  -9.910   0.109
  408   2HZ   LYS  52          2HZ       LYS  52  -1.539 -10.658   0.206
  409   3HZ   LYS  52          3HZ       LYS  52  -2.472 -10.819  -1.195
  410    H    LEU  53           H        LEU  53   3.386  -3.728   0.589
  411    HA   LEU  53           HA       LEU  53   6.109  -4.546   0.527
  412   1HB   LEU  53          1HB       LEU  53   4.881  -2.467   2.336
  413   2HB   LEU  53          2HB       LEU  53   6.566  -2.593   1.860
  414    HG   LEU  53           HG       LEU  53   4.309  -1.988  -0.060
  415   1HD1  LEU  53          1HD2      LEU  53   6.266   0.092   0.689
  416   2HD1  LEU  53          2HD2      LEU  53   5.040  -0.314   1.890
  417   3HD1  LEU  53          3HD2      LEU  53   4.555   0.230   0.284
  418   1HD2  LEU  53          1HD1      LEU  53   7.160  -2.518  -0.381
  419   2HD2  LEU  53          2HD1      LEU  53   6.639  -1.002  -1.118
  420   3HD2  LEU  53          3HD1      LEU  53   5.861  -2.520  -1.578
  421    H    LYS  54           H        LYS  54   7.467  -5.292   2.132
  422    HA   LYS  54           HA       LYS  54   6.143  -6.459   4.504
  423   1HB   LYS  54          1HB       LYS  54   8.544  -7.468   2.961
  424   2HB   LYS  54          2HB       LYS  54   7.959  -8.168   4.461
  425   1HG   LYS  54          2HG       LYS  54   5.871  -8.772   3.387
  426   2HG   LYS  54          1HG       LYS  54   6.408  -8.012   1.887
  427   1HD   LYS  54          1HD       LYS  54   6.811 -10.319   1.615
  428   2HD   LYS  54          2HD       LYS  54   8.382  -9.599   1.948
  429   1HE   LYS  54          1HE       LYS  54   8.210 -10.296   4.286
  430   2HE   LYS  54          2HE       LYS  54   6.634 -11.016   3.958
  431   1HZ   LYS  54          1HZ       LYS  54   8.465 -12.639   3.964
  432   2HZ   LYS  54          2HZ       LYS  54   9.163 -11.846   2.644
  433   3HZ   LYS  54          3HZ       LYS  54   7.651 -12.585   2.482
  434    H    GLY  55           H        GLY  55   8.129  -7.101   6.131
  435   1HA   GLY  55          2HA       GLY  55   9.944  -6.367   7.396
  436   2HA   GLY  55          1HA       GLY  55  10.086  -4.970   6.343
  437    H    ARG  56           H        ARG  56   9.883  -3.177   7.481
  438    HA   ARG  56           HA       ARG  56   8.393  -3.082   9.936
  439   1HB   ARG  56          2HB       ARG  56   9.106  -0.702  10.000
  440   2HB   ARG  56          1HB       ARG  56  10.443  -1.825   9.806
  441   1HG   ARG  56          2HG       ARG  56  10.509  -1.325   7.412
  442   2HG   ARG  56          1HG       ARG  56   9.178  -0.184   7.623
  443   1HD   ARG  56          2HD       ARG  56  10.564   1.117   9.182
  444   2HD   ARG  56          1HD       ARG  56  11.894  -0.008   8.921
  445    HE   ARG  56           HE       ARG  56  11.107   2.145   7.228
  446   1HH1  ARG  56          1HH1      ARG  56  12.614  -1.025   7.183
  447   2HH1  ARG  56          2HH1      ARG  56  13.442  -0.735   5.691
  448   1HH2  ARG  56          1HH2      ARG  56  12.205   2.504   5.276
  449   2HH2  ARG  56          2HH2      ARG  56  13.212   1.259   4.613
  450    H    GLY  57           H        GLY  57   7.595  -2.683   6.687
  451   1HA   GLY  57          1HA       GLY  57   5.169  -1.152   7.397
  452   2HA   GLY  57          2HA       GLY  57   5.970  -1.018   5.838
  453    H    ARG  58           H        ARG  58   4.922  -3.747   7.880
  454    HA   ARG  58           HA       ARG  58   4.134  -5.320   5.644
  455   1HB   ARG  58          1HB       ARG  58   3.242  -6.898   7.318
  456   2HB   ARG  58          2HB       ARG  58   4.890  -6.410   7.671
  457   1HG   ARG  58          1HG       ARG  58   2.861  -4.763   8.985
  458   2HG   ARG  58          2HG       ARG  58   2.838  -6.460   9.463
  459   1HD   ARG  58          2HD       ARG  58   5.306  -4.732   9.463
  460   2HD   ARG  58          1HD       ARG  58   4.295  -5.015  10.880
  461    HE   ARG  58           HE       ARG  58   5.063  -7.486   9.780
  462   1HH1  ARG  58          1HH1      ARG  58   6.468  -4.788  11.527
  463   2HH1  ARG  58          2HH1      ARG  58   7.706  -5.756  12.255
  464   1HH2  ARG  58          1HH2      ARG  58   6.692  -8.737  10.744
  465   2HH2  ARG  58          2HH2      ARG  58   7.833  -7.990  11.812
  466    H    LEU  59           H        LEU  59   2.584  -2.825   7.347
  467    HA   LEU  59           HA       LEU  59  -0.077  -3.729   6.527
  468   1HB   LEU  59          1HB       LEU  59  -0.973  -1.954   7.954
  469   2HB   LEU  59          2HB       LEU  59   0.065  -3.043   8.847
  470    HG   LEU  59           HG       LEU  59   1.220  -0.490   7.807
  471   1HD1  LEU  59          1HD2      LEU  59   0.457   0.147  10.358
  472   2HD1  LEU  59          2HD2      LEU  59  -0.958  -0.700   9.733
  473   3HD1  LEU  59          3HD2      LEU  59  -0.326   0.708   8.880
  474   1HD2  LEU  59          1HD1      LEU  59   2.250  -2.561   9.254
  475   2HD2  LEU  59          2HD1      LEU  59   1.812  -1.411  10.518
  476   3HD2  LEU  59          3HD1      LEU  59   2.901  -0.922   9.219
  477    H    PHE  60           H        PHE  60   2.315  -2.268   5.047
  478    HA   PHE  60           HA       PHE  60   0.667  -0.187   3.779
  479   1HB   PHE  60          2HB       PHE  60   3.655  -0.521   4.003
  480   2HB   PHE  60          1HB       PHE  60   2.942   0.527   2.784
  481    HD1  PHE  60           HD1      PHE  60   2.887  -0.063   6.477
  482    HD2  PHE  60           HD2      PHE  60   2.556   2.734   3.287
  483    HE1  PHE  60           HE1      PHE  60   2.778   1.776   8.107
  484    HE2  PHE  60           HE2      PHE  60   2.444   4.577   4.912
  485    HZ   PHE  60           HZ       PHE  60   2.557   4.100   7.324
  486    H    TRP  61           H        TRP  61  -0.196  -0.658   1.906
  487    HA   TRP  61           HA       TRP  61   1.023  -2.757   0.238
  488   1HB   TRP  61          2HB       TRP  61  -1.836  -1.939   0.703
  489   2HB   TRP  61          1HB       TRP  61  -1.384  -2.797  -0.763
  490    HD1  TRP  61           HD1      TRP  61   0.665  -4.175   2.004
  491    HE1  TRP  61           HE1      TRP  61  -0.339  -6.374   2.858
  492    HE3  TRP  61           HE3      TRP  61  -3.934  -3.901  -0.223
  493    HZ2  TRP  61           HZ2      TRP  61  -2.754  -7.806   2.640
  494    HZ3  TRP  61           HZ3      TRP  61  -5.528  -5.730   0.156
  495    HH2  TRP  61           HH2      TRP  61  -4.954  -7.643   1.557
  496    H    GLY  62           H        GLY  62  -0.177  -2.359  -2.154
  497   1HA   GLY  62          2HA       GLY  62  -0.141   0.389  -2.991
  498   2HA   GLY  62          1HA       GLY  62   1.351  -0.485  -3.446
  499    H    GLY  63           H        GLY  63  -0.515   0.661  -5.252
  500   1HA   GLY  63          1HA       GLY  63  -0.748  -1.304  -7.186
  501   2HA   GLY  63          2HA       GLY  63  -2.286  -1.281  -6.334
  502    H    SER  64           H        SER  64  -3.447  -0.529  -8.110
  503    HA   SER  64           HA       SER  64  -3.030   2.320  -8.708
  504   1HB   SER  64          1HB       SER  64  -3.577   1.940 -11.070
  505   2HB   SER  64          2HB       SER  64  -2.150   1.010 -10.606
  506    HG   SER  64           HG       SER  64  -4.069  -0.618 -10.143
  507    H    VAL  65           H        VAL  65  -4.861   3.539  -8.812
  508    HA   VAL  65           HA       VAL  65  -7.313   2.233  -7.950
  509    HB   VAL  65           HB       VAL  65  -6.642   4.171  -6.672
  510   1HG1  VAL  65          1HG1      VAL  65  -6.595   6.431  -7.625
  511   2HG1  VAL  65          2HG1      VAL  65  -6.843   5.750  -9.232
  512   3HG1  VAL  65          3HG1      VAL  65  -5.367   5.384  -8.338
  513   1HG2  VAL  65          1HG2      VAL  65  -9.128   3.689  -7.375
  514   2HG2  VAL  65          2HG2      VAL  65  -8.972   5.255  -8.171
  515   3HG2  VAL  65          3HG2      VAL  65  -8.708   5.120  -6.433
  516    H    GLN  66           H        GLN  66  -8.980   1.806  -9.189
  517    HA   GLN  66           HA       GLN  66  -8.963   2.635 -11.982
  518   1HB   GLN  66          2HB       GLN  66  -9.356   0.261 -11.354
  519   2HB   GLN  66          1HB       GLN  66 -10.831   0.746 -10.530
  520   1HG   GLN  66          2HG       GLN  66 -11.779   1.502 -12.637
  521   2HG   GLN  66          1HG       GLN  66 -10.292   1.052 -13.478
  522   1HE2  GLN  66          1HE2      GLN  66 -10.364  -0.826 -14.470
  523   2HE2  GLN  66          2HE2      GLN  66 -11.358  -2.172 -14.044
  524    H    GLY  67           H        GLY  67 -10.507   3.491  -9.038
  525   1HA   GLY  67          1HA       GLY  67 -13.029   4.356  -9.767
  526   2HA   GLY  67          2HA       GLY  67 -12.059   5.096  -8.506
  527    H    ASP  68           H        ASP  68 -10.303   6.625  -9.394
  528    HA   ASP  68           HA       ASP  68 -11.521   8.263 -11.516
  529   1HB   ASP  68          2HB       ASP  68 -10.407  10.216 -10.458
  530   2HB   ASP  68          1HB       ASP  68 -11.592   9.446  -9.417
  531    H    TYR  69           H        TYR  69 -10.126   9.381 -12.983
  532    HA   TYR  69           HA       TYR  69  -7.371   8.397 -13.089
  533   1HB   TYR  69          2HB       TYR  69  -8.892   6.980 -14.541
  534   2HB   TYR  69          1HB       TYR  69  -9.153   8.406 -15.535
  535    HD1  TYR  69           HD1      TYR  69  -6.150   6.709 -14.041
  536    HD2  TYR  69           HD2      TYR  69  -7.984   8.346 -17.516
  537    HE1  TYR  69           HE1      TYR  69  -4.147   6.159 -15.348
  538    HE2  TYR  69           HE2      TYR  69  -5.983   7.797 -18.834
  539    HH   TYR  69           HH       TYR  69  -3.326   7.438 -18.086
  540    H    TYR  70           H        TYR  70  -8.806  10.078 -15.817
  541    HA   TYR  70           HA       TYR  70  -8.238  12.027 -16.836
  542   1HB   TYR  70          2HB       TYR  70  -8.763  12.969 -14.014
  543   2HB   TYR  70          1HB       TYR  70  -8.509  14.072 -15.359
  544    HD1  TYR  70           HD1      TYR  70 -10.313  14.775 -16.634
  545    HD2  TYR  70           HD2      TYR  70 -10.719  11.250 -14.283
  546    HE1  TYR  70           HE1      TYR  70 -12.708  14.694 -17.178
  547    HE2  TYR  70           HE2      TYR  70 -13.115  11.158 -14.827
  548    HH   TYR  70           HH       TYR  70 -14.543  12.231 -17.041
  549    H    GLY  71           H        GLY  71  -6.008  10.846 -16.845
  550   1HA   GLY  71          2HA       GLY  71  -3.868  12.075 -17.233
  551   2HA   GLY  71          1HA       GLY  71  -4.012  12.585 -15.554
  552    H    ASP  72           H        ASP  72  -2.256  10.712 -17.338
  553    HA   ASP  72           HA       ASP  72  -2.210   8.105 -16.693
  554   1HB   ASP  72          2HB       ASP  72   0.225   9.896 -16.622
  555   2HB   ASP  72          1HB       ASP  72   0.238   8.149 -16.847
  556    H    LEU  73           H        LEU  73  -2.525   7.057 -14.865
  557    HA   LEU  73           HA       LEU  73  -0.950   7.725 -12.503
  558   1HB   LEU  73          2HB       LEU  73  -3.202   8.915 -12.459
  559   2HB   LEU  73          1HB       LEU  73  -3.912   7.324 -12.267
  560    HG   LEU  73           HG       LEU  73  -2.455   7.049 -10.211
  561   1HD1  LEU  73          1HD1      LEU  73  -1.277   9.388 -11.138
  562   2HD1  LEU  73          2HD1      LEU  73  -1.033   8.638  -9.559
  563   3HD1  LEU  73          3HD1      LEU  73  -2.248   9.902  -9.756
  564   1HD2  LEU  73          1HD2      LEU  73  -4.209   7.696  -8.998
  565   2HD2  LEU  73          2HD2      LEU  73  -4.934   8.075 -10.561
  566   3HD2  LEU  73          3HD2      LEU  73  -4.155   9.347  -9.618
  567    H    ALA  74           H        ALA  74  -3.245   5.558 -14.080
  568    HA   ALA  74           HA       ALA  74  -2.705   3.351 -12.312
  569   1HB   ALA  74          1HB       ALA  74  -4.905   3.638 -13.362
  570   2HB   ALA  74          2HB       ALA  74  -4.185   2.080 -13.768
  571   3HB   ALA  74          3HB       ALA  74  -4.174   3.391 -14.948
  572    H    ALA  75           H        ALA  75  -1.037   4.718 -14.869
  573    HA   ALA  75           HA       ALA  75   0.138   2.197 -15.780
  574   1HB   ALA  75          1HB       ALA  75   1.362   4.275 -17.161
  575   2HB   ALA  75          2HB       ALA  75  -0.315   4.787 -16.975
  576   3HB   ALA  75          3HB       ALA  75   0.056   3.242 -17.740
  577    H    ARG  76           H        ARG  76   0.794   4.850 -13.691
  578    HA   ARG  76           HA       ARG  76   3.625   4.097 -13.569
  579   1HB   ARG  76          1HB       ARG  76   3.905   6.327 -12.351
  580   2HB   ARG  76          2HB       ARG  76   3.583   6.381 -14.075
  581   1HG   ARG  76          2HG       ARG  76   2.205   8.037 -13.315
  582   2HG   ARG  76          1HG       ARG  76   1.099   6.667 -13.323
  583   1HD   ARG  76          2HD       ARG  76   0.842   7.938 -11.276
  584   2HD   ARG  76          1HD       ARG  76   1.504   6.345 -10.919
  585    HE   ARG  76           HE       ARG  76   3.355   7.364 -10.069
  586   1HH1  ARG  76          1HH1      ARG  76   1.738   9.712 -12.121
  587   2HH1  ARG  76          2HH1      ARG  76   2.839  10.986 -11.721
  588   1HH2  ARG  76          1HH2      ARG  76   4.781   9.052  -9.559
  589   2HH2  ARG  76          2HH2      ARG  76   4.558  10.614 -10.274
  590    H    LEU  77           H        LEU  77   0.876   3.387 -12.087
  591    HA   LEU  77           HA       LEU  77   0.233   2.484 -10.119
  592   1HB   LEU  77          1HB       LEU  77   3.189   1.958 -10.020
  593   2HB   LEU  77          2HB       LEU  77   2.110   1.397  -8.759
  594    HG   LEU  77           HG       LEU  77   1.703   0.672 -11.658
  595   1HD1  LEU  77          1HD1      LEU  77   2.675  -1.581 -10.501
  596   2HD1  LEU  77          2HD1      LEU  77   3.659  -0.342  -9.721
  597   3HD1  LEU  77          3HD1      LEU  77   3.630  -0.467 -11.479
  598   1HD2  LEU  77          1HD2      LEU  77   0.653  -0.354  -9.032
  599   2HD2  LEU  77          2HD2      LEU  77   0.543  -1.285 -10.528
  600   3HD2  LEU  77          3HD2      LEU  77  -0.258   0.281 -10.403
  601    H    GLY  78           H        GLY  78   0.836   2.362  -7.633
  602   1HA   GLY  78          1HA       GLY  78   1.980   4.709  -6.463
  603   2HA   GLY  78          2HA       GLY  78   0.222   4.765  -6.464
  604    H    TYR  79           H        TYR  79   0.979   4.833  -4.026
  605    HA   TYR  79           HA       TYR  79   0.711   2.086  -3.023
  606   1HB   TYR  79          2HB       TYR  79   2.703   4.125  -1.990
  607   2HB   TYR  79          1HB       TYR  79   2.337   2.602  -1.178
  608    HD1  TYR  79           HD1      TYR  79   4.086   4.182  -3.971
  609    HD2  TYR  79           HD2      TYR  79   3.019   0.456  -2.208
  610    HE1  TYR  79           HE1      TYR  79   5.733   3.043  -5.395
  611    HE2  TYR  79           HE2      TYR  79   4.667  -0.690  -3.626
  612    HH   TYR  79           HH       TYR  79   6.983   1.034  -5.523
  613    H    PHE  80           H        PHE  80  -0.398   1.837  -1.073
  614    HA   PHE  80           HA       PHE  80  -1.518   4.158   0.271
  615   1HB   PHE  80          2HB       PHE  80  -3.871   3.356  -0.081
  616   2HB   PHE  80          1HB       PHE  80  -3.090   3.919  -1.555
  617    HD1  PHE  80           HD1      PHE  80  -4.254   0.927   0.277
  618    HD2  PHE  80           HD2      PHE  80  -2.706   2.446  -3.387
  619    HE1  PHE  80           HE1      PHE  80  -4.798  -1.199  -0.831
  620    HE2  PHE  80           HE2      PHE  80  -3.251   0.323  -4.497
  621    HZ   PHE  80           HZ       PHE  80  -4.297  -1.502  -3.222
  622    HA   PRO  81           HA       PRO  81  -1.465   1.296   3.716
  623   1HB   PRO  81          2HB       PRO  81  -3.708   2.535   5.059
  624   2HB   PRO  81          1HB       PRO  81  -1.989   2.678   5.430
  625   1HG   PRO  81          2HG       PRO  81  -3.507   4.741   4.473
  626   2HG   PRO  81          1HG       PRO  81  -1.755   4.597   4.212
  627   1HD   PRO  81          2HD       PRO  81  -4.010   3.924   2.358
  628   2HD   PRO  81          1HD       PRO  81  -2.462   4.726   2.009
  629    H    SER  82           H        SER  82  -2.297  -0.677   4.130
  630    HA   SER  82           HA       SER  82  -4.549  -1.656   2.725
  631   1HB   SER  82          2HB       SER  82  -4.153  -3.747   3.930
  632   2HB   SER  82          1HB       SER  82  -2.622  -3.060   3.393
  633    HG   SER  82           HG       SER  82  -2.423  -3.705   5.529
  634    H    SER  83           H        SER  83  -4.244  -0.079   5.749
  635    HA   SER  83           HA       SER  83  -6.463  -1.145   7.121
  636   1HB   SER  83          2HB       SER  83  -6.258   0.851   8.562
  637   2HB   SER  83          1HB       SER  83  -4.704   0.065   8.282
  638    HG   SER  83           HG       SER  83  -5.621   2.544   7.446
  639    H    ILE  84           H        ILE  84  -6.368   1.040   4.438
  640    HA   ILE  84           HA       ILE  84  -9.054   2.018   5.113
  641    HB   ILE  84           HB       ILE  84  -8.820   3.689   3.374
  642   1HG1  ILE  84          2HG1      ILE  84  -5.937   2.916   3.035
  643   2HG1  ILE  84          1HG1      ILE  84  -7.183   2.203   2.010
  644   1HG2  ILE  84          1HG2      ILE  84  -8.163   4.399   5.515
  645   2HG2  ILE  84          2HG2      ILE  84  -6.888   4.949   4.427
  646   3HG2  ILE  84          3HG2      ILE  84  -6.636   3.519   5.429
  647   1HD1  ILE  84          1HD1      ILE  84  -7.704   4.910   1.931
  648   2HD1  ILE  84          2HD1      ILE  84  -6.914   3.949   0.681
  649   3HD1  ILE  84          3HD1      ILE  84  -5.944   4.803   1.882
  650    H    VAL  85           H        VAL  85  -7.874  -0.582   3.524
  651    HA   VAL  85           HA       VAL  85 -10.072  -0.488   1.557
  652    HB   VAL  85           HB       VAL  85  -8.829  -2.047   0.124
  653   1HG1  VAL  85          1HG1      VAL  85  -7.392   0.510   0.807
  654   2HG1  VAL  85          2HG1      VAL  85  -8.675   0.288  -0.382
  655   3HG1  VAL  85          3HG1      VAL  85  -7.094  -0.447  -0.645
  656   1HG2  VAL  85          1HG2      VAL  85  -6.261  -2.096   0.660
  657   2HG2  VAL  85          2HG2      VAL  85  -7.353  -3.278   1.384
  658   3HG2  VAL  85          3HG2      VAL  85  -6.817  -1.880   2.320
  659    H    ARG  86           H        ARG  86 -11.146  -2.453   1.052
  660    HA   ARG  86           HA       ARG  86 -11.058  -4.466   3.203
  661   1HB   ARG  86          2HB       ARG  86 -13.070  -3.010   3.295
  662   2HB   ARG  86          1HB       ARG  86 -13.503  -3.564   1.682
  663   1HG   ARG  86          2HG       ARG  86 -14.048  -5.682   2.410
  664   2HG   ARG  86          1HG       ARG  86 -13.052  -5.553   3.861
  665   1HD   ARG  86          2HD       ARG  86 -14.599  -3.922   4.782
  666   2HD   ARG  86          1HD       ARG  86 -15.608  -4.046   3.340
  667    HE   ARG  86           HE       ARG  86 -15.294  -6.606   4.427
  668   1HH1  ARG  86          1HH1      ARG  86 -16.861  -3.573   5.233
  669   2HH1  ARG  86          2HH1      ARG  86 -18.109  -4.332   6.161
  670   1HH2  ARG  86          1HH2      ARG  86 -16.939  -7.583   5.648
  671   2HH2  ARG  86          2HH2      ARG  86 -18.153  -6.601   6.397
  672    H    GLU  87           H        GLU  87 -10.232  -6.275   2.415
  673    HA   GLU  87           HA       GLU  87 -10.399  -6.905  -0.407
  674   1HB   GLU  87          1HB       GLU  87  -9.144  -8.556   1.790
  675   2HB   GLU  87          2HB       GLU  87  -8.867  -8.708   0.062
  676   1HG   GLU  87          1HG       GLU  87  -6.990  -7.598   0.729
  677   2HG   GLU  87          2HG       GLU  87  -8.033  -6.258   0.254
  678    H    ASP  88           H        ASP  88 -11.507  -8.567  -1.328
  679    HA   ASP  88           HA       ASP  88 -12.948 -10.486   0.292
  680   1HB   ASP  88          2HB       ASP  88 -14.403  -8.421   0.193
  681   2HB   ASP  88          1HB       ASP  88 -14.501  -8.651  -1.549
  682    H    GLN  89           H        GLN  89 -11.993  -9.207  -2.830
  683    HA   GLN  89           HA       GLN  89 -12.403 -11.894  -3.991
  684   1HB   GLN  89          2HB       GLN  89 -14.009 -10.465  -4.990
  685   2HB   GLN  89          1HB       GLN  89 -12.833  -9.185  -5.226
  686   1HG   GLN  89          1HG       GLN  89 -13.488 -10.343  -7.303
  687   2HG   GLN  89          2HG       GLN  89 -11.761 -10.398  -6.972
  688   1HE2  GLN  89          1HE2      GLN  89 -10.928 -12.197  -7.593
  689   2HE2  GLN  89          2HE2      GLN  89 -11.603 -13.772  -7.427
  690    H    THR  90           H        THR  90 -10.612 -12.903  -4.499
  691    HA   THR  90           HA       THR  90  -8.155 -11.371  -5.036
  692    HB   THR  90           HB       THR  90  -8.434 -14.322  -4.416
  693    HG1  THR  90           HG1      THR  90  -7.857 -12.139  -2.709
  694   1HG2  THR  90          1HG2      THR  90  -6.140 -14.421  -4.061
  695   2HG2  THR  90          2HG2      THR  90  -5.977 -12.665  -4.026
  696   3HG2  THR  90          3HG2      THR  90  -6.308 -13.490  -5.549
  697    H    LEU  91           H        LEU  91  -7.708 -11.088  -7.116
  698    HA   LEU  91           HA       LEU  91  -8.975 -12.692  -9.163
  699   1HB   LEU  91          1HB       LEU  91  -6.940 -10.531  -9.629
  700   2HB   LEU  91          2HB       LEU  91  -8.234 -11.053 -10.688
  701    HG   LEU  91           HG       LEU  91  -8.768  -9.674  -8.062
  702   1HD1  LEU  91          1HD2      LEU  91  -9.125  -7.634  -9.503
  703   2HD1  LEU  91          2HD2      LEU  91  -8.233  -8.484 -10.764
  704   3HD1  LEU  91          3HD2      LEU  91  -7.450  -8.112  -9.227
  705   1HD2  LEU  91          1HD1      LEU  91 -10.814  -8.993  -9.577
  706   2HD2  LEU  91          2HD1      LEU  91 -10.785 -10.518  -8.689
  707   3HD2  LEU  91          3HD1      LEU  91 -10.389 -10.492 -10.408
  708    H    LYS  92           H        LYS  92  -5.921 -12.626  -7.597
  709    HA   LYS  92           HA       LYS  92  -4.962 -14.904  -9.032
  710   1HB   LYS  92          2HB       LYS  92  -4.491 -13.071 -10.673
  711   2HB   LYS  92          1HB       LYS  92  -3.430 -12.326  -9.491
  712   1HG   LYS  92          2HG       LYS  92  -1.766 -13.531 -10.337
  713   2HG   LYS  92          1HG       LYS  92  -2.553 -14.977  -9.707
  714   1HD   LYS  92          1HD       LYS  92  -3.207 -13.783 -12.390
  715   2HD   LYS  92          2HD       LYS  92  -1.970 -15.013 -12.172
  716   1HE   LYS  92          2HE       LYS  92  -4.875 -15.339 -11.422
  717   2HE   LYS  92          1HE       LYS  92  -4.146 -15.933 -12.912
  718   1HZ   LYS  92          1HZ       LYS  92  -4.235 -17.186 -10.420
  719   2HZ   LYS  92          2HZ       LYS  92  -2.613 -16.830 -10.740
  720   3HZ   LYS  92          3HZ       LYS  92  -3.510 -17.746 -11.842
  721    HA   PRO  93           HA       PRO  93  -3.018 -15.350  -4.981
  722   1HB   PRO  93          1HB       PRO  93  -1.203 -17.134  -6.547
  723   2HB   PRO  93          2HB       PRO  93  -2.017 -17.443  -5.014
  724   1HG   PRO  93          2HG       PRO  93  -2.974 -18.538  -7.188
  725   2HG   PRO  93          1HG       PRO  93  -4.108 -17.727  -6.083
  726   1HD   PRO  93          1HD       PRO  93  -2.892 -16.697  -8.631
  727   2HD   PRO  93          2HD       PRO  93  -4.582 -16.653  -8.110
  728    H    GLY  94           H        GLY  94  -1.593 -14.060  -4.031
  729   1HA   GLY  94          1HA       GLY  94   0.712 -13.072  -5.587
  730   2HA   GLY  94          2HA       GLY  94  -0.019 -12.239  -4.221
  731    H    LYS  95           H        LYS  95   1.903 -14.999  -5.182
  732    HA   LYS  95           HA       LYS  95   3.029 -15.095  -2.476
  733   1HB   LYS  95          2HB       LYS  95   3.444 -17.615  -3.150
  734   2HB   LYS  95          1HB       LYS  95   1.933 -17.086  -2.425
  735   1HG   LYS  95          2HG       LYS  95   0.836 -17.060  -4.546
  736   2HG   LYS  95          1HG       LYS  95   2.360 -17.343  -5.390
  737   1HD   LYS  95          2HD       LYS  95   1.146 -19.409  -5.325
  738   2HD   LYS  95          1HD       LYS  95   2.516 -19.547  -4.225
  739   1HE   LYS  95          2HE       LYS  95   0.528 -20.512  -3.220
  740   2HE   LYS  95          1HE       LYS  95   1.023 -19.074  -2.329
  741   1HZ   LYS  95          1HZ       LYS  95  -1.408 -19.254  -2.759
  742   2HZ   LYS  95          2HZ       LYS  95  -1.091 -19.060  -4.410
  743   3HZ   LYS  95          3HZ       LYS  95  -0.710 -17.819  -3.325
  744    H    VAL  96           H        VAL  96   4.017 -13.634  -4.819
  745    HA   VAL  96           HA       VAL  96   6.619 -14.995  -5.164
  746    HB   VAL  96           HB       VAL  96   5.354 -12.978  -7.042
  747   1HG1  VAL  96          1HG1      VAL  96   7.702 -12.747  -7.221
  748   2HG1  VAL  96          2HG1      VAL  96   7.210 -13.759  -8.579
  749   3HG1  VAL  96          3HG1      VAL  96   7.953 -14.492  -7.156
  750   1HG2  VAL  96          1HG2      VAL  96   5.652 -15.968  -7.267
  751   2HG2  VAL  96          2HG2      VAL  96   5.213 -14.912  -8.610
  752   3HG2  VAL  96          3HG2      VAL  96   4.151 -15.042  -7.206
  753    H    ASP  97           H        ASP  97   8.424 -13.928  -4.504
  754    HA   ASP  97           HA       ASP  97   8.040 -11.274  -3.299
  755   1HB   ASP  97          2HB       ASP  97   8.866 -13.167  -1.873
  756   2HB   ASP  97          1HB       ASP  97  10.316 -13.221  -2.863
  757    H    VAL  98           H        VAL  98   8.704  -9.587  -4.408
  758    HA   VAL  98           HA       VAL  98  11.090  -9.813  -6.138
  759    HB   VAL  98           HB       VAL  98   8.761  -7.945  -6.658
  760   1HG1  VAL  98          1HG1      VAL  98  11.393  -8.318  -7.833
  761   2HG1  VAL  98          2HG1      VAL  98  10.257  -6.980  -8.000
  762   3HG1  VAL  98          3HG1      VAL  98  10.099  -8.405  -9.028
  763   1HG2  VAL  98          1HG2      VAL  98   8.794 -10.736  -7.068
  764   2HG2  VAL  98          2HG2      VAL  98   8.975  -9.982  -8.652
  765   3HG2  VAL  98          3HG2      VAL  98   7.598  -9.566  -7.630
  766    H    LYS  99           H        LYS  99  12.667  -8.312  -5.773
  767    HA   LYS  99           HA       LYS  99  12.357  -6.515  -3.529
  768   1HB   LYS  99          1HB       LYS  99  14.741  -5.971  -3.929
  769   2HB   LYS  99          2HB       LYS  99  14.458  -7.698  -3.791
  770   1HG   LYS  99          2HG       LYS  99  14.604  -7.962  -6.171
  771   2HG   LYS  99          1HG       LYS  99  14.791  -6.221  -6.383
  772   1HD   LYS  99          2HD       LYS  99  16.883  -6.299  -5.110
  773   2HD   LYS  99          1HD       LYS  99  16.691  -8.041  -4.901
  774   1HE   LYS  99          2HE       LYS  99  16.978  -6.613  -7.544
  775   2HE   LYS  99          1HE       LYS  99  18.264  -7.484  -6.708
  776   1HZ   LYS  99          1HZ       LYS  99  15.949  -8.526  -8.158
  777   2HZ   LYS  99          2HZ       LYS  99  16.476  -9.398  -6.809
  778   3HZ   LYS  99          3HZ       LYS  99  17.537  -9.108  -8.094
  779    H    THR 100           H        THR 100  13.072  -4.199  -3.697
  780    HA   THR 100           HA       THR 100  11.772  -2.967  -6.010
  781    HB   THR 100           HB       THR 100  11.826  -0.891  -4.663
  782    HG1  THR 100           HG1      THR 100  12.857  -0.787  -2.816
  783   1HG2  THR 100          1HG2      THR 100  10.708  -3.263  -3.191
  784   2HG2  THR 100          2HG2      THR 100   9.877  -2.270  -4.387
  785   3HG2  THR 100          3HG2      THR 100  10.338  -1.576  -2.833
  786    H    ASP 101           H        ASP 101  12.702  -1.094  -7.043
  787    HA   ASP 101           HA       ASP 101  15.643  -1.224  -7.192
  788   1HB   ASP 101          2HB       ASP 101  13.623  -0.437  -9.298
  789   2HB   ASP 101          1HB       ASP 101  15.366  -0.312  -9.502
  790    H    LYS 102           H        LYS 102  16.258   1.069  -8.488
  791    HA   LYS 102           HA       LYS 102  15.843   3.023  -6.420
  792   1HB   LYS 102          2HB       LYS 102  17.405   4.434  -7.766
  793   2HB   LYS 102          1HB       LYS 102  18.058   2.888  -7.257
  794   1HG   LYS 102          2HG       LYS 102  18.831   3.047  -9.411
  795   2HG   LYS 102          1HG       LYS 102  17.365   2.099  -9.630
  796   1HD   LYS 102          2HD       LYS 102  17.489   3.764 -11.362
  797   2HD   LYS 102          1HD       LYS 102  16.160   4.161 -10.278
  798   1HE   LYS 102          2HE       LYS 102  17.431   6.147 -10.932
  799   2HE   LYS 102          1HE       LYS 102  17.526   5.859  -9.194
  800   1HZ   LYS 102          1HZ       LYS 102  19.653   6.418 -10.577
  801   2HZ   LYS 102          2HZ       LYS 102  19.632   4.762 -10.921
  802   3HZ   LYS 102          3HZ       LYS 102  19.724   5.291  -9.317
  803    H    TRP 103           H        TRP 103  14.339   2.292  -9.385
  804    HA   TRP 103           HA       TRP 103  13.414   4.944  -9.982
  805   1HB   TRP 103          2HB       TRP 103  12.483   2.248 -10.993
  806   2HB   TRP 103          1HB       TRP 103  11.901   3.794 -11.600
  807    HD1  TRP 103           HD1      TRP 103  14.937   1.489 -11.707
  808    HE1  TRP 103           HE1      TRP 103  16.531   2.296 -13.560
  809    HE3  TRP 103           HE3      TRP 103  12.643   5.904 -12.882
  810    HZ2  TRP 103           HZ2      TRP 103  16.788   4.517 -15.281
  811    HZ3  TRP 103           HZ3      TRP 103  13.630   7.314 -14.644
  812    HH2  TRP 103           HH2      TRP 103  15.660   6.632 -15.818
  813    H    ASP 104           H        ASP 104  12.454   2.385  -7.918
  814    HA   ASP 104           HA       ASP 104   9.710   3.198  -7.628
  815   1HB   ASP 104          2HB       ASP 104  11.436   1.325  -5.990
  816   2HB   ASP 104          1HB       ASP 104   9.716   1.576  -5.720
  817    H    PHE 105           H        PHE 105   8.822   4.439  -6.047
  818    HA   PHE 105           HA       PHE 105   8.638   6.101  -4.522
  819   1HB   PHE 105          2HB       PHE 105  11.003   4.735  -3.203
  820   2HB   PHE 105          1HB       PHE 105   9.957   5.924  -2.442
  821    HD1  PHE 105           HD1      PHE 105  10.190   2.467  -3.658
  822    HD2  PHE 105           HD2      PHE 105   7.786   5.327  -1.617
  823    HE1  PHE 105           HE1      PHE 105   8.721   0.662  -2.868
  824    HE2  PHE 105           HE2      PHE 105   6.313   3.519  -0.822
  825    HZ   PHE 105           HZ       PHE 105   6.781   1.187  -1.448
  826    H    TYR 106           H        TYR 106   9.882   6.901  -6.788
  827    HA   TYR 106           HA       TYR 106  11.661   9.002  -5.799
  828   1HB   TYR 106          2HB       TYR 106  13.142   7.217  -6.660
  829   2HB   TYR 106          1HB       TYR 106  12.306   7.260  -8.203
  830    HD1  TYR 106           HD1      TYR 106  14.111   7.768  -9.621
  831    HD2  TYR 106           HD2      TYR 106  13.398  10.263  -6.233
  832    HE1  TYR 106           HE1      TYR 106  15.733   9.400 -10.477
  833    HE2  TYR 106           HE2      TYR 106  15.019  11.893  -7.093
  834    HH   TYR 106           HH       TYR 106  15.946  12.496  -9.470
  835    H    CYS 107           H        CYS 107  10.313  10.648  -6.118
  836    HA   CYS 107           HA       CYS 107   8.869  10.908  -8.651
  837   1HB   CYS 107          1HB       CYS 107   7.615  11.169  -6.534
  838   2HB   CYS 107          2HB       CYS 107   8.641  12.529  -6.105
  839    H    GLN 108           HN       GLN 108   9.331  12.425 -10.139
  840    HA   GLN 108           HA       GLN 108  11.445  14.385  -9.507
  841   1HB   GLN 108          2HB       GLN 108  10.944  12.968 -12.133
  842   2HB   GLN 108          1HB       GLN 108  12.142  14.228 -11.878
  843   1HG   GLN 108          2HG       GLN 108  13.309  12.803 -10.276
  844   2HG   GLN 108          1HG       GLN 108  12.103  11.539 -10.522
  845   1HE2  GLN 108          1HE2      GLN 108  12.723   9.994 -11.836
  846   2HE2  GLN 108          2HE2      GLN 108  13.826  10.151 -13.158
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1   8.200  16.413  -5.591
    2   2H    MET   1          2HT       MET   1   7.754  14.789  -5.429
    3   3H    MET   1          3HT       MET   1   6.990  15.764  -6.580
    4    HA   MET   1           HA       MET   1   8.762  14.140  -7.371
    5   1HB   MET   1          2HB       MET   1   9.584  15.918  -9.018
    6   2HB   MET   1          1HB       MET   1   7.849  15.673  -8.906
    7   1HG   MET   1          2HG       MET   1   7.654  17.663  -7.500
    8   2HG   MET   1          1HG       MET   1   9.397  17.902  -7.596
    9   1HE   MET   1          1HE       MET   1   6.194  18.667 -10.710
   10   2HE   MET   1          2HE       MET   1   6.168  17.481  -9.405
   11   3HE   MET   1          3HE       MET   1   6.918  17.076 -10.949
   12    H    GLY   2           H        GLY   2  10.144  13.574  -5.597
   13   1HA   GLY   2          2HA       GLY   2  12.810  14.488  -5.941
   14   2HA   GLY   2          1HA       GLY   2  12.142  15.095  -4.432
   15    HA   PRO   3           HA       PRO   3  13.461  10.598  -3.974
   16   1HB   PRO   3          1HB       PRO   3  16.041  10.766  -3.267
   17   2HB   PRO   3          2HB       PRO   3  15.536  10.663  -4.926
   18   1HG   PRO   3          1HG       PRO   3  16.570  12.951  -3.395
   19   2HG   PRO   3          2HG       PRO   3  16.664  12.627  -5.130
   20   1HD   PRO   3          2HD       PRO   3  14.879  14.354  -3.805
   21   2HD   PRO   3          1HD       PRO   3  14.833  13.875  -5.504
   22    H    MET   4           H        MET   4  12.763   9.820  -2.124
   23    HA   MET   4           HA       MET   4  13.651  11.038   0.399
   24   1HB   MET   4          2HB       MET   4  11.384  10.615   1.336
   25   2HB   MET   4          1HB       MET   4  11.384  11.800   0.037
   26   1HG   MET   4          2HG       MET   4   9.592  10.603  -0.622
   27   2HG   MET   4          1HG       MET   4  10.836   9.634  -1.407
   28   1HE   MET   4          1HE       MET   4   8.740   8.537   2.545
   29   2HE   MET   4          2HE       MET   4   7.969   9.589   1.357
   30   3HE   MET   4          3HE       MET   4   9.449  10.107   2.166
   31    HA   PRO   5           HA       PRO   5  14.972   7.063   1.880
   32   1HB   PRO   5          2HB       PRO   5  13.080   7.416   4.164
   33   2HB   PRO   5          1HB       PRO   5  14.786   6.960   4.180
   34   1HG   PRO   5          2HG       PRO   5  14.065   9.423   4.828
   35   2HG   PRO   5          1HG       PRO   5  15.501   9.147   3.824
   36   1HD   PRO   5          1HD       PRO   5  12.789  10.118   3.032
   37   2HD   PRO   5          2HD       PRO   5  14.384  10.577   2.406
   38    H    LYS   6           H        LYS   6  14.431   5.092   1.259
   39    HA   LYS   6           HA       LYS   6  11.969   4.352   0.204
   40   1HB   LYS   6          1HB       LYS   6  14.147   2.560   1.292
   41   2HB   LYS   6          2HB       LYS   6  12.834   2.039   0.248
   42   1HG   LYS   6          1HG       LYS   6  13.669   3.483  -1.534
   43   2HG   LYS   6          2HG       LYS   6  14.980   4.021  -0.486
   44   1HD   LYS   6          2HD       LYS   6  15.921   2.358  -1.872
   45   2HD   LYS   6          1HD       LYS   6  15.655   1.578  -0.312
   46   1HE   LYS   6          2HE       LYS   6  13.591   0.578  -1.158
   47   2HE   LYS   6          1HE       LYS   6  13.852   1.357  -2.720
   48   1HZ   LYS   6          1HZ       LYS   6  15.010  -0.422  -3.300
   49   2HZ   LYS   6          2HZ       LYS   6  14.925  -1.074  -1.742
   50   3HZ   LYS   6          3HZ       LYS   6  16.179  -0.015  -2.147
   51    H    LEU   7           H        LEU   7  10.162   3.449   0.975
   52    HA   LEU   7           HA       LEU   7   9.752   3.354   3.823
   53   1HB   LEU   7          2HB       LEU   7   8.055   4.176   2.164
   54   2HB   LEU   7          1HB       LEU   7   7.873   2.526   1.604
   55    HG   LEU   7           HG       LEU   7   7.148   1.919   3.952
   56   1HD1  LEU   7          1HD1      LEU   7   6.297   4.634   4.557
   57   2HD1  LEU   7          2HD1      LEU   7   8.050   4.445   4.582
   58   3HD1  LEU   7          3HD1      LEU   7   7.038   3.420   5.600
   59   1HD2  LEU   7          1HD2      LEU   7   4.936   3.418   3.553
   60   2HD2  LEU   7          2HD2      LEU   7   5.303   1.936   2.670
   61   3HD2  LEU   7          3HD2      LEU   7   5.683   3.503   1.957
   62    H    ALA   8           H        ALA   8  10.155   1.077   1.188
   63    HA   ALA   8           HA       ALA   8  10.601  -1.078   3.099
   64   1HB   ALA   8          1HB       ALA   8   9.159  -2.398   1.162
   65   2HB   ALA   8          2HB       ALA   8   8.258  -0.899   1.377
   66   3HB   ALA   8          3HB       ALA   8   8.568  -1.947   2.762
   67    H    ASP   9           H        ASP   9  11.407  -3.092   1.897
   68    HA   ASP   9           HA       ASP   9  13.212  -2.221  -0.261
   69   1HB   ASP   9          1HB       ASP   9  13.544  -4.434   1.776
   70   2HB   ASP   9          2HB       ASP   9  14.662  -4.125   0.452
   71    H    ARG  10           H        ARG  10  11.453  -5.121   0.876
   72    HA   ARG  10           HA       ARG  10  11.165  -5.943  -1.943
   73   1HB   ARG  10          2HB       ARG  10  11.510  -7.607   0.538
   74   2HB   ARG  10          1HB       ARG  10  10.816  -8.283  -0.920
   75   1HG   ARG  10          1HG       ARG  10  13.038  -8.897  -1.055
   76   2HG   ARG  10          2HG       ARG  10  12.968  -7.456  -2.067
   77   1HD   ARG  10          2HD       ARG  10  13.841  -6.110  -0.233
   78   2HD   ARG  10          1HD       ARG  10  13.885  -7.535   0.804
   79    HE   ARG  10           HE       ARG  10  15.379  -8.067  -1.502
   80   1HH1  ARG  10          1HH1      ARG  10  15.554  -6.021   1.342
   81   2HH1  ARG  10          2HH1      ARG  10  17.283  -5.971   1.340
   82   1HH2  ARG  10          1HH2      ARG  10  17.647  -7.990  -1.487
   83   2HH2  ARG  10          2HH2      ARG  10  18.468  -7.084  -0.259
   84    H    LYS  11           H        LYS  11   9.193  -6.795  -2.620
   85    HA   LYS  11           HA       LYS  11   6.907  -6.401  -0.806
   86   1HB   LYS  11          2HB       LYS  11   5.630  -5.542  -2.750
   87   2HB   LYS  11          1HB       LYS  11   7.001  -4.522  -2.336
   88   1HG   LYS  11          2HG       LYS  11   8.279  -5.756  -4.151
   89   2HG   LYS  11          1HG       LYS  11   6.719  -6.407  -4.656
   90   1HD   LYS  11          2HD       LYS  11   5.875  -4.123  -4.943
   91   2HD   LYS  11          1HD       LYS  11   7.452  -3.494  -4.467
   92   1HE   LYS  11          2HE       LYS  11   8.479  -4.616  -6.383
   93   2HE   LYS  11          1HE       LYS  11   6.903  -5.249  -6.857
   94   1HZ   LYS  11          1HZ       LYS  11   8.021  -2.619  -7.243
   95   2HZ   LYS  11          2HZ       LYS  11   6.427  -2.608  -6.677
   96   3HZ   LYS  11          3HZ       LYS  11   6.809  -3.418  -8.111
   97    H    LEU  12           H        LEU  12   4.851  -7.402  -1.943
   98    HA   LEU  12           HA       LEU  12   5.580 -10.061  -2.992
   99   1HB   LEU  12          2HB       LEU  12   3.351  -9.322  -1.091
  100   2HB   LEU  12          1HB       LEU  12   3.487 -10.884  -1.871
  101    HG   LEU  12           HG       LEU  12   5.600  -9.762  -0.029
  102   1HD1  LEU  12          1HD1      LEU  12   3.276 -11.586   0.555
  103   2HD1  LEU  12          2HD1      LEU  12   3.615 -10.012   1.274
  104   3HD1  LEU  12          3HD1      LEU  12   4.665 -11.384   1.622
  105   1HD2  LEU  12          1HD2      LEU  12   5.294 -12.657  -0.393
  106   2HD2  LEU  12          2HD2      LEU  12   6.752 -11.664  -0.349
  107   3HD2  LEU  12          3HD2      LEU  12   5.812 -11.786  -1.837
  108    H    CYS  13           H        CYS  13   4.886 -10.382  -4.987
  109    HA   CYS  13           HA       CYS  13   2.403  -9.072  -5.884
  110   1HB   CYS  13          2HB       CYS  13   4.875  -9.560  -7.563
  111   2HB   CYS  13          1HB       CYS  13   3.399  -8.760  -8.087
  112    H    ALA  14           H        ALA  14   1.692 -10.177  -8.078
  113    HA   ALA  14           HA       ALA  14   1.237 -12.954  -7.457
  114   1HB   ALA  14          1HB       ALA  14   0.263 -11.112  -9.614
  115   2HB   ALA  14          2HB       ALA  14  -0.651 -11.905  -8.332
  116   3HB   ALA  14          3HB       ALA  14  -0.042 -12.849  -9.693
  117    H    ASP  15           H        ASP  15   3.037 -11.129  -9.885
  118    HA   ASP  15           HA       ASP  15   4.396 -13.619 -10.671
  119   1HB   ASP  15          2HB       ASP  15   3.432 -11.396 -12.477
  120   2HB   ASP  15          1HB       ASP  15   4.610 -12.602 -12.984
  121    H    GLN  16           H        GLN  16   6.481 -13.065 -11.930
  122    HA   GLN  16           HA       GLN  16   8.190 -11.605 -10.201
  123   1HB   GLN  16          2HB       GLN  16   8.817 -13.602 -11.608
  124   2HB   GLN  16          1HB       GLN  16   8.795 -12.545 -13.011
  125   1HG   GLN  16          2HG       GLN  16  10.578 -11.197 -12.027
  126   2HG   GLN  16          1HG       GLN  16  10.596 -12.251 -10.615
  127   1HE2  GLN  16          1HE2      GLN  16  12.137 -11.593 -13.411
  128   2HE2  GLN  16          2HE2      GLN  16  12.860 -13.128 -13.728
  129    H    GLU  17           H        GLU  17   6.278 -10.687 -12.894
  130    HA   GLU  17           HA       GLU  17   7.816  -8.293 -13.504
  131   1HB   GLU  17          2HB       GLU  17   5.186  -9.330 -14.585
  132   2HB   GLU  17          1HB       GLU  17   5.965  -7.862 -15.141
  133   1HG   GLU  17          1HG       GLU  17   7.256 -10.577 -15.285
  134   2HG   GLU  17          2HG       GLU  17   6.286  -9.890 -16.584
  135    H    CYS  18           H        CYS  18   5.235  -9.287 -11.483
  136    HA   CYS  18           HA       CYS  18   3.777  -8.248 -10.096
  137   1HB   CYS  18          1HB       CYS  18   6.007  -7.293  -9.295
  138   2HB   CYS  18          2HB       CYS  18   5.602  -5.841 -10.203
  139    H    SER  19           H        SER  19   3.427  -8.045 -12.920
  140    HA   SER  19           HA       SER  19   2.128  -5.459 -13.311
  141   1HB   SER  19          2HB       SER  19   3.733  -6.210 -15.015
  142   2HB   SER  19          1HB       SER  19   2.764  -7.648 -15.274
  143    HG   SER  19           HG       SER  19   2.245  -6.110 -16.829
  144    H    HIS  20           H        HIS  20   1.213  -7.925 -11.738
  145    HA   HIS  20           HA       HIS  20  -1.444  -8.200 -12.980
  146   1HB   HIS  20          2HB       HIS  20   0.364 -10.197 -11.726
  147   2HB   HIS  20          1HB       HIS  20  -1.355 -10.374 -11.420
  148    HD1  HIS  20           HD1      HIS  20  -0.590 -12.670 -12.742
  149    HD2  HIS  20           HD2      HIS  20  -1.078  -9.221 -14.999
  150    HE1  HIS  20           HE1      HIS  20  -1.014 -13.464 -15.069
  151    HE2  HIS  20           HE2      HIS  20  -1.373 -11.363 -16.423
  152    HA   PRO  21           HA       PRO  21  -2.918  -6.745  -9.014
  153   1HB   PRO  21          1HB       PRO  21  -5.598  -7.129  -9.451
  154   2HB   PRO  21          2HB       PRO  21  -4.666  -5.797 -10.140
  155   1HG   PRO  21          1HG       PRO  21  -5.851  -8.068 -11.485
  156   2HG   PRO  21          2HG       PRO  21  -5.088  -6.635 -12.188
  157   1HD   PRO  21          1HD       PRO  21  -3.987  -9.314 -11.794
  158   2HD   PRO  21          2HD       PRO  21  -3.377  -7.976 -12.793
  159    H    ILE  22           H        ILE  22  -2.707  -7.850  -7.163
  160    HA   ILE  22           HA       ILE  22  -3.133 -10.614  -6.882
  161    HB   ILE  22           HB       ILE  22  -3.002  -8.565  -4.658
  162   1HG1  ILE  22          1HG1      ILE  22  -0.749 -10.241  -5.792
  163   2HG1  ILE  22          2HG1      ILE  22  -1.055  -8.574  -6.281
  164   1HG2  ILE  22          1HG2      ILE  22  -1.961 -11.258  -4.168
  165   2HG2  ILE  22          2HG2      ILE  22  -3.697 -11.220  -4.477
  166   3HG2  ILE  22          3HG2      ILE  22  -3.011 -10.253  -3.170
  167   1HD1  ILE  22          1HD1      ILE  22  -0.908  -8.162  -3.677
  168   2HD1  ILE  22          2HD1      ILE  22   0.530  -8.228  -4.696
  169   3HD1  ILE  22          3HD1      ILE  22   0.055  -9.637  -3.748
  170    H    SER  23           H        SER  23  -4.968  -7.991  -5.259
  171    HA   SER  23           HA       SER  23  -7.411  -9.557  -5.653
  172   1HB   SER  23          2HB       SER  23  -6.516  -8.489  -2.967
  173   2HB   SER  23          1HB       SER  23  -8.070  -9.253  -3.299
  174    HG   SER  23           HG       SER  23  -5.743 -10.408  -2.701
  175    H    MET  24           H        MET  24  -9.292  -8.413  -5.710
  176    HA   MET  24           HA       MET  24  -9.054  -5.546  -6.158
  177   1HB   MET  24          1HB       MET  24 -10.273  -7.067  -7.749
  178   2HB   MET  24          2HB       MET  24 -11.468  -7.335  -6.488
  179   1HG   MET  24          2HG       MET  24 -10.853  -4.541  -7.274
  180   2HG   MET  24          1HG       MET  24 -11.800  -5.534  -8.371
  181   1HE   MET  24          1HE       MET  24 -14.146  -6.449  -7.910
  182   2HE   MET  24          2HE       MET  24 -15.020  -6.301  -6.385
  183   3HE   MET  24          3HE       MET  24 -13.602  -7.345  -6.492
  184    H    ALA  25           H        ALA  25  -9.301  -4.239  -4.449
  185    HA   ALA  25           HA       ALA  25 -11.139  -5.099  -2.308
  186   1HB   ALA  25          1HB       ALA  25  -9.207  -5.026  -1.138
  187   2HB   ALA  25          2HB       ALA  25  -9.608  -3.313  -1.031
  188   3HB   ALA  25          3HB       ALA  25  -8.451  -3.873  -2.237
  189    H    VAL  26           H        VAL  26 -12.574  -3.679  -1.446
  190    HA   VAL  26           HA       VAL  26 -13.113  -1.266  -3.033
  191    HB   VAL  26           HB       VAL  26 -14.872  -2.583  -0.942
  192   1HG1  VAL  26          1HG2      VAL  26 -16.596  -1.264  -2.478
  193   2HG1  VAL  26          2HG2      VAL  26 -15.190  -0.229  -2.725
  194   3HG1  VAL  26          3HG2      VAL  26 -15.804  -0.508  -1.095
  195   1HG2  VAL  26          1HG1      VAL  26 -16.083  -3.005  -3.361
  196   2HG2  VAL  26          2HG1      VAL  26 -15.131  -4.196  -2.474
  197   3HG2  VAL  26          3HG1      VAL  26 -14.377  -3.237  -3.748
  198    H    ALA  27           H        ALA  27 -13.011   0.772  -2.202
  199    HA   ALA  27           HA       ALA  27 -11.587   1.168   0.261
  200   1HB   ALA  27          1HB       ALA  27 -11.123   3.205  -0.535
  201   2HB   ALA  27          2HB       ALA  27 -12.803   3.528  -0.971
  202   3HB   ALA  27          3HB       ALA  27 -11.778   2.581  -2.050
  203    H    LEU  28           H        LEU  28 -12.306   1.748   2.193
  204    HA   LEU  28           HA       LEU  28 -15.193   1.945   2.606
  205   1HB   LEU  28          2HB       LEU  28 -12.918   1.358   4.493
  206   2HB   LEU  28          1HB       LEU  28 -14.583   1.547   5.012
  207    HG   LEU  28           HG       LEU  28 -13.681  -0.558   3.045
  208   1HD1  LEU  28          1HD2      LEU  28 -12.650  -1.459   4.825
  209   2HD1  LEU  28          2HD2      LEU  28 -14.285  -1.914   5.307
  210   3HD1  LEU  28          3HD2      LEU  28 -13.540  -0.463   5.976
  211   1HD2  LEU  28          1HD1      LEU  28 -16.259   0.262   4.169
  212   2HD2  LEU  28          2HD1      LEU  28 -15.933  -1.468   4.284
  213   3HD2  LEU  28          3HD1      LEU  28 -15.895  -0.667   2.714
  214    H    GLN  29           H        GLN  29 -12.380   3.917   2.611
  215    HA   GLN  29           HA       GLN  29 -13.949   6.184   3.501
  216   1HB   GLN  29          1HB       GLN  29 -12.357   6.895   5.232
  217   2HB   GLN  29          2HB       GLN  29 -13.100   5.353   5.627
  218   1HG   GLN  29          2HG       GLN  29 -11.103   4.170   4.982
  219   2HG   GLN  29          1HG       GLN  29 -10.358   5.668   4.426
  220   1HE2  GLN  29          1HE2      GLN  29  -9.042   6.625   5.791
  221   2HE2  GLN  29          2HE2      GLN  29  -9.036   6.434   7.507
  222    H    ASP  30           H        ASP  30 -12.204   8.166   3.709
  223    HA   ASP  30           HA       ASP  30 -10.961   8.265   1.060
  224   1HB   ASP  30          1HB       ASP  30 -11.768  10.442   2.990
  225   2HB   ASP  30          2HB       ASP  30 -10.875  10.750   1.505
  226    H    TYR  31           H        TYR  31  -8.919   9.254   0.747
  227    HA   TYR  31           HA       TYR  31  -7.116   9.600   2.988
  228   1HB   TYR  31          2HB       TYR  31  -7.105   7.111   2.274
  229   2HB   TYR  31          1HB       TYR  31  -6.331   7.673   0.801
  230    HD1  TYR  31           HD1      TYR  31  -4.020   7.848   0.715
  231    HD2  TYR  31           HD2      TYR  31  -5.934   7.830   4.517
  232    HE1  TYR  31           HE1      TYR  31  -1.824   7.788   1.814
  233    HE2  TYR  31           HE2      TYR  31  -3.741   7.769   5.626
  234    HH   TYR  31           HH       TYR  31  -1.224   8.604   4.774
  235    H    MET  32           H        MET  32  -5.302  10.878   2.439
  236    HA   MET  32           HA       MET  32  -5.349  11.983  -0.295
  237   1HB   MET  32          2HB       MET  32  -4.715  13.349   2.320
  238   2HB   MET  32          1HB       MET  32  -4.281  14.034   0.765
  239   1HG   MET  32          1HG       MET  32  -6.268  15.079   1.357
  240   2HG   MET  32          2HG       MET  32  -6.708  13.875   0.159
  241   1HE   MET  32          1HE       MET  32  -8.758  15.329   1.823
  242   2HE   MET  32          2HE       MET  32  -9.776  14.146   2.646
  243   3HE   MET  32          3HE       MET  32  -9.405  13.951   0.932
  244    H    ALA  33           H        ALA  33  -3.486  12.084  -1.442
  245    HA   ALA  33           HA       ALA  33  -1.221  10.587  -0.398
  246   1HB   ALA  33          1HB       ALA  33  -1.403  11.739  -3.155
  247   2HB   ALA  33          2HB       ALA  33  -2.291  10.285  -2.702
  248   3HB   ALA  33          3HB       ALA  33  -0.531  10.311  -2.602
  249    HA   PRO  34           HA       PRO  34   0.835  14.565   0.423
  250   1HB   PRO  34          2HB       PRO  34   2.893  13.009   1.765
  251   2HB   PRO  34          1HB       PRO  34   1.757  14.171   2.451
  252   1HG   PRO  34          2HG       PRO  34   1.626  11.517   2.959
  253   2HG   PRO  34          1HG       PRO  34   0.187  12.560   2.914
  254   1HD   PRO  34          2HD       PRO  34   1.262  10.718   0.800
  255   2HD   PRO  34          1HD       PRO  34  -0.411  10.951   1.347
  256    H    ASP  35           H        ASP  35   3.020  11.756  -0.086
  257    HA   ASP  35           HA       ASP  35   4.742  13.420  -1.740
  258   1HB   ASP  35          2HB       ASP  35   6.308  11.494  -1.649
  259   2HB   ASP  35          1HB       ASP  35   5.859  12.108  -0.063
  260    H    CYS  36           H        CYS  36   5.799  12.293  -3.641
  261    HA   CYS  36           HA       CYS  36   3.913  11.948  -5.677
  262   1HB   CYS  36          2HB       CYS  36   5.773  11.578  -7.131
  263   2HB   CYS  36          1HB       CYS  36   6.273  12.764  -5.930
  264    H    ARG  37           H        ARG  37   5.374   9.529  -3.586
  265    HA   ARG  37           HA       ARG  37   4.478   7.450  -5.434
  266   1HB   ARG  37          2HB       ARG  37   5.755   5.868  -3.989
  267   2HB   ARG  37          1HB       ARG  37   6.718   7.096  -4.791
  268   1HG   ARG  37          2HG       ARG  37   6.725   8.386  -2.661
  269   2HG   ARG  37          1HG       ARG  37   5.929   7.009  -1.893
  270   1HD   ARG  37          2HD       ARG  37   7.993   6.258  -1.474
  271   2HD   ARG  37          1HD       ARG  37   8.041   5.828  -3.181
  272    HE   ARG  37           HE       ARG  37   9.545   7.874  -1.877
  273   1HH1  ARG  37          1HH1      ARG  37   8.263   6.911  -5.004
  274   2HH1  ARG  37          2HH1      ARG  37   9.301   7.983  -5.878
  275   1HH2  ARG  37          1HH2      ARG  37  10.895   9.252  -3.050
  276   2HH2  ARG  37          2HH2      ARG  37  10.790   9.299  -4.779
  277    H    PHE  38           H        PHE  38   2.752   9.079  -3.471
  278    HA   PHE  38           HA       PHE  38   1.489   6.736  -2.204
  279   1HB   PHE  38          2HB       PHE  38   1.882   9.482  -1.254
  280   2HB   PHE  38          1HB       PHE  38   0.233   8.900  -1.062
  281    HD1  PHE  38           HD1      PHE  38   3.661   7.424  -0.597
  282    HD2  PHE  38           HD2      PHE  38  -0.216   8.104   1.025
  283    HE1  PHE  38           HE1      PHE  38   4.302   6.205   1.439
  284    HE2  PHE  38           HE2      PHE  38   0.424   6.889   3.065
  285    HZ   PHE  38           HZ       PHE  38   2.684   5.937   3.274
  286    H    LEU  39           H        LEU  39  -0.958   6.832  -2.141
  287    HA   LEU  39           HA       LEU  39  -1.961   8.045  -4.640
  288   1HB   LEU  39          2HB       LEU  39  -1.601   5.641  -4.862
  289   2HB   LEU  39          1HB       LEU  39  -2.621   5.343  -3.473
  290    HG   LEU  39           HG       LEU  39  -4.578   6.150  -4.728
  291   1HD1  LEU  39          1HD2      LEU  39  -3.474   7.728  -6.232
  292   2HD1  LEU  39          2HD2      LEU  39  -4.422   6.543  -7.134
  293   3HD1  LEU  39          3HD2      LEU  39  -2.667   6.389  -7.051
  294   1HD2  LEU  39          1HD1      LEU  39  -3.624   4.248  -6.682
  295   2HD2  LEU  39          2HD1      LEU  39  -4.880   4.072  -5.456
  296   3HD2  LEU  39          3HD1      LEU  39  -3.195   3.767  -5.040
  297    H    THR  40           H        THR  40  -3.863   9.074  -4.634
  298    HA   THR  40           HA       THR  40  -5.193   9.517  -2.076
  299    HB   THR  40           HB       THR  40  -5.662  10.821  -4.777
  300    HG1  THR  40           HG1      THR  40  -4.207  12.254  -4.223
  301   1HG2  THR  40          1HG2      THR  40  -7.430  10.924  -2.778
  302   2HG2  THR  40          2HG2      THR  40  -7.119  12.279  -3.862
  303   3HG2  THR  40          3HG2      THR  40  -6.351  12.226  -2.274
  304    H    ILE  41           H        ILE  41  -7.075   8.605  -1.540
  305    HA   ILE  41           HA       ILE  41  -8.664   7.275  -3.637
  306    HB   ILE  41           HB       ILE  41  -7.737   6.183  -0.980
  307   1HG1  ILE  41          1HG1      ILE  41  -7.830   4.861  -3.693
  308   2HG1  ILE  41          2HG1      ILE  41  -6.476   5.869  -3.181
  309   1HG2  ILE  41          1HG2      ILE  41  -9.258   4.195  -1.518
  310   2HG2  ILE  41          2HG2      ILE  41 -10.142   5.310  -2.560
  311   3HG2  ILE  41          3HG2      ILE  41 -10.012   5.634  -0.831
  312   1HD1  ILE  41          1HD1      ILE  41  -6.747   4.107  -1.094
  313   2HD1  ILE  41          2HD1      ILE  41  -5.582   3.985  -2.413
  314   3HD1  ILE  41          3HD1      ILE  41  -7.116   3.118  -2.508
  315    H    HIS  42           H        HIS  42 -10.903   7.161  -3.322
  316    HA   HIS  42           HA       HIS  42 -11.985   8.921  -1.220
  317   1HB   HIS  42          2HB       HIS  42 -13.069   8.429  -4.006
  318   2HB   HIS  42          1HB       HIS  42 -13.876   9.382  -2.768
  319    HD1  HIS  42           HD1      HIS  42 -12.053  11.386  -1.819
  320    HD2  HIS  42           HD2      HIS  42 -11.782  10.034  -5.737
  321    HE1  HIS  42           HE1      HIS  42 -10.833  13.193  -3.069
  322    HE2  HIS  42           HE2      HIS  42 -10.775  12.399  -5.459
  323    H    ARG  43           H        ARG  43 -13.973   8.275  -0.250
  324    HA   ARG  43           HA       ARG  43 -14.173   5.542   0.331
  325   1HB   ARG  43          2HB       ARG  43 -14.950   7.316   1.839
  326   2HB   ARG  43          1HB       ARG  43 -16.239   7.717   0.720
  327   1HG   ARG  43          2HG       ARG  43 -17.225   5.507   1.077
  328   2HG   ARG  43          1HG       ARG  43 -15.925   5.117   2.204
  329   1HD   ARG  43          2HD       ARG  43 -16.616   7.034   3.603
  330   2HD   ARG  43          1HD       ARG  43 -17.968   7.315   2.506
  331    HE   ARG  43           HE       ARG  43 -18.046   4.656   3.380
  332   1HH1  ARG  43          1HH1      ARG  43 -18.537   7.884   4.659
  333   2HH1  ARG  43          2HH1      ARG  43 -19.650   7.358   5.874
  334   1HH2  ARG  43          1HH2      ARG  43 -19.508   3.984   4.981
  335   2HH2  ARG  43          2HH2      ARG  43 -20.201   5.151   6.058
  336    H    GLY  44           H        GLY  44 -14.837   3.944  -0.930
  337   1HA   GLY  44          2HA       GLY  44 -16.648   2.794  -1.983
  338   2HA   GLY  44          1HA       GLY  44 -17.263   4.338  -2.543
  339    H    GLN  45           H        GLN  45 -13.915   4.217  -3.068
  340    HA   GLN  45           HA       GLN  45 -14.397   3.811  -5.903
  341   1HB   GLN  45          1HB       GLN  45 -11.924   4.694  -4.406
  342   2HB   GLN  45          2HB       GLN  45 -11.971   4.436  -6.145
  343   1HG   GLN  45          2HG       GLN  45 -13.911   6.098  -6.163
  344   2HG   GLN  45          1HG       GLN  45 -13.385   6.522  -4.533
  345   1HE2  GLN  45          1HE2      GLN  45 -13.176   7.437  -7.631
  346   2HE2  GLN  45          2HE2      GLN  45 -11.644   8.233  -7.622
  347    H    VAL  46           H        VAL  46 -13.332   2.377  -7.225
  348    HA   VAL  46           HA       VAL  46 -12.758  -0.208  -6.059
  349    HB   VAL  46           HB       VAL  46 -12.657   0.720  -8.948
  350   1HG1  VAL  46          1HG1      VAL  46 -11.656  -1.646  -7.820
  351   2HG1  VAL  46          2HG1      VAL  46 -11.868  -1.268  -9.531
  352   3HG1  VAL  46          3HG1      VAL  46 -13.154  -2.085  -8.639
  353   1HG2  VAL  46          1HG2      VAL  46 -14.804  -0.716  -9.026
  354   2HG2  VAL  46          2HG2      VAL  46 -14.891   0.922  -8.376
  355   3HG2  VAL  46          3HG2      VAL  46 -14.842  -0.460  -7.281
  356    H    VAL  47           H        VAL  47 -10.757  -0.690  -5.316
  357    HA   VAL  47           HA       VAL  47  -8.460   0.561  -6.681
  358    HB   VAL  47           HB       VAL  47  -8.475  -0.183  -3.754
  359   1HG1  VAL  47          1HG1      VAL  47  -6.426   0.920  -3.592
  360   2HG1  VAL  47          2HG1      VAL  47  -6.655   1.772  -5.120
  361   3HG1  VAL  47          3HG1      VAL  47  -6.308   0.042  -5.117
  362   1HG2  VAL  47          1HG2      VAL  47 -10.130   1.664  -4.423
  363   2HG2  VAL  47          2HG2      VAL  47  -8.698   2.636  -4.761
  364   3HG2  VAL  47          3HG2      VAL  47  -8.978   2.014  -3.134
  365    H    TYR  48           H        TYR  48  -7.268  -0.852  -7.732
  366    HA   TYR  48           HA       TYR  48  -7.337  -3.673  -7.048
  367   1HB   TYR  48          2HB       TYR  48  -6.230  -2.113  -9.367
  368   2HB   TYR  48          1HB       TYR  48  -5.696  -3.755  -9.084
  369    HD1  TYR  48           HD1      TYR  48  -9.205  -2.538  -8.612
  370    HD2  TYR  48           HD2      TYR  48  -6.498  -4.749 -11.043
  371    HE1  TYR  48           HE1      TYR  48 -11.088  -3.382  -9.943
  372    HE2  TYR  48           HE2      TYR  48  -8.380  -5.601 -12.370
  373    HH   TYR  48           HH       TYR  48 -10.967  -4.524 -12.796
  374    H    VAL  49           H        VAL  49  -5.868  -4.600  -5.760
  375    HA   VAL  49           HA       VAL  49  -3.501  -3.112  -4.950
  376    HB   VAL  49           HB       VAL  49  -4.387  -5.861  -4.033
  377   1HG1  VAL  49          1HG1      VAL  49  -2.184  -5.677  -3.355
  378   2HG1  VAL  49          2HG1      VAL  49  -3.052  -5.038  -1.958
  379   3HG1  VAL  49          3HG1      VAL  49  -2.296  -3.934  -3.107
  380   1HG2  VAL  49          1HG2      VAL  49  -6.174  -4.595  -3.335
  381   2HG2  VAL  49          2HG2      VAL  49  -5.208  -3.131  -3.157
  382   3HG2  VAL  49          3HG2      VAL  49  -5.085  -4.420  -1.959
  383    H    PHE  50           H        PHE  50  -1.465  -3.515  -5.651
  384    HA   PHE  50           HA       PHE  50  -1.094  -5.794  -7.475
  385   1HB   PHE  50          2HB       PHE  50   0.084  -3.030  -7.491
  386   2HB   PHE  50          1HB       PHE  50   0.882  -4.354  -8.328
  387    HD1  PHE  50           HD1      PHE  50  -2.400  -2.585  -8.131
  388    HD2  PHE  50           HD2      PHE  50   0.301  -4.874 -10.495
  389    HE1  PHE  50           HE1      PHE  50  -3.824  -2.226 -10.103
  390    HE2  PHE  50           HE2      PHE  50  -1.119  -4.516 -12.469
  391    HZ   PHE  50           HZ       PHE  50  -3.184  -3.191 -12.276
  392    H    SER  51           H        SER  51   0.329  -4.074  -4.735
  393    HA   SER  51           HA       SER  51   2.041  -6.393  -4.266
  394   1HB   SER  51          2HB       SER  51   4.024  -4.950  -3.865
  395   2HB   SER  51          1HB       SER  51   3.492  -4.932  -5.542
  396    HG   SER  51           HG       SER  51   3.981  -2.834  -4.550
  397    H    LYS  52           H        LYS  52   2.740  -6.703  -2.185
  398    HA   LYS  52           HA       LYS  52   1.627  -4.901  -0.128
  399   1HB   LYS  52          1HB       LYS  52   2.028  -7.857   0.324
  400   2HB   LYS  52          2HB       LYS  52   1.099  -6.730   1.286
  401   1HG   LYS  52          1HG       LYS  52  -0.526  -6.541  -0.570
  402   2HG   LYS  52          2HG       LYS  52   0.384  -7.770  -1.447
  403   1HD   LYS  52          1HD       LYS  52  -0.047  -9.363   0.336
  404   2HD   LYS  52          2HD       LYS  52  -0.902  -8.121   1.255
  405   1HE   LYS  52          1HE       LYS  52  -1.691  -9.273  -1.416
  406   2HE   LYS  52          2HE       LYS  52  -2.496  -9.511   0.131
  407   1HZ   LYS  52          1HZ       LYS  52  -3.794  -7.862  -0.617
  408   2HZ   LYS  52          2HZ       LYS  52  -2.624  -7.254  -1.676
  409   3HZ   LYS  52          3HZ       LYS  52  -2.556  -6.868  -0.031
  410    H    LEU  53           H        LEU  53   3.259  -3.865   0.821
  411    HA   LEU  53           HA       LEU  53   5.964  -4.589   0.530
  412   1HB   LEU  53          1HB       LEU  53   4.796  -2.721   2.586
  413   2HB   LEU  53          2HB       LEU  53   6.455  -2.747   2.014
  414    HG   LEU  53           HG       LEU  53   4.065  -2.070   0.290
  415   1HD1  LEU  53          1HD2      LEU  53   4.458   0.178   0.640
  416   2HD1  LEU  53          2HD2      LEU  53   6.091  -0.095   1.249
  417   3HD1  LEU  53          3HD2      LEU  53   4.696  -0.510   2.248
  418   1HD2  LEU  53          1HD1      LEU  53   6.377  -0.974  -0.799
  419   2HD2  LEU  53          2HD1      LEU  53   5.478  -2.368  -1.405
  420   3HD2  LEU  53          3HD1      LEU  53   6.842  -2.604  -0.311
  421    H    LYS  54           H        LYS  54   7.524  -5.254   2.011
  422    HA   LYS  54           HA       LYS  54   6.494  -6.755   4.335
  423   1HB   LYS  54          1HB       LYS  54   8.844  -7.410   2.548
  424   2HB   LYS  54          2HB       LYS  54   8.439  -8.276   4.020
  425   1HG   LYS  54          2HG       LYS  54   6.330  -8.977   3.044
  426   2HG   LYS  54          1HG       LYS  54   6.694  -8.063   1.578
  427   1HD   LYS  54          1HD       LYS  54   7.289 -10.268   1.061
  428   2HD   LYS  54          2HD       LYS  54   8.815  -9.475   1.429
  429   1HE   LYS  54          2HE       LYS  54   8.761 -10.412   3.689
  430   2HE   LYS  54          1HE       LYS  54   7.230 -11.208   3.324
  431   1HZ   LYS  54          1HZ       LYS  54   8.298 -12.565   1.700
  432   2HZ   LYS  54          2HZ       LYS  54   9.201 -12.670   3.127
  433   3HZ   LYS  54          3HZ       LYS  54   9.753 -11.713   1.845
  434    H    GLY  55           H        GLY  55   9.199  -4.866   3.041
  435   1HA   GLY  55          1HA       GLY  55  10.758  -4.819   5.408
  436   2HA   GLY  55          2HA       GLY  55  10.903  -3.705   4.059
  437    H    ARG  56           H        ARG  56   9.777  -4.201   7.225
  438    HA   ARG  56           HA       ARG  56   8.600  -3.041   8.759
  439   1HB   ARG  56          2HB       ARG  56   9.485  -0.870   9.275
  440   2HB   ARG  56          1HB       ARG  56  10.787  -1.926   8.759
  441   1HG   ARG  56          1HG       ARG  56  10.652  -0.846   6.506
  442   2HG   ARG  56          2HG       ARG  56   9.531   0.321   7.213
  443   1HD   ARG  56          2HD       ARG  56  11.282   0.832   8.927
  444   2HD   ARG  56          1HD       ARG  56  12.389  -0.186   8.013
  445    HE   ARG  56           HE       ARG  56  12.683   1.535   6.548
  446   1HH1  ARG  56          1HH1      ARG  56   9.714   2.168   8.317
  447   2HH1  ARG  56          2HH1      ARG  56   9.481   3.722   7.592
  448   1HH2  ARG  56          1HH2      ARG  56  12.357   3.578   5.617
  449   2HH2  ARG  56          2HH2      ARG  56  10.973   4.518   6.066
  450    H    GLY  57           H        GLY  57   7.234  -3.233   6.158
  451   1HA   GLY  57          1HA       GLY  57   5.499  -0.851   6.324
  452   2HA   GLY  57          2HA       GLY  57   5.693  -1.847   4.886
  453    H    ARG  58           H        ARG  58   5.299  -4.292   5.522
  454    HA   ARG  58           HA       ARG  58   3.763  -5.903   5.772
  455   1HB   ARG  58          2HB       ARG  58   4.640  -5.534   8.098
  456   2HB   ARG  58          1HB       ARG  58   3.204  -4.575   8.420
  457   1HG   ARG  58          2HG       ARG  58   2.836  -6.741   9.290
  458   2HG   ARG  58          1HG       ARG  58   1.827  -6.578   7.856
  459   1HD   ARG  58          2HD       ARG  58   2.856  -8.764   7.873
  460   2HD   ARG  58          1HD       ARG  58   3.535  -7.807   6.557
  461    HE   ARG  58           HE       ARG  58   5.173  -7.502   8.805
  462   1HH1  ARG  58          1HH1      ARG  58   4.272 -10.007   6.521
  463   2HH1  ARG  58          2HH1      ARG  58   5.774 -10.854   6.683
  464   1HH2  ARG  58          1HH2      ARG  58   7.135  -8.625   9.002
  465   2HH2  ARG  58          2HH2      ARG  58   7.394 -10.072   8.086
  466    H    LEU  59           H        LEU  59   2.016  -3.366   7.521
  467    HA   LEU  59           HA       LEU  59  -0.470  -4.068   6.294
  468   1HB   LEU  59          2HB       LEU  59   0.254  -1.746   8.085
  469   2HB   LEU  59          1HB       LEU  59  -1.377  -2.175   7.610
  470    HG   LEU  59           HG       LEU  59   0.437  -4.004   9.192
  471   1HD1  LEU  59          1HD1      LEU  59  -0.500  -3.246  11.169
  472   2HD1  LEU  59          2HD1      LEU  59  -1.867  -2.489  10.351
  473   3HD1  LEU  59          3HD1      LEU  59  -0.267  -1.753  10.260
  474   1HD2  LEU  59          1HD2      LEU  59  -2.479  -4.087   8.452
  475   2HD2  LEU  59          2HD2      LEU  59  -1.802  -5.042   9.771
  476   3HD2  LEU  59          3HD2      LEU  59  -1.232  -5.289   8.120
  477    H    PHE  60           H        PHE  60   2.094  -2.112   5.299
  478    HA   PHE  60           HA       PHE  60   0.414  -0.222   3.857
  479   1HB   PHE  60          2HB       PHE  60   3.397  -0.511   4.164
  480   2HB   PHE  60          1HB       PHE  60   2.699   0.576   2.972
  481    HD1  PHE  60           HD1      PHE  60   2.180   2.742   3.561
  482    HD2  PHE  60           HD2      PHE  60   2.611  -0.175   6.634
  483    HE1  PHE  60           HE1      PHE  60   1.996   4.509   5.262
  484    HE2  PHE  60           HE2      PHE  60   2.422   1.589   8.338
  485    HZ   PHE  60           HZ       PHE  60   2.113   3.934   7.653
  486    H    TRP  61           H        TRP  61  -0.405  -0.652   1.968
  487    HA   TRP  61           HA       TRP  61   0.867  -2.667   0.236
  488   1HB   TRP  61          2HB       TRP  61  -2.021  -1.788   0.475
  489   2HB   TRP  61          1HB       TRP  61  -1.434  -2.834  -0.809
  490    HD1  TRP  61           HD1      TRP  61   0.478  -4.267   1.778
  491    HE1  TRP  61           HE1      TRP  61  -0.729  -6.157   3.023
  492    HE3  TRP  61           HE3      TRP  61  -4.339  -3.269   0.341
  493    HZ2  TRP  61           HZ2      TRP  61  -3.351  -7.103   3.372
  494    HZ3  TRP  61           HZ3      TRP  61  -6.134  -4.723   1.187
  495    HH2  TRP  61           HH2      TRP  61  -5.650  -6.598   2.670
  496    H    GLY  62           H        GLY  62  -0.146  -2.186  -2.188
  497   1HA   GLY  62          2HA       GLY  62  -0.133   0.624  -2.868
  498   2HA   GLY  62          1HA       GLY  62   1.369  -0.226  -3.330
  499    H    GLY  63           H        GLY  63  -0.921   1.034  -4.888
  500   1HA   GLY  63          2HA       GLY  63  -0.918  -0.775  -7.049
  501   2HA   GLY  63          1HA       GLY  63  -2.442  -0.919  -6.187
  502    H    SER  64           H        SER  64  -3.697  -0.132  -7.842
  503    HA   SER  64           HA       SER  64  -3.518   2.769  -8.282
  504   1HB   SER  64          1HB       SER  64  -4.080   2.459 -10.668
  505   2HB   SER  64          2HB       SER  64  -2.541   1.700 -10.262
  506    HG   SER  64           HG       SER  64  -3.987   0.390 -11.555
  507    H    VAL  65           H        VAL  65  -5.607   3.597  -9.335
  508    HA   VAL  65           HA       VAL  65  -7.906   2.178  -8.145
  509    HB   VAL  65           HB       VAL  65  -7.480   5.156  -8.482
  510   1HG1  VAL  65          1HG2      VAL  65  -9.944   3.594  -8.060
  511   2HG1  VAL  65          2HG2      VAL  65  -9.724   5.208  -8.737
  512   3HG1  VAL  65          3HG2      VAL  65  -9.724   4.977  -6.987
  513   1HG2  VAL  65          1HG1      VAL  65  -8.122   3.905  -5.876
  514   2HG2  VAL  65          2HG1      VAL  65  -7.104   5.297  -6.249
  515   3HG2  VAL  65          3HG1      VAL  65  -6.498   3.662  -6.519
  516    H    GLN  66           H        GLN  66  -9.461   1.528  -9.467
  517    HA   GLN  66           HA       GLN  66  -9.368   2.161 -12.278
  518   1HB   GLN  66          2HB       GLN  66 -11.197   0.417 -10.620
  519   2HB   GLN  66          1HB       GLN  66 -11.396   0.637 -12.354
  520   1HG   GLN  66          2HG       GLN  66  -8.811  -0.300 -11.181
  521   2HG   GLN  66          1HG       GLN  66 -10.131  -1.415 -11.508
  522   1HE2  GLN  66          1HE2      GLN  66 -10.725   0.544 -13.896
  523   2HE2  GLN  66          2HE2      GLN  66  -9.650  -0.039 -15.106
  524    H    GLY  67           H        GLY  67 -12.492   1.933 -10.670
  525   1HA   GLY  67          1HA       GLY  67 -14.163   3.466 -10.301
  526   2HA   GLY  67          2HA       GLY  67 -13.002   4.746 -10.616
  527    H    ASP  68           H        ASP  68 -12.484   5.194 -12.858
  528    HA   ASP  68           HA       ASP  68 -14.752   4.673 -14.655
  529   1HB   ASP  68          2HB       ASP  68 -13.088   7.163 -14.313
  530   2HB   ASP  68          1HB       ASP  68 -14.161   6.913 -15.685
  531    H    TYR  69           H        TYR  69 -11.324   5.047 -14.344
  532    HA   TYR  69           HA       TYR  69  -9.524   4.479 -15.593
  533   1HB   TYR  69          2HB       TYR  69 -10.569   2.234 -15.404
  534   2HB   TYR  69          1HB       TYR  69 -11.419   2.520 -16.916
  535    HD1  TYR  69           HD1      TYR  69 -10.537   1.449 -18.744
  536    HD2  TYR  69           HD2      TYR  69  -7.871   2.729 -15.682
  537    HE1  TYR  69           HE1      TYR  69  -8.650   0.492 -19.994
  538    HE2  TYR  69           HE2      TYR  69  -5.977   1.777 -16.928
  539    HH   TYR  69           HH       TYR  69  -5.753   1.219 -19.796
  540    H    TYR  70           H        TYR  70  -9.152   6.371 -16.683
  541    HA   TYR  70           HA       TYR  70  -9.962   6.362 -19.494
  542   1HB   TYR  70          1HB       TYR  70 -10.024   8.942 -19.304
  543   2HB   TYR  70          2HB       TYR  70 -11.403   8.010 -18.744
  544    HD1  TYR  70           HD1      TYR  70  -8.270   9.588 -17.412
  545    HD2  TYR  70           HD2      TYR  70 -12.311   8.466 -16.688
  546    HE1  TYR  70           HE1      TYR  70  -8.196  10.731 -15.236
  547    HE2  TYR  70           HE2      TYR  70 -12.243   9.605 -14.512
  548    HH   TYR  70           HH       TYR  70  -9.807  11.755 -13.637
  549    H    GLY  71           H        GLY  71  -7.441   6.103 -17.505
  550   1HA   GLY  71          1HA       GLY  71  -5.212   5.942 -18.237
  551   2HA   GLY  71          2HA       GLY  71  -5.593   7.015 -19.571
  552    H    ASP  72           H        ASP  72  -5.676   7.232 -16.001
  553    HA   ASP  72           HA       ASP  72  -3.627   9.217 -15.911
  554   1HB   ASP  72          1HB       ASP  72  -5.606  10.559 -16.729
  555   2HB   ASP  72          2HB       ASP  72  -6.407  10.190 -15.206
  556    H    LEU  73           H        LEU  73  -6.388   7.723 -14.302
  557    HA   LEU  73           HA       LEU  73  -5.174   8.069 -11.691
  558   1HB   LEU  73          2HB       LEU  73  -7.307   6.619 -11.067
  559   2HB   LEU  73          1HB       LEU  73  -7.382   8.348 -11.317
  560    HG   LEU  73           HG       LEU  73  -8.178   7.917 -13.656
  561   1HD1  LEU  73          1HD2      LEU  73  -8.057   5.883 -14.530
  562   2HD1  LEU  73          2HD2      LEU  73  -9.217   5.314 -13.328
  563   3HD1  LEU  73          3HD2      LEU  73  -7.487   5.229 -12.994
  564   1HD2  LEU  73          1HD1      LEU  73 -10.395   7.672 -13.013
  565   2HD2  LEU  73          2HD1      LEU  73  -9.617   8.281 -11.553
  566   3HD2  LEU  73          3HD1      LEU  73  -9.996   6.565 -11.699
  567    H    ALA  74           H        ALA  74  -5.220   5.674 -14.132
  568    HA   ALA  74           HA       ALA  74  -4.670   3.470 -12.325
  569   1HB   ALA  74          1HB       ALA  74  -5.902   2.838 -14.230
  570   2HB   ALA  74          2HB       ALA  74  -4.272   2.209 -14.481
  571   3HB   ALA  74          3HB       ALA  74  -4.793   3.672 -15.320
  572    H    ALA  75           H        ALA  75  -2.927   5.877 -14.028
  573    HA   ALA  75           HA       ALA  75  -0.421   4.474 -14.169
  574   1HB   ALA  75          1HB       ALA  75   0.465   6.440 -15.098
  575   2HB   ALA  75          2HB       ALA  75  -0.761   7.456 -14.340
  576   3HB   ALA  75          3HB       ALA  75  -1.202   6.390 -15.675
  577    H    ARG  76           H        ARG  76   1.504   5.997 -13.214
  578    HA   ARG  76           HA       ARG  76   2.753   6.085 -11.306
  579   1HB   ARG  76          2HB       ARG  76   2.137   8.050  -9.874
  580   2HB   ARG  76          1HB       ARG  76   2.260   8.387 -11.591
  581   1HG   ARG  76          2HG       ARG  76  -0.095   8.551 -11.820
  582   2HG   ARG  76          1HG       ARG  76  -0.363   7.895 -10.204
  583   1HD   ARG  76          2HD       ARG  76  -0.696  10.294 -10.202
  584   2HD   ARG  76          1HD       ARG  76   0.719   9.874  -9.238
  585    HE   ARG  76           HE       ARG  76   1.559  10.459 -11.845
  586   1HH1  ARG  76          1HH1      ARG  76   0.204  12.122  -9.070
  587   2HH1  ARG  76          2HH1      ARG  76   0.939  13.636  -9.475
  588   1HH2  ARG  76          1HH2      ARG  76   2.513  12.453 -12.359
  589   2HH2  ARG  76          2HH2      ARG  76   2.244  13.824 -11.336
  590    H    LEU  77           H        LEU  77   2.423   4.012 -10.467
  591    HA   LEU  77           HA       LEU  77   0.359   3.242  -8.744
  592   1HB   LEU  77          2HB       LEU  77   3.213   2.278  -8.929
  593   2HB   LEU  77          1HB       LEU  77   1.989   1.501  -7.945
  594    HG   LEU  77           HG       LEU  77   1.732   1.838 -10.937
  595   1HD1  LEU  77          1HD1      LEU  77   3.058   0.094 -11.279
  596   2HD1  LEU  77          2HD1      LEU  77   2.202  -0.859 -10.067
  597   3HD1  LEU  77          3HD1      LEU  77   3.537   0.186  -9.584
  598   1HD2  LEU  77          1HD2      LEU  77  -0.393   1.340 -10.342
  599   2HD2  LEU  77          2HD2      LEU  77   0.093   0.637  -8.796
  600   3HD2  LEU  77          3HD2      LEU  77   0.247  -0.305 -10.281
  601    H    GLY  78           H        GLY  78  -0.153   3.814  -6.753
  602   1HA   GLY  78          1HA       GLY  78   1.927   5.129  -5.108
  603   2HA   GLY  78          2HA       GLY  78   0.234   5.595  -5.091
  604    H    TYR  79           H        TYR  79   1.469   5.068  -2.743
  605    HA   TYR  79           HA       TYR  79   0.634   2.357  -2.003
  606   1HB   TYR  79          2HB       TYR  79   2.378   4.282  -0.444
  607   2HB   TYR  79          1HB       TYR  79   2.042   2.605  -0.025
  608    HD1  TYR  79           HD1      TYR  79   4.694   4.300  -0.737
  609    HD2  TYR  79           HD2      TYR  79   2.404   1.311  -2.725
  610    HE1  TYR  79           HE1      TYR  79   6.687   3.618  -2.004
  611    HE2  TYR  79           HE2      TYR  79   4.386   0.625  -4.001
  612    HH   TYR  79           HH       TYR  79   7.175   2.469  -4.194
  613    H    PHE  80           H        PHE  80  -0.634   1.993  -0.169
  614    HA   PHE  80           HA       PHE  80  -1.909   4.217   1.182
  615   1HB   PHE  80          2HB       PHE  80  -4.212   3.408   0.595
  616   2HB   PHE  80          1HB       PHE  80  -3.325   4.069  -0.775
  617    HD1  PHE  80           HD1      PHE  80  -4.665   0.993   0.747
  618    HD2  PHE  80           HD2      PHE  80  -2.697   2.680  -2.633
  619    HE1  PHE  80           HE1      PHE  80  -5.096  -1.064  -0.528
  620    HE2  PHE  80           HE2      PHE  80  -3.127   0.624  -3.910
  621    HZ   PHE  80           HZ       PHE  80  -4.327  -1.252  -2.858
  622    HA   PRO  81           HA       PRO  81  -1.928   1.192   4.470
  623   1HB   PRO  81          2HB       PRO  81  -4.285   2.421   5.689
  624   2HB   PRO  81          1HB       PRO  81  -2.618   2.395   6.268
  625   1HG   PRO  81          2HG       PRO  81  -3.797   4.652   5.376
  626   2HG   PRO  81          1HG       PRO  81  -2.063   4.339   5.166
  627   1HD   PRO  81          2HD       PRO  81  -4.298   4.023   3.189
  628   2HD   PRO  81          1HD       PRO  81  -2.679   4.721   2.957
  629    H    SER  82           H        SER  82  -2.852  -0.758   4.922
  630    HA   SER  82           HA       SER  82  -4.908  -1.747   3.250
  631   1HB   SER  82          2HB       SER  82  -4.660  -3.829   4.490
  632   2HB   SER  82          1HB       SER  82  -3.069  -3.128   4.211
  633    HG   SER  82           HG       SER  82  -4.407  -3.562   6.568
  634    H    SER  83           H        SER  83  -4.946  -0.177   6.303
  635    HA   SER  83           HA       SER  83  -7.370  -1.177   7.347
  636   1HB   SER  83          2HB       SER  83  -7.274   0.782   8.850
  637   2HB   SER  83          1HB       SER  83  -5.732  -0.070   8.763
  638    HG   SER  83           HG       SER  83  -5.868   2.385   8.519
  639    H    ILE  84           H        ILE  84  -6.795   1.118   4.796
  640    HA   ILE  84           HA       ILE  84  -9.449   2.286   5.144
  641    HB   ILE  84           HB       ILE  84  -8.960   3.835   3.401
  642   1HG1  ILE  84          1HG1      ILE  84  -6.248   2.581   3.011
  643   2HG1  ILE  84          2HG1      ILE  84  -7.634   2.146   2.011
  644   1HG2  ILE  84          1HG2      ILE  84  -7.265   5.087   4.446
  645   2HG2  ILE  84          2HG2      ILE  84  -6.466   3.641   5.061
  646   3HG2  ILE  84          3HG2      ILE  84  -8.025   4.135   5.721
  647   1HD1  ILE  84          1HD1      ILE  84  -5.904   4.448   1.873
  648   2HD1  ILE  84          2HD1      ILE  84  -7.607   4.900   1.961
  649   3HD1  ILE  84          3HD1      ILE  84  -7.048   3.815   0.688
  650    H    VAL  85           H        VAL  85  -8.282  -0.468   3.710
  651    HA   VAL  85           HA       VAL  85 -10.515  -0.446   1.782
  652    HB   VAL  85           HB       VAL  85  -9.248  -1.886   0.259
  653   1HG1  VAL  85          1HG1      VAL  85  -7.834  -0.230  -0.689
  654   2HG1  VAL  85          2HG1      VAL  85  -7.623   0.571   0.867
  655   3HG1  VAL  85          3HG1      VAL  85  -9.192   0.609   0.061
  656   1HG2  VAL  85          1HG2      VAL  85  -7.680  -3.106   1.386
  657   2HG2  VAL  85          2HG2      VAL  85  -7.207  -1.753   2.417
  658   3HG2  VAL  85          3HG2      VAL  85  -6.648  -1.824   0.746
  659    H    ARG  86           H        ARG  86 -11.150  -2.682   1.090
  660    HA   ARG  86           HA       ARG  86 -10.816  -4.693   3.188
  661   1HB   ARG  86          1HB       ARG  86 -12.875  -3.433   3.725
  662   2HB   ARG  86          2HB       ARG  86 -13.505  -3.793   2.125
  663   1HG   ARG  86          1HG       ARG  86 -13.512  -6.180   2.663
  664   2HG   ARG  86          2HG       ARG  86 -12.873  -5.818   4.267
  665   1HD   ARG  86          2HD       ARG  86 -15.501  -4.816   3.178
  666   2HD   ARG  86          1HD       ARG  86 -15.314  -6.192   4.264
  667    HE   ARG  86           HE       ARG  86 -14.089  -3.970   5.440
  668   1HH1  ARG  86          1HH1      ARG  86 -17.315  -5.062   4.601
  669   2HH1  ARG  86          2HH1      ARG  86 -18.073  -4.165   5.873
  670   1HH2  ARG  86          1HH2      ARG  86 -15.102  -2.802   7.102
  671   2HH2  ARG  86          2HH2      ARG  86 -16.822  -2.886   7.287
  672    H    GLU  87           H        GLU  87 -10.144  -6.479   2.234
  673    HA   GLU  87           HA       GLU  87 -10.418  -6.910  -0.590
  674   1HB   GLU  87          1HB       GLU  87  -9.041  -8.250   1.666
  675   2HB   GLU  87          2HB       GLU  87  -9.459  -9.266   0.293
  676   1HG   GLU  87          2HG       GLU  87  -8.262  -7.637  -1.170
  677   2HG   GLU  87          1HG       GLU  87  -7.720  -6.817   0.294
  678    H    ASP  88           H        ASP  88 -11.910  -8.058  -1.641
  679    HA   ASP  88           HA       ASP  88 -13.732  -9.750  -0.063
  680   1HB   ASP  88          1HB       ASP  88 -14.376  -7.906  -2.366
  681   2HB   ASP  88          2HB       ASP  88 -15.483  -9.148  -1.793
  682    H    GLN  89           H        GLN  89 -12.030  -9.299  -3.125
  683    HA   GLN  89           HA       GLN  89 -12.280 -12.190  -3.601
  684   1HB   GLN  89          2HB       GLN  89 -14.026 -10.629  -4.858
  685   2HB   GLN  89          1HB       GLN  89 -12.674 -10.391  -5.953
  686   1HG   GLN  89          1HG       GLN  89 -13.722 -13.108  -5.202
  687   2HG   GLN  89          2HG       GLN  89 -14.319 -12.188  -6.580
  688   1HE2  GLN  89          1HE2      GLN  89 -12.301 -14.585  -5.723
  689   2HE2  GLN  89          2HE2      GLN  89 -11.146 -14.492  -7.007
  690    H    THR  90           H        THR  90 -10.542 -13.125  -4.599
  691    HA   THR  90           HA       THR  90  -8.208 -11.402  -5.102
  692    HB   THR  90           HB       THR  90  -8.345 -14.391  -4.650
  693    HG1  THR  90           HG1      THR  90  -8.763 -13.543  -2.717
  694   1HG2  THR  90          1HG2      THR  90  -6.334 -13.710  -5.905
  695   2HG2  THR  90          2HG2      THR  90  -5.973 -14.362  -4.306
  696   3HG2  THR  90          3HG2      THR  90  -5.918 -12.621  -4.580
  697    H    LEU  91           H        LEU  91  -7.536 -11.092  -7.142
  698    HA   LEU  91           HA       LEU  91  -8.852 -12.513  -9.305
  699   1HB   LEU  91          1HB       LEU  91  -6.738 -10.380  -9.558
  700   2HB   LEU  91          2HB       LEU  91  -7.927 -10.858 -10.752
  701    HG   LEU  91           HG       LEU  91  -8.596  -9.486  -8.142
  702   1HD1  LEU  91          1HD2      LEU  91  -8.430  -8.314 -10.911
  703   2HD1  LEU  91          2HD2      LEU  91  -7.261  -8.052  -9.617
  704   3HD1  LEU  91          3HD2      LEU  91  -8.917  -7.472  -9.439
  705   1HD2  LEU  91          1HD1      LEU  91 -10.741  -9.005  -9.421
  706   2HD2  LEU  91          2HD1      LEU  91 -10.507 -10.653  -8.830
  707   3HD2  LEU  91          3HD1      LEU  91 -10.229 -10.277 -10.532
  708    H    LYS  92           H        LYS  92  -5.817 -12.497  -7.686
  709    HA   LYS  92           HA       LYS  92  -4.924 -14.878  -8.948
  710   1HB   LYS  92          1HB       LYS  92  -3.993 -12.381 -10.106
  711   2HB   LYS  92          2HB       LYS  92  -2.653 -13.326  -9.460
  712   1HG   LYS  92          1HG       LYS  92  -3.916 -15.282 -10.749
  713   2HG   LYS  92          2HG       LYS  92  -4.487 -13.922 -11.715
  714   1HD   LYS  92          2HD       LYS  92  -2.523 -14.758 -12.767
  715   2HD   LYS  92          1HD       LYS  92  -2.087 -13.236 -12.006
  716   1HE   LYS  92          2HE       LYS  92  -0.341 -14.843 -11.603
  717   2HE   LYS  92          1HE       LYS  92  -1.175 -14.514 -10.085
  718   1HZ   LYS  92          1HZ       LYS  92  -1.759 -16.852 -11.817
  719   2HZ   LYS  92          2HZ       LYS  92  -2.350 -16.563 -10.259
  720   3HZ   LYS  92          3HZ       LYS  92  -0.708 -16.898 -10.490
  721    HA   PRO  93           HA       PRO  93  -3.069 -15.131  -4.888
  722   1HB   PRO  93          2HB       PRO  93  -1.236 -17.085  -6.167
  723   2HB   PRO  93          1HB       PRO  93  -2.264 -17.283  -4.756
  724   1HG   PRO  93          2HG       PRO  93  -2.951 -18.435  -7.011
  725   2HG   PRO  93          1HG       PRO  93  -4.190 -17.590  -6.055
  726   1HD   PRO  93          2HD       PRO  93  -2.670 -16.618  -8.452
  727   2HD   PRO  93          1HD       PRO  93  -4.418 -16.568  -8.157
  728    H    GLY  94           H        GLY  94  -1.704 -13.705  -4.052
  729   1HA   GLY  94          1HA       GLY  94   0.717 -12.950  -5.549
  730   2HA   GLY  94          2HA       GLY  94  -0.030 -12.007  -4.263
  731    H    LYS  95           H        LYS  95   2.012 -14.707  -5.030
  732    HA   LYS  95           HA       LYS  95   3.039 -14.685  -2.293
  733   1HB   LYS  95          1HB       LYS  95   3.258 -17.266  -2.612
  734   2HB   LYS  95          2HB       LYS  95   1.734 -16.564  -2.086
  735   1HG   LYS  95          2HG       LYS  95   0.959 -16.609  -4.438
  736   2HG   LYS  95          1HG       LYS  95   2.448 -17.443  -4.871
  737   1HD   LYS  95          2HD       LYS  95   0.807 -19.126  -4.646
  738   2HD   LYS  95          1HD       LYS  95   1.789 -19.218  -3.185
  739   1HE   LYS  95          2HE       LYS  95  -0.801 -17.685  -3.314
  740   2HE   LYS  95          1HE       LYS  95  -0.739 -19.396  -2.908
  741   1HZ   LYS  95          1HZ       LYS  95  -0.602 -18.547  -0.835
  742   2HZ   LYS  95          2HZ       LYS  95   0.080 -17.083  -1.339
  743   3HZ   LYS  95          3HZ       LYS  95   1.048 -18.464  -1.200
  744    H    VAL  96           H        VAL  96   4.121 -13.500  -4.680
  745    HA   VAL  96           HA       VAL  96   6.617 -15.058  -4.938
  746    HB   VAL  96           HB       VAL  96   5.441 -13.199  -7.026
  747   1HG1  VAL  96          1HG1      VAL  96   7.873 -14.986  -7.131
  748   2HG1  VAL  96          2HG1      VAL  96   7.876 -13.223  -7.075
  749   3HG1  VAL  96          3HG1      VAL  96   7.221 -14.058  -8.483
  750   1HG2  VAL  96          1HG2      VAL  96   4.624 -14.991  -8.187
  751   2HG2  VAL  96          2HG2      VAL  96   4.412 -15.583  -6.539
  752   3HG2  VAL  96          3HG2      VAL  96   5.794 -16.115  -7.496
  753    H    ASP  97           H        ASP  97   8.196 -14.111  -3.833
  754    HA   ASP  97           HA       ASP  97   8.067 -11.352  -3.038
  755   1HB   ASP  97          2HB       ASP  97   8.954 -13.203  -1.595
  756   2HB   ASP  97          1HB       ASP  97  10.346 -13.307  -2.665
  757    H    VAL  98           H        VAL  98   8.645  -9.733  -4.290
  758    HA   VAL  98           HA       VAL  98  10.963 -10.036  -6.092
  759    HB   VAL  98           HB       VAL  98   8.543  -8.303  -6.662
  760   1HG1  VAL  98          1HG1      VAL  98  10.690  -7.566  -7.652
  761   2HG1  VAL  98          2HG1      VAL  98   9.489  -8.018  -8.861
  762   3HG1  VAL  98          3HG1      VAL  98  10.810  -9.121  -8.476
  763   1HG2  VAL  98          1HG2      VAL  98   8.755 -11.106  -6.939
  764   2HG2  VAL  98          2HG2      VAL  98   8.833 -10.412  -8.559
  765   3HG2  VAL  98          3HG2      VAL  98   7.465 -10.045  -7.507
  766    H    LYS  99           H        LYS  99  12.558  -8.611  -5.707
  767    HA   LYS  99           HA       LYS  99  12.255  -6.590  -3.681
  768   1HB   LYS  99          1HB       LYS  99  14.648  -6.113  -4.128
  769   2HB   LYS  99          2HB       LYS  99  14.341  -7.815  -3.827
  770   1HG   LYS  99          2HG       LYS  99  14.491  -8.311  -6.173
  771   2HG   LYS  99          1HG       LYS  99  14.695  -6.602  -6.553
  772   1HD   LYS  99          2HD       LYS  99  16.862  -7.562  -6.619
  773   2HD   LYS  99          1HD       LYS  99  16.771  -6.660  -5.107
  774   1HE   LYS  99          2HE       LYS  99  17.842  -8.806  -4.739
  775   2HE   LYS  99          1HE       LYS  99  16.287  -8.755  -3.908
  776   1HZ   LYS  99          1HZ       LYS  99  16.951 -10.821  -5.307
  777   2HZ   LYS  99          2HZ       LYS  99  16.433  -9.885  -6.617
  778   3HZ   LYS  99          3HZ       LYS  99  15.360 -10.247  -5.361
  779    H    THR 100           H        THR 100  12.892  -4.305  -4.021
  780    HA   THR 100           HA       THR 100  11.798  -3.309  -6.560
  781    HB   THR 100           HB       THR 100  11.462  -1.177  -5.391
  782    HG1  THR 100           HG1      THR 100  13.051  -2.405  -3.508
  783   1HG2  THR 100          1HG2      THR 100   9.825  -1.843  -3.702
  784   2HG2  THR 100          2HG2      THR 100  10.412  -3.503  -3.799
  785   3HG2  THR 100          3HG2      THR 100   9.644  -2.756  -5.200
  786    H    ASP 101           H        ASP 101  12.750  -1.289  -7.428
  787    HA   ASP 101           HA       ASP 101  15.687  -1.364  -7.236
  788   1HB   ASP 101          2HB       ASP 101  13.905  -0.485  -9.513
  789   2HB   ASP 101          1HB       ASP 101  15.657  -0.334  -9.513
  790    H    LYS 102           H        LYS 102  16.520   0.951  -8.196
  791    HA   LYS 102           HA       LYS 102  15.783   2.833  -6.156
  792   1HB   LYS 102          2HB       LYS 102  17.530   4.268  -7.118
  793   2HB   LYS 102          1HB       LYS 102  18.117   2.639  -6.824
  794   1HG   LYS 102          1HG       LYS 102  18.095   2.107  -9.128
  795   2HG   LYS 102          2HG       LYS 102  17.159   3.547  -9.525
  796   1HD   LYS 102          2HD       LYS 102  19.935   3.652  -8.360
  797   2HD   LYS 102          1HD       LYS 102  19.614   3.645 -10.095
  798   1HE   LYS 102          2HE       LYS 102  18.283   5.697  -9.849
  799   2HE   LYS 102          1HE       LYS 102  18.618   5.702  -8.118
  800   1HZ   LYS 102          1HZ       LYS 102  20.168   6.779 -10.179
  801   2HZ   LYS 102          2HZ       LYS 102  21.053   5.514  -9.489
  802   3HZ   LYS 102          3HZ       LYS 102  20.492   6.780  -8.518
  803    H    TRP 103           H        TRP 103  14.888   2.301  -9.446
  804    HA   TRP 103           HA       TRP 103  13.996   4.973  -9.989
  805   1HB   TRP 103          2HB       TRP 103  13.339   2.396 -11.437
  806   2HB   TRP 103          1HB       TRP 103  13.020   4.019 -12.034
  807    HD1  TRP 103           HD1      TRP 103  15.884   1.546 -11.480
  808    HE1  TRP 103           HE1      TRP 103  17.937   2.340 -12.812
  809    HE3  TRP 103           HE3      TRP 103  14.145   6.105 -13.020
  810    HZ2  TRP 103           HZ2      TRP 103  18.718   4.595 -14.311
  811    HZ3  TRP 103           HZ3      TRP 103  15.611   7.518 -14.402
  812    HH2  TRP 103           HH2      TRP 103  17.850   6.777 -15.034
  813    H    ASP 104           H        ASP 104  12.722   2.384  -8.223
  814    HA   ASP 104           HA       ASP 104   9.936   2.971  -8.667
  815   1HB   ASP 104          2HB       ASP 104  11.339   1.192  -6.664
  816   2HB   ASP 104          1HB       ASP 104   9.590   1.334  -6.788
  817    H    PHE 105           H        PHE 105  12.428   3.974  -6.461
  818    HA   PHE 105           HA       PHE 105  10.438   5.527  -4.939
  819   1HB   PHE 105          2HB       PHE 105  13.052   4.339  -3.979
  820   2HB   PHE 105          1HB       PHE 105  12.100   5.485  -3.046
  821    HD1  PHE 105           HD1      PHE 105  12.017   2.089  -4.549
  822    HD2  PHE 105           HD2      PHE 105  10.309   4.772  -1.721
  823    HE1  PHE 105           HE1      PHE 105  10.715   0.240  -3.586
  824    HE2  PHE 105           HE2      PHE 105   9.005   2.923  -0.754
  825    HZ   PHE 105           HZ       PHE 105   9.209   0.656  -1.685
  826    H    TYR 106           H        TYR 106  11.413   6.547  -7.301
  827    HA   TYR 106           HA       TYR 106  12.781   8.945  -6.358
  828   1HB   TYR 106          2HB       TYR 106  14.588   7.344  -7.079
  829   2HB   TYR 106          1HB       TYR 106  13.894   7.347  -8.691
  830    HD1  TYR 106           HD1      TYR 106  15.648   8.260  -9.961
  831    HD2  TYR 106           HD2      TYR 106  14.371  10.285  -6.441
  832    HE1  TYR 106           HE1      TYR 106  17.068  10.182 -10.548
  833    HE2  TYR 106           HE2      TYR 106  15.783  12.197  -7.002
  834    HH   TYR 106           HH       TYR 106  16.821  13.198  -8.995
  835    H    CYS 107           H        CYS 107  11.535  10.531  -7.051
  836    HA   CYS 107           HA       CYS 107  10.377  10.383  -9.757
  837   1HB   CYS 107          2HB       CYS 107   8.485  11.789  -8.829
  838   2HB   CYS 107          1HB       CYS 107   8.537  10.129  -8.259
  839    H    GLN 108           HN       GLN 108  10.513  12.191 -11.024
  840    HA   GLN 108           HA       GLN 108  11.843  14.542  -9.867
  841   1HB   GLN 108          1HB       GLN 108  12.368  13.201 -12.521
  842   2HB   GLN 108          2HB       GLN 108  12.971  14.791 -12.097
  843   1HG   GLN 108          2HG       GLN 108  14.193  13.798 -10.202
  844   2HG   GLN 108          1HG       GLN 108  13.634  12.206 -10.712
  845   1HE2  GLN 108          1HE2      GLN 108  16.175  14.236 -10.799
  846   2HE2  GLN 108          2HE2      GLN 108  16.963  13.680 -12.234
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1   7.707  15.419  -4.598
    2   2H    MET   1          2HT       MET   1   7.360  13.765  -4.617
    3   3H    MET   1          3HT       MET   1   6.246  14.868  -5.250
    4    HA   MET   1           HA       MET   1   7.524  13.648  -6.963
    5   1HB   MET   1          2HB       MET   1   6.441  15.833  -7.362
    6   2HB   MET   1          1HB       MET   1   7.898  16.651  -6.821
    7   1HG   MET   1          1HG       MET   1   9.138  15.678  -8.698
    8   2HG   MET   1          2HG       MET   1   7.665  14.878  -9.244
    9   1HE   MET   1          1HE       MET   1   8.296  17.740 -11.890
   10   2HE   MET   1          2HE       MET   1   7.916  16.027 -11.709
   11   3HE   MET   1          3HE       MET   1   9.438  16.664 -11.086
   12    H    GLY   2           H        GLY   2   9.385  12.622  -7.216
   13   1HA   GLY   2          2HA       GLY   2  11.827  13.278  -7.738
   14   2HA   GLY   2          1HA       GLY   2  11.831  13.793  -6.061
   15    HA   PRO   3           HA       PRO   3  12.932   9.234  -6.322
   16   1HB   PRO   3          2HB       PRO   3  15.638   9.595  -5.638
   17   2HB   PRO   3          1HB       PRO   3  14.994   9.172  -7.220
   18   1HG   PRO   3          1HG       PRO   3  16.260  11.582  -6.477
   19   2HG   PRO   3          2HG       PRO   3  15.490  11.200  -8.022
   20   1HD   PRO   3          1HD       PRO   3  14.500  12.827  -5.794
   21   2HD   PRO   3          2HD       PRO   3  14.004  12.811  -7.492
   22    H    MET   4           H        MET   4  12.009   8.565  -4.497
   23    HA   MET   4           HA       MET   4  13.430   8.992  -1.983
   24   1HB   MET   4          2HB       MET   4  11.182   9.346  -0.843
   25   2HB   MET   4          1HB       MET   4  11.818  10.697  -1.779
   26   1HG   MET   4          1HG       MET   4  10.363  10.091  -3.654
   27   2HG   MET   4          2HG       MET   4   9.707   8.757  -2.707
   28   1HE   MET   4          1HE       MET   4   9.103   9.663   0.089
   29   2HE   MET   4          2HE       MET   4   7.889   8.938  -0.969
   30   3HE   MET   4          3HE       MET   4   7.511  10.409  -0.067
   31    HA   PRO   5           HA       PRO   5  12.305   4.702  -1.477
   32   1HB   PRO   5          1HB       PRO   5  13.217   4.252   0.969
   33   2HB   PRO   5          2HB       PRO   5  14.324   4.758  -0.312
   34   1HG   PRO   5          2HG       PRO   5  13.124   6.378   1.899
   35   2HG   PRO   5          1HG       PRO   5  14.780   6.400   1.269
   36   1HD   PRO   5          1HD       PRO   5  12.756   8.185   0.552
   37   2HD   PRO   5          2HD       PRO   5  14.243   7.885  -0.370
   38    H    LYS   6           H        LYS   6  11.084   3.190  -0.103
   39    HA   LYS   6           HA       LYS   6   8.665   4.432   0.948
   40   1HB   LYS   6          1HB       LYS   6   9.387   1.629   0.144
   41   2HB   LYS   6          2HB       LYS   6   7.979   1.927   1.152
   42   1HG   LYS   6          1HG       LYS   6   7.683   3.731  -0.906
   43   2HG   LYS   6          2HG       LYS   6   8.347   2.301  -1.688
   44   1HD   LYS   6          2HD       LYS   6   6.019   2.038  -1.782
   45   2HD   LYS   6          1HD       LYS   6   6.572   0.971  -0.494
   46   1HE   LYS   6          1HE       LYS   6   6.016   2.820   1.122
   47   2HE   LYS   6          2HE       LYS   6   5.237   3.653  -0.220
   48   1HZ   LYS   6          1HZ       LYS   6   4.084   1.274  -0.401
   49   2HZ   LYS   6          2HZ       LYS   6   3.453   2.536   0.531
   50   3HZ   LYS   6          3HZ       LYS   6   4.365   1.317   1.267
   51    H    LEU   7           H        LEU   7   7.912   2.342   2.698
   52    HA   LEU   7           HA       LEU   7   9.518   3.039   5.025
   53   1HB   LEU   7          2HB       LEU   7   7.024   1.351   5.083
   54   2HB   LEU   7          1HB       LEU   7   7.702   2.327   6.363
   55    HG   LEU   7           HG       LEU   7   5.719   3.413   5.743
   56   1HD1  LEU   7          1HD1      LEU   7   7.092   5.206   6.008
   57   2HD1  LEU   7          2HD1      LEU   7   6.549   5.478   4.350
   58   3HD1  LEU   7          3HD1      LEU   7   8.133   4.759   4.656
   59   1HD2  LEU   7          1HD2      LEU   7   5.080   3.971   3.450
   60   2HD2  LEU   7          2HD2      LEU   7   5.248   2.234   3.692
   61   3HD2  LEU   7          3HD2      LEU   7   6.513   3.132   2.851
   62    H    ALA   8           H        ALA   8   8.895   0.467   2.839
   63    HA   ALA   8           HA       ALA   8  10.378  -1.460   4.514
   64   1HB   ALA   8          1HB       ALA   8   9.184  -3.221   3.438
   65   2HB   ALA   8          2HB       ALA   8   8.501  -2.110   2.247
   66   3HB   ALA   8          3HB       ALA   8   7.996  -2.016   3.936
   67    H    ASP   9           H        ASP   9  10.920  -3.340   2.465
   68    HA   ASP   9           HA       ASP   9  12.478  -1.882   0.476
   69   1HB   ASP   9          2HB       ASP   9  14.456  -3.361   0.938
   70   2HB   ASP   9          1HB       ASP   9  14.099  -2.180   2.187
   71    H    ARG  10           H        ARG  10  10.691  -4.694   1.376
   72    HA   ARG  10           HA       ARG  10  10.997  -5.725  -1.370
   73   1HB   ARG  10          2HB       ARG  10  11.253  -7.210   1.177
   74   2HB   ARG  10          1HB       ARG  10  10.395  -8.020  -0.119
   75   1HG   ARG  10          1HG       ARG  10  12.493  -8.764  -0.521
   76   2HG   ARG  10          2HG       ARG  10  12.551  -7.275  -1.463
   77   1HD   ARG  10          1HD       ARG  10  14.539  -7.464  -0.119
   78   2HD   ARG  10          2HD       ARG  10  13.563  -6.120   0.456
   79    HE   ARG  10           HE       ARG  10  13.379  -7.184   2.463
   80   1HH1  ARG  10          1HH1      ARG  10  14.343  -9.597   0.098
   81   2HH1  ARG  10          2HH1      ARG  10  14.502 -10.853   1.279
   82   1HH2  ARG  10          1HH2      ARG  10  13.597  -8.846   3.989
   83   2HH2  ARG  10          2HH2      ARG  10  14.080 -10.429   3.478
   84    H    LYS  11           H        LYS  11   9.168  -6.684  -2.310
   85    HA   LYS  11           HA       LYS  11   6.621  -6.256  -0.897
   86   1HB   LYS  11          2HB       LYS  11   5.638  -5.509  -3.034
   87   2HB   LYS  11          1HB       LYS  11   6.939  -4.454  -2.503
   88   1HG   LYS  11          1HG       LYS  11   8.443  -5.805  -4.053
   89   2HG   LYS  11          2HG       LYS  11   6.953  -6.453  -4.737
   90   1HD   LYS  11          2HD       LYS  11   6.217  -4.224  -5.322
   91   2HD   LYS  11          1HD       LYS  11   7.641  -3.529  -4.548
   92   1HE   LYS  11          2HE       LYS  11   8.022  -3.579  -6.915
   93   2HE   LYS  11          1HE       LYS  11   9.059  -4.787  -6.157
   94   1HZ   LYS  11          1HZ       LYS  11   6.504  -5.305  -7.577
   95   2HZ   LYS  11          2HZ       LYS  11   7.418  -6.482  -6.775
   96   3HZ   LYS  11          3HZ       LYS  11   8.059  -5.690  -8.125
   97    H    LEU  12           H        LEU  12   4.783  -7.341  -2.168
   98    HA   LEU  12           HA       LEU  12   5.627  -9.969  -3.182
   99   1HB   LEU  12          2HB       LEU  12   3.396  -9.357  -1.241
  100   2HB   LEU  12          1HB       LEU  12   3.544 -10.884  -2.084
  101    HG   LEU  12           HG       LEU  12   5.678  -9.806  -0.242
  102   1HD1  LEU  12          1HD1      LEU  12   4.532 -11.923   1.049
  103   2HD1  LEU  12          2HD1      LEU  12   3.131 -11.116   0.345
  104   3HD1  LEU  12          3HD1      LEU  12   4.221 -10.225   1.406
  105   1HD2  LEU  12          1HD2      LEU  12   6.471 -11.452  -1.848
  106   2HD2  LEU  12          2HD2      LEU  12   5.170 -12.552  -1.389
  107   3HD2  LEU  12          3HD2      LEU  12   6.432 -12.145  -0.226
  108    H    CYS  13           H        CYS  13   4.942 -10.266  -5.184
  109    HA   CYS  13           HA       CYS  13   2.446  -8.969  -6.057
  110   1HB   CYS  13          2HB       CYS  13   4.955  -9.449  -7.683
  111   2HB   CYS  13          1HB       CYS  13   3.460  -8.754  -8.299
  112    H    ALA  14           H        ALA  14   1.679 -10.064  -8.208
  113    HA   ALA  14           HA       ALA  14   1.186 -12.826  -7.579
  114   1HB   ALA  14          1HB       ALA  14   0.232 -10.961  -9.717
  115   2HB   ALA  14          2HB       ALA  14  -0.686 -11.749  -8.434
  116   3HB   ALA  14          3HB       ALA  14  -0.104 -12.690  -9.808
  117    H    ASP  15           H        ASP  15   3.184 -11.053  -9.825
  118    HA   ASP  15           HA       ASP  15   4.542 -13.519 -10.555
  119   1HB   ASP  15          1HB       ASP  15   4.567 -12.885 -12.980
  120   2HB   ASP  15          2HB       ASP  15   2.988 -13.362 -12.373
  121    H    GLN  16           H        GLN  16   6.511 -12.930 -12.021
  122    HA   GLN  16           HA       GLN  16   8.210 -11.268 -10.511
  123   1HB   GLN  16          2HB       GLN  16   8.884 -13.258 -11.880
  124   2HB   GLN  16          1HB       GLN  16   8.673 -12.276 -13.321
  125   1HG   GLN  16          2HG       GLN  16  10.420 -10.754 -12.541
  126   2HG   GLN  16          1HG       GLN  16  10.629 -11.741 -11.095
  127   1HE2  GLN  16          1HE2      GLN  16  11.885 -11.096 -14.031
  128   2HE2  GLN  16          2HE2      GLN  16  12.697 -12.587 -14.349
  129    H    GLU  17           H        GLU  17   6.073 -10.530 -13.107
  130    HA   GLU  17           HA       GLU  17   7.453  -8.078 -13.857
  131   1HB   GLU  17          2HB       GLU  17   4.741  -9.104 -14.728
  132   2HB   GLU  17          1HB       GLU  17   5.616  -7.760 -15.444
  133   1HG   GLU  17          1HG       GLU  17   7.389  -9.328 -16.129
  134   2HG   GLU  17          2HG       GLU  17   6.424 -10.652 -15.483
  135    H    CYS  18           H        CYS  18   4.978  -9.153 -11.726
  136    HA   CYS  18           HA       CYS  18   3.549  -8.160 -10.280
  137   1HB   CYS  18          1HB       CYS  18   5.777  -7.084  -9.591
  138   2HB   CYS  18          2HB       CYS  18   5.229  -5.656 -10.465
  139    H    SER  19           H        SER  19   3.160  -7.983 -13.123
  140    HA   SER  19           HA       SER  19   1.789  -5.466 -13.578
  141   1HB   SER  19          2HB       SER  19   3.146  -6.162 -15.389
  142   2HB   SER  19          1HB       SER  19   2.501  -7.795 -15.334
  143    HG   SER  19           HG       SER  19   1.692  -6.147 -16.982
  144    H    HIS  20           H        HIS  20   1.094  -8.488 -12.340
  145    HA   HIS  20           HA       HIS  20  -1.688  -8.521 -13.231
  146   1HB   HIS  20          2HB       HIS  20   0.160 -10.493 -11.993
  147   2HB   HIS  20          1HB       HIS  20  -1.546 -10.655 -11.615
  148    HD1  HIS  20           HD1      HIS  20  -0.973 -12.999 -12.890
  149    HD2  HIS  20           HD2      HIS  20  -1.262  -9.593 -15.249
  150    HE1  HIS  20           HE1      HIS  20  -1.428 -13.834 -15.205
  151    HE2  HIS  20           HE2      HIS  20  -1.466 -11.763 -16.648
  152    HA   PRO  21           HA       PRO  21  -2.984  -6.925  -9.250
  153   1HB   PRO  21          1HB       PRO  21  -5.679  -7.261  -9.570
  154   2HB   PRO  21          2HB       PRO  21  -4.752  -5.972 -10.343
  155   1HG   PRO  21          1HG       PRO  21  -6.028  -8.281 -11.551
  156   2HG   PRO  21          2HG       PRO  21  -5.301  -6.874 -12.339
  157   1HD   PRO  21          1HD       PRO  21  -4.188  -9.546 -11.935
  158   2HD   PRO  21          2HD       PRO  21  -3.609  -8.229 -12.979
  159    H    ILE  22           H        ILE  22  -2.732  -7.987  -7.381
  160    HA   ILE  22           HA       ILE  22  -3.223 -10.747  -7.069
  161    HB   ILE  22           HB       ILE  22  -2.847  -8.711  -4.861
  162   1HG1  ILE  22          2HG1      ILE  22  -0.739 -10.457  -6.156
  163   2HG1  ILE  22          1HG1      ILE  22  -1.032  -8.786  -6.637
  164   1HG2  ILE  22          1HG2      ILE  22  -1.840 -11.415  -4.429
  165   2HG2  ILE  22          2HG2      ILE  22  -3.587 -11.371  -4.668
  166   3HG2  ILE  22          3HG2      ILE  22  -2.846 -10.404  -3.391
  167   1HD1  ILE  22          1HD1      ILE  22   0.076  -9.833  -4.065
  168   2HD1  ILE  22          2HD1      ILE  22  -0.625  -8.219  -4.171
  169   3HD1  ILE  22          3HD1      ILE  22   0.760  -8.645  -5.175
  170    H    SER  23           H        SER  23  -4.815  -8.067  -5.288
  171    HA   SER  23           HA       SER  23  -7.328  -9.569  -5.482
  172   1HB   SER  23          2HB       SER  23  -6.192  -8.466  -2.904
  173   2HB   SER  23          1HB       SER  23  -7.789  -9.189  -3.088
  174    HG   SER  23           HG       SER  23  -5.299 -10.385  -2.961
  175    H    MET  24           H        MET  24  -9.143  -8.392  -5.571
  176    HA   MET  24           HA       MET  24  -8.883  -5.523  -5.993
  177   1HB   MET  24          1HB       MET  24 -10.097  -6.987  -7.615
  178   2HB   MET  24          2HB       MET  24 -11.278  -7.332  -6.360
  179   1HG   MET  24          2HG       MET  24 -10.772  -4.489  -6.983
  180   2HG   MET  24          1HG       MET  24 -11.613  -5.446  -8.194
  181   1HE   MET  24          1HE       MET  24 -13.570  -6.763  -7.870
  182   2HE   MET  24          2HE       MET  24 -14.928  -6.292  -6.847
  183   3HE   MET  24          3HE       MET  24 -13.714  -7.420  -6.239
  184    H    ALA  25           H        ALA  25  -9.116  -4.237  -4.267
  185    HA   ALA  25           HA       ALA  25 -10.927  -5.111  -2.111
  186   1HB   ALA  25          1HB       ALA  25  -8.970  -5.042  -0.982
  187   2HB   ALA  25          2HB       ALA  25  -9.394  -3.335  -0.839
  188   3HB   ALA  25          3HB       ALA  25  -8.251  -3.859  -2.076
  189    H    VAL  26           H        VAL  26 -12.313  -3.687  -1.161
  190    HA   VAL  26           HA       VAL  26 -12.970  -1.306  -2.748
  191    HB   VAL  26           HB       VAL  26 -14.573  -2.579  -0.511
  192   1HG1  VAL  26          1HG2      VAL  26 -16.467  -1.350  -1.616
  193   2HG1  VAL  26          2HG2      VAL  26 -15.261  -0.497  -2.580
  194   3HG1  VAL  26          3HG2      VAL  26 -15.272  -0.322  -0.825
  195   1HG2  VAL  26          1HG1      VAL  26 -15.888  -3.684  -2.184
  196   2HG2  VAL  26          2HG1      VAL  26 -14.194  -4.099  -2.450
  197   3HG2  VAL  26          3HG1      VAL  26 -14.982  -2.904  -3.481
  198    H    ALA  27           H        ALA  27 -13.014   0.770  -1.913
  199    HA   ALA  27           HA       ALA  27 -11.430   1.238   0.472
  200   1HB   ALA  27          1HB       ALA  27 -11.161   2.544  -1.655
  201   2HB   ALA  27          2HB       ALA  27 -11.353   3.516  -0.195
  202   3HB   ALA  27          3HB       ALA  27 -12.713   3.306  -1.300
  203    H    LEU  28           H        LEU  28 -12.124   1.969   2.398
  204    HA   LEU  28           HA       LEU  28 -15.018   2.145   2.806
  205   1HB   LEU  28          2HB       LEU  28 -12.708   1.508   4.600
  206   2HB   LEU  28          1HB       LEU  28 -14.214   2.068   5.295
  207    HG   LEU  28           HG       LEU  28 -14.112  -0.335   5.420
  208   1HD1  LEU  28          1HD1      LEU  28 -16.038  -0.192   3.214
  209   2HD1  LEU  28          2HD1      LEU  28 -16.241   1.039   4.461
  210   3HD1  LEU  28          3HD1      LEU  28 -16.264  -0.670   4.898
  211   1HD2  LEU  28          1HD2      LEU  28 -12.728  -0.230   3.055
  212   2HD2  LEU  28          2HD2      LEU  28 -14.272  -0.944   2.587
  213   3HD2  LEU  28          3HD2      LEU  28 -13.306  -1.690   3.859
  214    H    GLN  29           H        GLN  29 -12.234   4.180   2.757
  215    HA   GLN  29           HA       GLN  29 -13.895   6.429   3.547
  216   1HB   GLN  29          1HB       GLN  29 -12.182   7.268   5.172
  217   2HB   GLN  29          2HB       GLN  29 -13.059   5.839   5.697
  218   1HG   GLN  29          2HG       GLN  29 -11.176   4.431   5.148
  219   2HG   GLN  29          1HG       GLN  29 -10.301   5.809   4.490
  220   1HE2  GLN  29          1HE2      GLN  29 -11.750   7.196   7.017
  221   2HE2  GLN  29          2HE2      GLN  29 -10.592   6.894   8.254
  222    H    ASP  30           H        ASP  30 -12.377   8.504   3.601
  223    HA   ASP  30           HA       ASP  30 -11.235   8.666   0.939
  224   1HB   ASP  30          1HB       ASP  30 -11.734  10.796   3.030
  225   2HB   ASP  30          2HB       ASP  30 -11.156  11.105   1.396
  226    H    TYR  31           H        TYR  31  -9.179   9.592   0.496
  227    HA   TYR  31           HA       TYR  31  -7.244   9.843   2.639
  228   1HB   TYR  31          2HB       TYR  31  -7.344   7.369   1.857
  229   2HB   TYR  31          1HB       TYR  31  -6.582   7.957   0.385
  230    HD1  TYR  31           HD1      TYR  31  -4.260   8.238   0.282
  231    HD2  TYR  31           HD2      TYR  31  -6.132   7.836   4.083
  232    HE1  TYR  31           HE1      TYR  31  -2.050   8.098   1.348
  233    HE2  TYR  31           HE2      TYR  31  -3.927   7.694   5.159
  234    HH   TYR  31           HH       TYR  31  -1.390   8.664   4.292
  235    H    MET  32           H        MET  32  -5.867  11.455   2.190
  236    HA   MET  32           HA       MET  32  -5.744  12.443  -0.580
  237   1HB   MET  32          2HB       MET  32  -5.244  13.870   2.039
  238   2HB   MET  32          1HB       MET  32  -4.959  14.583   0.457
  239   1HG   MET  32          2HG       MET  32  -7.292  14.375  -0.094
  240   2HG   MET  32          1HG       MET  32  -7.615  13.591   1.450
  241   1HE   MET  32          1HE       MET  32  -9.575  15.958   2.281
  242   2HE   MET  32          2HE       MET  32  -9.329  15.489   0.599
  243   3HE   MET  32          3HE       MET  32  -9.191  17.182   1.071
  244    H    ALA  33           H        ALA  33  -3.905  12.317  -1.678
  245    HA   ALA  33           HA       ALA  33  -1.527  11.298  -0.313
  246   1HB   ALA  33          1HB       ALA  33  -0.733  10.960  -2.692
  247   2HB   ALA  33          2HB       ALA  33  -2.361  11.418  -3.189
  248   3HB   ALA  33          3HB       ALA  33  -2.117  10.001  -2.170
  249    HA   PRO  34           HA       PRO  34   0.291  15.414  -0.771
  250   1HB   PRO  34          2HB       PRO  34   2.578  14.528   0.722
  251   2HB   PRO  34          1HB       PRO  34   1.268  15.580   1.258
  252   1HG   PRO  34          2HG       PRO  34   1.719  13.052   2.229
  253   2HG   PRO  34          1HG       PRO  34   0.147  13.873   2.270
  254   1HD   PRO  34          2HD       PRO  34   1.159  11.801   0.358
  255   2HD   PRO  34          1HD       PRO  34  -0.454  11.977   1.083
  256    H    ASP  35           H        ASP  35   2.746  12.815  -0.634
  257    HA   ASP  35           HA       ASP  35   4.090  13.970  -2.949
  258   1HB   ASP  35          2HB       ASP  35   5.891  12.297  -2.387
  259   2HB   ASP  35          1HB       ASP  35   5.562  13.489  -1.136
  260    H    CYS  36           H        CYS  36   5.098  12.335  -4.515
  261    HA   CYS  36           HA       CYS  36   3.025  11.041  -5.912
  262   1HB   CYS  36          1HB       CYS  36   5.098  12.020  -6.914
  263   2HB   CYS  36          2HB       CYS  36   5.996  10.642  -6.289
  264    H    ARG  37           H        ARG  37   4.867   9.855  -3.261
  265    HA   ARG  37           HA       ARG  37   4.834   7.112  -4.062
  266   1HB   ARG  37          2HB       ARG  37   6.589   7.835  -2.593
  267   2HB   ARG  37          1HB       ARG  37   5.434   8.460  -1.426
  268   1HG   ARG  37          2HG       ARG  37   4.782   6.324  -0.767
  269   2HG   ARG  37          1HG       ARG  37   5.560   5.554  -2.147
  270   1HD   ARG  37          2HD       ARG  37   6.924   5.126  -0.253
  271   2HD   ARG  37          1HD       ARG  37   7.753   6.341  -1.223
  272    HE   ARG  37           HE       ARG  37   7.620   7.758   0.539
  273   1HH1  ARG  37          1HH1      ARG  37   5.185   5.286   1.040
  274   2HH1  ARG  37          2HH1      ARG  37   4.761   5.866   2.614
  275   1HH2  ARG  37          1HH2      ARG  37   7.059   8.495   2.603
  276   2HH2  ARG  37          2HH2      ARG  37   5.820   7.681   3.499
  277    H    PHE  38           H        PHE  38   2.650   9.236  -2.301
  278    HA   PHE  38           HA       PHE  38   1.025   6.924  -1.525
  279   1HB   PHE  38          2HB       PHE  38   0.865   9.845  -0.802
  280   2HB   PHE  38          1HB       PHE  38  -0.438   8.722  -0.431
  281    HD1  PHE  38           HD1      PHE  38   2.951   9.788   0.425
  282    HD2  PHE  38           HD2      PHE  38  -0.122   6.955   1.226
  283    HE1  PHE  38           HE1      PHE  38   4.081   9.153   2.508
  284    HE2  PHE  38           HE2      PHE  38   1.008   6.316   3.312
  285    HZ   PHE  38           HZ       PHE  38   3.112   7.417   3.957
  286    H    LEU  39           H        LEU  39  -1.297   6.923  -1.957
  287    HA   LEU  39           HA       LEU  39  -1.946   8.137  -4.571
  288   1HB   LEU  39          1HB       LEU  39  -1.631   5.723  -4.746
  289   2HB   LEU  39          2HB       LEU  39  -2.765   5.453  -3.441
  290    HG   LEU  39           HG       LEU  39  -4.570   6.412  -4.917
  291   1HD1  LEU  39          1HD2      LEU  39  -2.283   6.863  -6.646
  292   2HD1  LEU  39          2HD2      LEU  39  -3.919   7.517  -6.740
  293   3HD1  LEU  39          3HD2      LEU  39  -3.558   5.943  -7.447
  294   1HD2  LEU  39          1HD1      LEU  39  -5.018   4.273  -5.269
  295   2HD2  LEU  39          2HD1      LEU  39  -3.334   3.864  -4.939
  296   3HD2  LEU  39          3HD1      LEU  39  -3.844   4.234  -6.586
  297    H    THR  40           H        THR  40  -3.909   9.141  -4.814
  298    HA   THR  40           HA       THR  40  -5.415   9.685  -2.379
  299    HB   THR  40           HB       THR  40  -5.690  10.844  -5.170
  300    HG1  THR  40           HG1      THR  40  -4.587  12.585  -4.328
  301   1HG2  THR  40          1HG2      THR  40  -7.769  11.046  -3.823
  302   2HG2  THR  40          2HG2      THR  40  -7.026  12.590  -4.240
  303   3HG2  THR  40          3HG2      THR  40  -6.843  11.934  -2.613
  304    H    ILE  41           H        ILE  41  -7.157   8.574  -1.846
  305    HA   ILE  41           HA       ILE  41  -8.738   7.259  -3.971
  306    HB   ILE  41           HB       ILE  41  -8.111   6.095  -1.239
  307   1HG1  ILE  41          2HG1      ILE  41  -7.171   5.125  -3.954
  308   2HG1  ILE  41          1HG1      ILE  41  -6.194   6.130  -2.891
  309   1HG2  ILE  41          1HG2      ILE  41 -10.308   5.421  -2.020
  310   2HG2  ILE  41          2HG2      ILE  41  -9.196   4.057  -2.126
  311   3HG2  ILE  41          3HG2      ILE  41  -9.640   4.947  -3.581
  312   1HD1  ILE  41          1HD1      ILE  41  -6.470   4.300  -1.155
  313   2HD1  ILE  41          2HD1      ILE  41  -5.448   3.942  -2.546
  314   3HD1  ILE  41          3HD1      ILE  41  -7.089   3.301  -2.471
  315    H    HIS  42           H        HIS  42 -10.952   7.307  -3.759
  316    HA   HIS  42           HA       HIS  42 -12.012   8.970  -1.581
  317   1HB   HIS  42          2HB       HIS  42 -13.118   8.350  -4.326
  318   2HB   HIS  42          1HB       HIS  42 -14.042   9.180  -3.084
  319    HD1  HIS  42           HD1      HIS  42 -13.858  10.813  -5.433
  320    HD2  HIS  42           HD2      HIS  42 -10.694  10.739  -2.739
  321    HE1  HIS  42           HE1      HIS  42 -12.573  12.933  -5.844
  322    HE2  HIS  42           HE2      HIS  42 -10.732  12.919  -4.126
  323    H    ARG  43           H        ARG  43 -14.002   8.385  -0.587
  324    HA   ARG  43           HA       ARG  43 -14.123   5.703   0.247
  325   1HB   ARG  43          2HB       ARG  43 -14.836   7.649   1.606
  326   2HB   ARG  43          1HB       ARG  43 -16.215   7.869   0.540
  327   1HG   ARG  43          1HG       ARG  43 -17.066   5.668   1.201
  328   2HG   ARG  43          2HG       ARG  43 -15.686   5.468   2.282
  329   1HD   ARG  43          2HD       ARG  43 -17.625   6.195   3.538
  330   2HD   ARG  43          1HD       ARG  43 -16.395   7.456   3.537
  331    HE   ARG  43           HE       ARG  43 -17.876   8.830   2.485
  332   1HH1  ARG  43          1HH1      ARG  43 -19.017   5.539   2.029
  333   2HH1  ARG  43          2HH1      ARG  43 -20.468   6.036   1.227
  334   1HH2  ARG  43          1HH2      ARG  43 -19.784   9.453   1.434
  335   2HH2  ARG  43          2HH2      ARG  43 -20.902   8.247   0.890
  336    H    GLY  44           H        GLY  44 -15.010   3.976  -0.673
  337   1HA   GLY  44          2HA       GLY  44 -16.828   2.784  -1.601
  338   2HA   GLY  44          1HA       GLY  44 -17.449   4.284  -2.264
  339    H    GLN  45           H        GLN  45 -14.276   4.408  -3.057
  340    HA   GLN  45           HA       GLN  45 -14.836   3.577  -5.764
  341   1HB   GLN  45          1HB       GLN  45 -12.417   4.813  -4.469
  342   2HB   GLN  45          2HB       GLN  45 -12.419   4.291  -6.146
  343   1HG   GLN  45          1HG       GLN  45 -14.457   5.787  -6.439
  344   2HG   GLN  45          2HG       GLN  45 -14.037   6.466  -4.868
  345   1HE2  GLN  45          1HE2      GLN  45 -13.799   7.025  -8.030
  346   2HE2  GLN  45          2HE2      GLN  45 -12.323   7.919  -8.091
  347    H    VAL  46           H        VAL  46 -13.634   2.105  -6.990
  348    HA   VAL  46           HA       VAL  46 -12.823  -0.277  -5.516
  349    HB   VAL  46           HB       VAL  46 -12.967   0.083  -8.517
  350   1HG1  VAL  46          1HG1      VAL  46 -12.826  -2.299  -6.705
  351   2HG1  VAL  46          2HG1      VAL  46 -11.791  -1.880  -8.069
  352   3HG1  VAL  46          3HG1      VAL  46 -13.444  -2.424  -8.352
  353   1HG2  VAL  46          1HG2      VAL  46 -15.128   0.156  -6.685
  354   2HG2  VAL  46          2HG2      VAL  46 -15.203  -1.378  -7.552
  355   3HG2  VAL  46          3HG2      VAL  46 -15.179   0.142  -8.447
  356    H    VAL  47           H        VAL  47 -10.727  -0.800  -5.173
  357    HA   VAL  47           HA       VAL  47  -8.681   0.455  -6.888
  358    HB   VAL  47           HB       VAL  47  -8.229  -0.079  -3.953
  359   1HG1  VAL  47          1HG1      VAL  47  -6.368   0.250  -5.773
  360   2HG1  VAL  47          2HG1      VAL  47  -6.223   1.006  -4.186
  361   3HG1  VAL  47          3HG1      VAL  47  -6.769   1.956  -5.568
  362   1HG2  VAL  47          1HG2      VAL  47  -8.344   2.642  -4.143
  363   2HG2  VAL  47          2HG2      VAL  47  -9.635   1.614  -3.522
  364   3HG2  VAL  47          3HG2      VAL  47  -9.663   2.146  -5.203
  365    H    TYR  48           H        TYR  48  -7.262  -0.900  -7.772
  366    HA   TYR  48           HA       TYR  48  -7.339  -3.714  -6.993
  367   1HB   TYR  48          2HB       TYR  48  -6.250  -2.319  -9.444
  368   2HB   TYR  48          1HB       TYR  48  -5.969  -4.019  -9.120
  369    HD1  TYR  48           HD1      TYR  48  -7.239  -5.399 -10.421
  370    HD2  TYR  48           HD2      TYR  48  -9.001  -1.770  -9.066
  371    HE1  TYR  48           HE1      TYR  48  -9.325  -5.982 -11.578
  372    HE2  TYR  48           HE2      TYR  48 -11.091  -2.351 -10.216
  373    HH   TYR  48           HH       TYR  48 -11.864  -5.333 -11.236
  374    H    VAL  49           H        VAL  49  -5.763  -4.650  -5.869
  375    HA   VAL  49           HA       VAL  49  -3.372  -3.113  -5.210
  376    HB   VAL  49           HB       VAL  49  -4.201  -5.825  -4.146
  377   1HG1  VAL  49          1HG1      VAL  49  -1.945  -5.568  -3.628
  378   2HG1  VAL  49          2HG1      VAL  49  -2.765  -4.982  -2.181
  379   3HG1  VAL  49          3HG1      VAL  49  -2.106  -3.835  -3.347
  380   1HG2  VAL  49          1HG2      VAL  49  -5.291  -3.202  -3.609
  381   2HG2  VAL  49          2HG2      VAL  49  -4.614  -3.931  -2.153
  382   3HG2  VAL  49          3HG2      VAL  49  -5.852  -4.785  -3.074
  383    H    PHE  50           H        PHE  50  -1.399  -3.508  -6.027
  384    HA   PHE  50           HA       PHE  50  -1.059  -5.873  -7.741
  385   1HB   PHE  50          1HB       PHE  50   0.118  -3.107  -7.918
  386   2HB   PHE  50          2HB       PHE  50   0.840  -4.469  -8.763
  387    HD1  PHE  50           HD1      PHE  50  -2.404  -2.652  -8.405
  388    HD2  PHE  50           HD2      PHE  50   0.116  -5.034 -10.875
  389    HE1  PHE  50           HE1      PHE  50  -3.951  -2.331 -10.289
  390    HE2  PHE  50           HE2      PHE  50  -1.429  -4.715 -12.761
  391    HZ   PHE  50           HZ       PHE  50  -3.464  -3.362 -12.470
  392    H    SER  51           H        SER  51   0.464  -3.931  -5.206
  393    HA   SER  51           HA       SER  51   2.284  -6.183  -4.693
  394   1HB   SER  51          2HB       SER  51   4.112  -4.568  -4.187
  395   2HB   SER  51          1HB       SER  51   3.632  -4.563  -5.881
  396    HG   SER  51           HG       SER  51   3.893  -2.453  -4.780
  397    H    LYS  52           H        LYS  52   2.881  -6.532  -2.581
  398    HA   LYS  52           HA       LYS  52   1.668  -4.819  -0.514
  399   1HB   LYS  52          1HB       LYS  52   1.748  -7.835  -0.316
  400   2HB   LYS  52          2HB       LYS  52   0.948  -6.718   0.765
  401   1HG   LYS  52          1HG       LYS  52  -0.656  -6.148  -0.969
  402   2HG   LYS  52          2HG       LYS  52   0.155  -7.243  -2.088
  403   1HD   LYS  52          1HD       LYS  52  -0.347  -9.127  -0.596
  404   2HD   LYS  52          2HD       LYS  52  -1.180  -8.024   0.501
  405   1HE   LYS  52          2HE       LYS  52  -2.786  -7.476  -1.251
  406   2HE   LYS  52          1HE       LYS  52  -1.945  -8.556  -2.368
  407   1HZ   LYS  52          1HZ       LYS  52  -2.510 -10.421  -0.987
  408   2HZ   LYS  52          2HZ       LYS  52  -3.925  -9.569  -1.354
  409   3HZ   LYS  52          3HZ       LYS  52  -3.218  -9.415   0.174
  410    H    LEU  53           H        LEU  53   3.361  -3.961   0.572
  411    HA   LEU  53           HA       LEU  53   5.949  -5.162   0.584
  412   1HB   LEU  53          1HB       LEU  53   4.953  -2.982   2.416
  413   2HB   LEU  53          2HB       LEU  53   6.624  -3.362   2.043
  414    HG   LEU  53           HG       LEU  53   4.608  -2.197   0.113
  415   1HD1  LEU  53          1HD2      LEU  53   6.775  -0.483   0.453
  416   2HD1  LEU  53          2HD2      LEU  53   6.372  -1.043   2.080
  417   3HD1  LEU  53          3HD2      LEU  53   5.138  -0.273   1.083
  418   1HD2  LEU  53          1HD1      LEU  53   7.323  -1.917  -0.719
  419   2HD2  LEU  53          2HD1      LEU  53   5.984  -2.706  -1.555
  420   3HD2  LEU  53          3HD1      LEU  53   6.986  -3.622  -0.427
  421    H    LYS  54           H        LYS  54   7.174  -5.854   2.446
  422    HA   LYS  54           HA       LYS  54   5.561  -6.743   4.737
  423   1HB   LYS  54          1HB       LYS  54   6.455  -8.972   4.703
  424   2HB   LYS  54          2HB       LYS  54   5.776  -8.643   3.116
  425   1HG   LYS  54          2HG       LYS  54   7.955  -8.304   2.186
  426   2HG   LYS  54          1HG       LYS  54   8.699  -8.470   3.780
  427   1HD   LYS  54          2HD       LYS  54   8.709 -10.688   3.619
  428   2HD   LYS  54          1HD       LYS  54   6.993 -10.718   3.207
  429   1HE   LYS  54          2HE       LYS  54   8.232 -11.711   1.412
  430   2HE   LYS  54          1HE       LYS  54   7.583 -10.158   0.882
  431   1HZ   LYS  54          1HZ       LYS  54   9.634  -9.592   0.315
  432   2HZ   LYS  54          2HZ       LYS  54  10.274 -11.016   0.966
  433   3HZ   LYS  54          3HZ       LYS  54  10.092  -9.649   1.943
  434    H    GLY  55           H        GLY  55   7.035  -7.644   6.517
  435   1HA   GLY  55          2HA       GLY  55   8.942  -7.521   7.837
  436   2HA   GLY  55          1HA       GLY  55   9.738  -6.614   6.561
  437    H    ARG  56           H        ARG  56   9.771  -4.423   6.623
  438    HA   ARG  56           HA       ARG  56   9.278  -3.174   9.144
  439   1HB   ARG  56          1HB       ARG  56  10.057  -1.940   6.494
  440   2HB   ARG  56          2HB       ARG  56  10.129  -1.138   8.055
  441   1HG   ARG  56          2HG       ARG  56  11.707  -3.609   7.372
  442   2HG   ARG  56          1HG       ARG  56  12.318  -1.965   7.190
  443   1HD   ARG  56          2HD       ARG  56  11.376  -3.208   9.772
  444   2HD   ARG  56          1HD       ARG  56  13.057  -3.010   9.289
  445    HE   ARG  56           HE       ARG  56  11.359  -1.032  10.436
  446   1HH1  ARG  56          1HH1      ARG  56  14.074  -1.421   8.241
  447   2HH1  ARG  56          2HH1      ARG  56  14.631   0.202   8.465
  448   1HH2  ARG  56          1HH2      ARG  56  12.112   1.088  10.713
  449   2HH2  ARG  56          2HH2      ARG  56  13.524   1.620   9.862
  450    H    GLY  57           H        GLY  57   7.649  -3.210   6.033
  451   1HA   GLY  57          2HA       GLY  57   5.449  -1.654   7.238
  452   2HA   GLY  57          1HA       GLY  57   5.990  -1.351   5.593
  453    H    ARG  58           H        ARG  58   5.088  -4.173   7.572
  454    HA   ARG  58           HA       ARG  58   4.044  -5.610   5.349
  455   1HB   ARG  58          1HB       ARG  58   3.241  -7.223   7.059
  456   2HB   ARG  58          2HB       ARG  58   4.946  -6.845   7.202
  457   1HG   ARG  58          1HG       ARG  58   4.495  -6.597   9.372
  458   2HG   ARG  58          2HG       ARG  58   3.830  -5.037   8.895
  459   1HD   ARG  58          2HD       ARG  58   2.247  -6.199  10.301
  460   2HD   ARG  58          1HD       ARG  58   1.612  -6.065   8.662
  461    HE   ARG  58           HE       ARG  58   2.937  -8.517   8.895
  462   1HH1  ARG  58          1HH1      ARG  58   0.059  -6.951  10.148
  463   2HH1  ARG  58          2HH1      ARG  58  -0.797  -8.440  10.360
  464   1HH2  ARG  58          1HH2      ARG  58   1.797 -10.459   9.180
  465   2HH2  ARG  58          2HH2      ARG  58   0.185 -10.424   9.813
  466    H    LEU  59           H        LEU  59   2.768  -3.076   7.142
  467    HA   LEU  59           HA       LEU  59  -0.012  -3.867   6.635
  468   1HB   LEU  59          2HB       LEU  59   1.127  -1.615   8.297
  469   2HB   LEU  59          1HB       LEU  59  -0.583  -1.912   8.070
  470    HG   LEU  59           HG       LEU  59   1.277  -3.925   9.329
  471   1HD1  LEU  59          1HD2      LEU  59   0.052  -3.114  11.456
  472   2HD1  LEU  59          2HD2      LEU  59  -0.225  -1.639  10.531
  473   3HD1  LEU  59          3HD2      LEU  59   1.422  -2.185  10.845
  474   1HD2  LEU  59          1HD1      LEU  59  -0.725  -4.938   8.504
  475   2HD2  LEU  59          2HD1      LEU  59  -1.722  -3.667   9.211
  476   3HD2  LEU  59          3HD1      LEU  59  -0.866  -4.799  10.257
  477    H    PHE  60           H        PHE  60   2.311  -2.485   4.900
  478    HA   PHE  60           HA       PHE  60   0.560  -0.411   3.760
  479   1HB   PHE  60          2HB       PHE  60   3.569  -0.607   3.821
  480   2HB   PHE  60          1HB       PHE  60   2.718   0.493   2.746
  481    HD1  PHE  60           HD1      PHE  60   3.202  -0.353   6.337
  482    HD2  PHE  60           HD2      PHE  60   1.999   2.578   3.493
  483    HE1  PHE  60           HE1      PHE  60   3.099   1.334   8.125
  484    HE2  PHE  60           HE2      PHE  60   1.894   4.269   5.277
  485    HZ   PHE  60           HZ       PHE  60   2.445   3.648   7.595
  486    H    TRP  61           H        TRP  61  -0.266  -0.743   1.856
  487    HA   TRP  61           HA       TRP  61   0.887  -2.808   0.100
  488   1HB   TRP  61          2HB       TRP  61  -1.958  -1.859   0.483
  489   2HB   TRP  61          1HB       TRP  61  -1.472  -2.844  -0.889
  490    HD1  TRP  61           HD1      TRP  61   0.515  -4.368   1.660
  491    HE1  TRP  61           HE1      TRP  61  -0.670  -6.342   2.787
  492    HE3  TRP  61           HE3      TRP  61  -4.292  -3.401   0.179
  493    HZ2  TRP  61           HZ2      TRP  61  -3.286  -7.348   3.050
  494    HZ3  TRP  61           HZ3      TRP  61  -6.074  -4.921   0.926
  495    HH2  TRP  61           HH2      TRP  61  -5.580  -6.853   2.330
  496    H    GLY  62           H        GLY  62  -0.303  -2.272  -2.271
  497   1HA   GLY  62          2HA       GLY  62  -0.211   0.503  -2.991
  498   2HA   GLY  62          1HA       GLY  62   1.265  -0.371  -3.491
  499    H    GLY  63           H        GLY  63  -0.622   0.895  -5.242
  500   1HA   GLY  63          1HA       GLY  63  -0.862  -0.932  -7.277
  501   2HA   GLY  63          2HA       GLY  63  -2.366  -1.071  -6.378
  502    H    SER  64           H        SER  64  -3.538  -0.329  -8.184
  503    HA   SER  64           HA       SER  64  -3.342   2.583  -8.600
  504   1HB   SER  64          1HB       SER  64  -4.034   2.256 -10.941
  505   2HB   SER  64          2HB       SER  64  -2.521   1.416 -10.602
  506    HG   SER  64           HG       SER  64  -4.422   0.305 -11.752
  507    H    VAL  65           H        VAL  65  -5.249   3.717  -8.682
  508    HA   VAL  65           HA       VAL  65  -7.574   2.285  -7.674
  509    HB   VAL  65           HB       VAL  65  -6.952   4.246  -6.414
  510   1HG1  VAL  65          1HG1      VAL  65  -6.565   5.439  -9.003
  511   2HG1  VAL  65          2HG1      VAL  65  -6.010   5.984  -7.421
  512   3HG1  VAL  65          3HG1      VAL  65  -7.610   6.446  -8.001
  513   1HG2  VAL  65          1HG2      VAL  65  -9.436   3.652  -6.996
  514   2HG2  VAL  65          2HG2      VAL  65  -9.395   5.210  -7.823
  515   3HG2  VAL  65          3HG2      VAL  65  -9.047   5.117  -6.095
  516    H    GLN  66           H        GLN  66  -9.236   1.730  -8.858
  517    HA   GLN  66           HA       GLN  66  -9.409   2.553 -11.632
  518   1HB   GLN  66          2HB       GLN  66  -9.763   0.191 -11.030
  519   2HB   GLN  66          1HB       GLN  66 -11.134   0.646 -10.029
  520   1HG   GLN  66          2HG       GLN  66 -12.325   1.438 -12.000
  521   2HG   GLN  66          1HG       GLN  66 -10.945   1.011 -13.013
  522   1HE2  GLN  66          1HE2      GLN  66 -11.156  -0.827 -14.042
  523   2HE2  GLN  66          2HE2      GLN  66 -12.075  -2.196 -13.526
  524    H    GLY  67           H        GLY  67 -10.834   3.966 -12.469
  525   1HA   GLY  67          1HA       GLY  67 -13.358   4.615 -11.493
  526   2HA   GLY  67          2HA       GLY  67 -12.232   5.753 -10.774
  527    H    ASP  68           H        ASP  68 -10.517   5.546 -13.254
  528    HA   ASP  68           HA       ASP  68 -12.215   6.890 -15.214
  529   1HB   ASP  68          2HB       ASP  68 -11.266   8.647 -13.724
  530   2HB   ASP  68          1HB       ASP  68  -9.650   8.120 -14.179
  531    H    TYR  69           H        TYR  69 -11.865   4.905 -16.346
  532    HA   TYR  69           HA       TYR  69  -9.159   4.503 -17.403
  533   1HB   TYR  69          2HB       TYR  69 -11.543   2.729 -17.103
  534   2HB   TYR  69          1HB       TYR  69 -10.419   2.394 -18.411
  535    HD1  TYR  69           HD1      TYR  69  -9.094   0.602 -17.900
  536    HD2  TYR  69           HD2      TYR  69  -9.954   3.402 -14.810
  537    HE1  TYR  69           HE1      TYR  69  -7.644  -0.653 -16.364
  538    HE2  TYR  69           HE2      TYR  69  -8.501   2.154 -13.270
  539    HH   TYR  69           HH       TYR  69  -6.314  -0.160 -14.270
  540    H    TYR  70           H        TYR  70 -11.806   6.231 -18.157
  541    HA   TYR  70           HA       TYR  70 -12.042   5.688 -20.963
  542   1HB   TYR  70          1HB       TYR  70 -13.905   6.605 -19.558
  543   2HB   TYR  70          2HB       TYR  70 -12.994   8.099 -19.404
  544    HD1  TYR  70           HD1      TYR  70 -13.715   9.827 -20.722
  545    HD2  TYR  70           HD2      TYR  70 -14.119   5.856 -22.201
  546    HE1  TYR  70           HE1      TYR  70 -14.777  10.700 -22.759
  547    HE2  TYR  70           HE2      TYR  70 -15.177   6.721 -24.245
  548    HH   TYR  70           HH       TYR  70 -16.472   9.660 -24.543
  549    H    GLY  71           H        GLY  71 -10.149   7.694 -18.923
  550   1HA   GLY  71          1HA       GLY  71  -8.903   8.982 -21.272
  551   2HA   GLY  71          2HA       GLY  71  -9.029   9.753 -19.697
  552    H    ASP  72           H        ASP  72  -7.552   9.285 -18.111
  553    HA   ASP  72           HA       ASP  72  -5.687   7.102 -18.360
  554   1HB   ASP  72          1HB       ASP  72  -4.796   8.936 -19.894
  555   2HB   ASP  72          2HB       ASP  72  -4.545   9.902 -18.446
  556    H    LEU  73           H        LEU  73  -5.436   6.381 -16.339
  557    HA   LEU  73           HA       LEU  73  -4.890   8.214 -14.156
  558   1HB   LEU  73          1HB       LEU  73  -7.515   7.576 -14.562
  559   2HB   LEU  73          2HB       LEU  73  -7.029   6.290 -13.479
  560    HG   LEU  73           HG       LEU  73  -8.087   8.184 -12.310
  561   1HD1  LEU  73          1HD2      LEU  73  -6.229   6.699 -11.320
  562   2HD1  LEU  73          2HD2      LEU  73  -6.702   8.167 -10.462
  563   3HD1  LEU  73          3HD2      LEU  73  -5.231   8.149 -11.435
  564   1HD2  LEU  73          1HD1      LEU  73  -5.720   9.918 -12.606
  565   2HD2  LEU  73          2HD1      LEU  73  -7.423  10.334 -12.409
  566   3HD2  LEU  73          3HD1      LEU  73  -6.814   9.830 -13.986
  567    H    ALA  74           H        ALA  74  -5.313   4.916 -15.328
  568    HA   ALA  74           HA       ALA  74  -4.088   3.681 -13.052
  569   1HB   ALA  74          1HB       ALA  74  -4.799   2.615 -15.772
  570   2HB   ALA  74          2HB       ALA  74  -5.672   2.388 -14.255
  571   3HB   ALA  74          3HB       ALA  74  -4.091   1.633 -14.486
  572    H    ALA  75           H        ALA  75  -2.750   5.478 -15.525
  573    HA   ALA  75           HA       ALA  75  -0.417   3.967 -16.125
  574   1HB   ALA  75          1HB       ALA  75   0.496   6.248 -16.816
  575   2HB   ALA  75          2HB       ALA  75  -1.100   6.878 -16.405
  576   3HB   ALA  75          3HB       ALA  75  -0.933   5.656 -17.666
  577    H    ARG  76           H        ARG  76  -1.142   6.497 -13.755
  578    HA   ARG  76           HA       ARG  76   1.529   6.380 -12.655
  579   1HB   ARG  76          2HB       ARG  76   0.643   8.015 -10.971
  580   2HB   ARG  76          1HB       ARG  76   0.526   8.550 -12.638
  581   1HG   ARG  76          2HG       ARG  76  -1.836   8.068 -12.678
  582   2HG   ARG  76          1HG       ARG  76  -1.753   7.380 -11.055
  583   1HD   ARG  76          2HD       ARG  76  -1.074   9.557 -10.170
  584   2HD   ARG  76          1HD       ARG  76  -1.156  10.243 -11.792
  585    HE   ARG  76           HE       ARG  76  -3.633   9.089 -11.195
  586   1HH1  ARG  76          1HH1      ARG  76  -1.667  11.799 -10.149
  587   2HH1  ARG  76          2HH1      ARG  76  -3.030  12.751  -9.668
  588   1HH2  ARG  76          1HH2      ARG  76  -5.409  10.353 -10.556
  589   2HH2  ARG  76          2HH2      ARG  76  -5.147  11.932  -9.897
  590    H    LEU  77           H        LEU  77   2.165   4.914 -11.280
  591    HA   LEU  77           HA       LEU  77   0.183   3.370  -9.777
  592   1HB   LEU  77          2HB       LEU  77   2.004   2.344 -11.281
  593   2HB   LEU  77          1HB       LEU  77   3.130   2.788 -10.017
  594    HG   LEU  77           HG       LEU  77   1.958   1.314  -8.437
  595   1HD1  LEU  77          1HD2      LEU  77  -0.289   1.358  -9.210
  596   2HD1  LEU  77          2HD2      LEU  77   0.285  -0.300  -9.392
  597   3HD1  LEU  77          3HD2      LEU  77   0.177   0.755 -10.802
  598   1HD2  LEU  77          1HD1      LEU  77   3.792   0.535 -10.019
  599   2HD2  LEU  77          2HD1      LEU  77   2.503  -0.220 -10.958
  600   3HD2  LEU  77          3HD1      LEU  77   2.784  -0.714  -9.288
  601    H    GLY  78           H        GLY  78   0.034   3.460  -7.571
  602   1HA   GLY  78          1HA       GLY  78   2.142   4.950  -6.139
  603   2HA   GLY  78          2HA       GLY  78   0.455   5.392  -5.937
  604    H    TYR  79           H        TYR  79   1.139   4.995  -3.645
  605    HA   TYR  79           HA       TYR  79   0.586   2.191  -2.978
  606   1HB   TYR  79          2HB       TYR  79   2.573   3.927  -1.494
  607   2HB   TYR  79          1HB       TYR  79   2.179   2.246  -1.142
  608    HD1  TYR  79           HD1      TYR  79   4.164   4.493  -3.172
  609    HD2  TYR  79           HD2      TYR  79   2.894   0.455  -2.754
  610    HE1  TYR  79           HE1      TYR  79   5.977   3.787  -4.662
  611    HE2  TYR  79           HE2      TYR  79   4.704  -0.273  -4.251
  612    HH   TYR  79           HH       TYR  79   6.174   1.371  -6.299
  613    H    PHE  80           H        PHE  80  -0.490   1.833  -0.975
  614    HA   PHE  80           HA       PHE  80  -1.531   4.127   0.473
  615   1HB   PHE  80          2HB       PHE  80  -3.906   3.358   0.157
  616   2HB   PHE  80          1HB       PHE  80  -3.154   3.998  -1.301
  617    HD1  PHE  80           HD1      PHE  80  -4.380   0.950   0.368
  618    HD2  PHE  80           HD2      PHE  80  -2.756   2.597  -3.207
  619    HE1  PHE  80           HE1      PHE  80  -4.982  -1.101  -0.847
  620    HE2  PHE  80           HE2      PHE  80  -3.356   0.548  -4.424
  621    HZ   PHE  80           HZ       PHE  80  -4.469  -1.304  -3.245
  622    HA   PRO  81           HA       PRO  81  -1.334   1.195   3.836
  623   1HB   PRO  81          2HB       PRO  81  -3.455   2.575   5.285
  624   2HB   PRO  81          1HB       PRO  81  -1.728   2.513   5.640
  625   1HG   PRO  81          2HG       PRO  81  -2.965   4.770   4.803
  626   2HG   PRO  81          1HG       PRO  81  -1.273   4.404   4.418
  627   1HD   PRO  81          2HD       PRO  81  -3.717   4.078   2.712
  628   2HD   PRO  81          1HD       PRO  81  -2.115   4.713   2.275
  629    H    SER  82           H        SER  82  -2.273  -0.705   4.379
  630    HA   SER  82           HA       SER  82  -4.565  -1.629   3.022
  631   1HB   SER  82          2HB       SER  82  -4.283  -3.675   4.329
  632   2HB   SER  82          1HB       SER  82  -2.717  -3.089   3.776
  633    HG   SER  82           HG       SER  82  -2.793  -1.968   5.982
  634    H    SER  83           H        SER  83  -4.222   0.066   5.981
  635    HA   SER  83           HA       SER  83  -6.482  -0.842   7.386
  636   1HB   SER  83          1HB       SER  83  -4.661   0.399   8.451
  637   2HB   SER  83          2HB       SER  83  -5.093   1.839   7.528
  638    HG   SER  83           HG       SER  83  -6.462   0.603   9.646
  639    H    ILE  84           H        ILE  84  -6.275   1.292   4.636
  640    HA   ILE  84           HA       ILE  84  -8.932   2.374   5.220
  641    HB   ILE  84           HB       ILE  84  -8.652   3.894   3.373
  642   1HG1  ILE  84          1HG1      ILE  84  -5.861   2.818   2.990
  643   2HG1  ILE  84          2HG1      ILE  84  -7.225   2.278   2.008
  644   1HG2  ILE  84          1HG2      ILE  84  -7.261   5.338   4.473
  645   2HG2  ILE  84          2HG2      ILE  84  -6.063   4.094   4.828
  646   3HG2  ILE  84          3HG2      ILE  84  -7.569   4.156   5.744
  647   1HD1  ILE  84          1HD1      ILE  84  -5.625   4.650   1.779
  648   2HD1  ILE  84          2HD1      ILE  84  -7.337   5.046   1.935
  649   3HD1  ILE  84          3HD1      ILE  84  -6.795   3.963   0.651
  650    H    VAL  85           H        VAL  85  -7.766  -0.335   3.695
  651    HA   VAL  85           HA       VAL  85 -10.132  -0.397   1.927
  652    HB   VAL  85           HB       VAL  85  -8.964  -1.774   0.319
  653   1HG1  VAL  85          1HG1      VAL  85  -7.301  -0.160  -0.523
  654   2HG1  VAL  85          2HG1      VAL  85  -7.403   0.707   1.010
  655   3HG1  VAL  85          3HG1      VAL  85  -8.817   0.601  -0.038
  656   1HG2  VAL  85          1HG2      VAL  85  -7.412  -3.103   1.349
  657   2HG2  VAL  85          2HG2      VAL  85  -6.810  -1.793   2.372
  658   3HG2  VAL  85          3HG2      VAL  85  -6.350  -1.863   0.671
  659    H    ARG  86           H        ARG  86 -10.728  -2.667   1.284
  660    HA   ARG  86           HA       ARG  86 -10.219  -4.661   3.353
  661   1HB   ARG  86          2HB       ARG  86 -12.239  -3.377   4.034
  662   2HB   ARG  86          1HB       ARG  86 -13.019  -3.889   2.546
  663   1HG   ARG  86          2HG       ARG  86 -13.197  -6.085   3.231
  664   2HG   ARG  86          1HG       ARG  86 -11.901  -5.923   4.422
  665   1HD   ARG  86          1HD       ARG  86 -13.995  -6.040   5.580
  666   2HD   ARG  86          2HD       ARG  86 -13.340  -4.408   5.713
  667    HE   ARG  86           HE       ARG  86 -15.063  -4.475   3.516
  668   1HH1  ARG  86          1HH1      ARG  86 -15.257  -4.723   7.010
  669   2HH1  ARG  86          2HH1      ARG  86 -16.865  -4.087   7.079
  670   1HH2  ARG  86          1HH2      ARG  86 -17.170  -3.642   3.629
  671   2HH2  ARG  86          2HH2      ARG  86 -17.948  -3.476   5.167
  672    H    GLU  87           H        GLU  87  -9.558  -6.388   2.285
  673    HA   GLU  87           HA       GLU  87  -9.894  -6.825  -0.473
  674   1HB   GLU  87          1HB       GLU  87  -8.805  -8.337   1.818
  675   2HB   GLU  87          2HB       GLU  87  -9.294  -9.300   0.429
  676   1HG   GLU  87          2HG       GLU  87  -7.844  -7.790  -0.970
  677   2HG   GLU  87          1HG       GLU  87  -7.225  -7.132   0.546
  678    H    ASP  88           H        ASP  88 -11.381  -7.896  -1.642
  679    HA   ASP  88           HA       ASP  88 -13.589  -9.186  -0.179
  680   1HB   ASP  88          2HB       ASP  88 -14.153  -7.023  -1.332
  681   2HB   ASP  88          1HB       ASP  88 -13.775  -7.802  -2.863
  682    H    GLN  89           H        GLN  89 -11.738  -9.212  -3.226
  683    HA   GLN  89           HA       GLN  89 -11.969 -12.130  -3.290
  684   1HB   GLN  89          2HB       GLN  89 -13.929 -11.263  -4.546
  685   2HB   GLN  89          1HB       GLN  89 -12.836 -10.418  -5.629
  686   1HG   GLN  89          2HG       GLN  89 -12.068 -13.154  -5.544
  687   2HG   GLN  89          1HG       GLN  89 -13.808 -13.067  -5.810
  688   1HE2  GLN  89          1HE2      GLN  89 -10.949 -13.228  -7.334
  689   2HE2  GLN  89          2HE2      GLN  89 -11.342 -12.472  -8.833
  690    H    THR  90           H        THR  90 -10.200 -13.127  -4.087
  691    HA   THR  90           HA       THR  90  -7.964 -11.477  -4.979
  692    HB   THR  90           HB       THR  90  -8.069 -14.451  -4.429
  693    HG1  THR  90           HG1      THR  90  -7.689 -12.245  -2.776
  694   1HG2  THR  90          1HG2      THR  90  -5.902 -14.624  -4.874
  695   2HG2  THR  90          2HG2      THR  90  -5.528 -13.145  -3.990
  696   3HG2  THR  90          3HG2      THR  90  -6.045 -13.058  -5.673
  697    H    LEU  91           H        LEU  91  -7.573 -11.163  -7.063
  698    HA   LEU  91           HA       LEU  91  -8.991 -12.665  -9.095
  699   1HB   LEU  91          1HB       LEU  91  -6.944 -10.505  -9.553
  700   2HB   LEU  91          2HB       LEU  91  -8.253 -10.993 -10.611
  701    HG   LEU  91           HG       LEU  91  -8.771  -9.719  -7.932
  702   1HD1  LEU  91          1HD2      LEU  91  -7.295  -8.399  -9.657
  703   2HD1  LEU  91          2HD2      LEU  91  -8.594  -7.605  -8.766
  704   3HD1  LEU  91          3HD2      LEU  91  -8.854  -8.120 -10.434
  705   1HD2  LEU  91          1HD1      LEU  91 -10.807  -8.952  -9.420
  706   2HD2  LEU  91          2HD1      LEU  91 -10.790 -10.522  -8.614
  707   3HD2  LEU  91          3HD1      LEU  91 -10.385 -10.407 -10.327
  708    H    LYS  92           H        LYS  92  -5.747 -12.363  -7.864
  709    HA   LYS  92           HA       LYS  92  -4.907 -14.725  -9.305
  710   1HB   LYS  92          2HB       LYS  92  -4.467 -12.854 -10.897
  711   2HB   LYS  92          1HB       LYS  92  -3.391 -12.132  -9.714
  712   1HG   LYS  92          1HG       LYS  92  -1.765 -13.267 -10.736
  713   2HG   LYS  92          2HG       LYS  92  -2.412 -14.691  -9.925
  714   1HD   LYS  92          2HD       LYS  92  -3.230 -13.765 -12.684
  715   2HD   LYS  92          1HD       LYS  92  -2.035 -15.012 -12.357
  716   1HE   LYS  92          2HE       LYS  92  -3.733 -16.376 -11.249
  717   2HE   LYS  92          1HE       LYS  92  -4.940 -15.131 -11.565
  718   1HZ   LYS  92          1HZ       LYS  92  -3.465 -16.709 -13.603
  719   2HZ   LYS  92          2HZ       LYS  92  -4.542 -15.453 -13.952
  720   3HZ   LYS  92          3HZ       LYS  92  -5.103 -16.863 -13.203
  721    HA   PRO  93           HA       PRO  93  -3.021 -15.331  -5.264
  722   1HB   PRO  93          2HB       PRO  93  -1.137 -17.072  -6.728
  723   2HB   PRO  93          1HB       PRO  93  -2.153 -17.428  -5.343
  724   1HG   PRO  93          1HG       PRO  93  -2.702 -18.334  -7.809
  725   2HG   PRO  93          2HG       PRO  93  -3.952 -17.976  -6.606
  726   1HD   PRO  93          1HD       PRO  93  -3.210 -16.498  -9.044
  727   2HD   PRO  93          2HD       PRO  93  -4.731 -16.542  -8.148
  728    H    GLY  94           H        GLY  94  -1.605 -14.080  -4.268
  729   1HA   GLY  94          1HA       GLY  94   0.730 -13.056  -5.752
  730   2HA   GLY  94          2HA       GLY  94   0.002 -12.286  -4.346
  731    H    LYS  95           H        LYS  95   2.098 -14.800  -5.481
  732    HA   LYS  95           HA       LYS  95   3.093 -15.185  -2.750
  733   1HB   LYS  95          1HB       LYS  95   3.478 -17.623  -3.456
  734   2HB   LYS  95          2HB       LYS  95   1.844 -17.122  -3.041
  735   1HG   LYS  95          2HG       LYS  95   1.327 -16.863  -5.414
  736   2HG   LYS  95          1HG       LYS  95   2.958 -17.399  -5.820
  737   1HD   LYS  95          2HD       LYS  95   2.495 -19.540  -4.683
  738   2HD   LYS  95          1HD       LYS  95   0.845 -18.992  -4.378
  739   1HE   LYS  95          2HE       LYS  95   0.898 -20.446  -6.319
  740   2HE   LYS  95          1HE       LYS  95   0.473 -18.803  -6.797
  741   1HZ   LYS  95          1HZ       LYS  95   2.498 -18.481  -7.812
  742   2HZ   LYS  95          2HZ       LYS  95   2.213 -20.113  -8.156
  743   3HZ   LYS  95          3HZ       LYS  95   3.280 -19.685  -6.915
  744    H    VAL  96           H        VAL  96   4.126 -13.555  -4.987
  745    HA   VAL  96           HA       VAL  96   6.737 -14.887  -5.355
  746    HB   VAL  96           HB       VAL  96   5.519 -12.780  -7.161
  747   1HG1  VAL  96          1HG1      VAL  96   8.000 -14.466  -7.498
  748   2HG1  VAL  96          2HG1      VAL  96   7.958 -12.737  -7.155
  749   3HG1  VAL  96          3HG1      VAL  96   7.346 -13.346  -8.693
  750   1HG2  VAL  96          1HG2      VAL  96   5.955 -15.383  -8.354
  751   2HG2  VAL  96          2HG2      VAL  96   4.512 -14.370  -8.355
  752   3HG2  VAL  96          3HG2      VAL  96   4.820 -15.463  -7.005
  753    H    ASP  97           H        ASP  97   8.523 -13.853  -4.625
  754    HA   ASP  97           HA       ASP  97   8.140 -11.265  -3.280
  755   1HB   ASP  97          2HB       ASP  97   8.986 -13.194  -1.954
  756   2HB   ASP  97          1HB       ASP  97  10.395 -13.269  -3.001
  757    H    VAL  98           H        VAL  98   8.836  -9.499  -4.213
  758    HA   VAL  98           HA       VAL  98  11.210  -9.593  -5.967
  759    HB   VAL  98           HB       VAL  98   8.870  -7.727  -6.434
  760   1HG1  VAL  98          1HG1      VAL  98  11.463  -7.634  -7.350
  761   2HG1  VAL  98          2HG1      VAL  98  10.077  -6.815  -8.072
  762   3HG1  VAL  98          3HG1      VAL  98  10.590  -8.387  -8.685
  763   1HG2  VAL  98          1HG2      VAL  98   8.868 -10.488  -6.951
  764   2HG2  VAL  98          2HG2      VAL  98   9.126  -9.696  -8.506
  765   3HG2  VAL  98          3HG2      VAL  98   7.718  -9.280  -7.527
  766    H    LYS  99           H        LYS  99  12.775  -8.177  -5.341
  767    HA   LYS  99           HA       LYS  99  12.257  -6.419  -3.106
  768   1HB   LYS  99          2HB       LYS  99  14.587  -6.047  -2.973
  769   2HB   LYS  99          1HB       LYS  99  14.410  -7.732  -3.418
  770   1HG   LYS  99          2HG       LYS  99  14.921  -5.621  -5.478
  771   2HG   LYS  99          1HG       LYS  99  16.231  -6.356  -4.562
  772   1HD   LYS  99          2HD       LYS  99  15.444  -8.588  -5.370
  773   2HD   LYS  99          1HD       LYS  99  14.284  -7.747  -6.400
  774   1HE   LYS  99          2HE       LYS  99  17.278  -7.409  -6.504
  775   2HE   LYS  99          1HE       LYS  99  16.320  -8.381  -7.620
  776   1HZ   LYS  99          1HZ       LYS  99  16.460  -5.454  -7.360
  777   2HZ   LYS  99          2HZ       LYS  99  15.057  -6.166  -7.978
  778   3HZ   LYS  99          3HZ       LYS  99  16.540  -6.411  -8.753
  779    H    THR 100           H        THR 100  13.120  -4.105  -3.201
  780    HA   THR 100           HA       THR 100  12.155  -2.880  -5.702
  781    HB   THR 100           HB       THR 100  11.589  -0.897  -4.414
  782    HG1  THR 100           HG1      THR 100  13.086  -2.183  -2.462
  783   1HG2  THR 100          1HG2      THR 100   9.818  -1.680  -3.055
  784   2HG2  THR 100          2HG2      THR 100  10.591  -3.251  -2.837
  785   3HG2  THR 100          3HG2      THR 100   9.960  -2.791  -4.418
  786    H    ASP 101           H        ASP 101  13.457  -1.667  -6.906
  787    HA   ASP 101           HA       ASP 101  16.167  -1.141  -5.920
  788   1HB   ASP 101          1HB       ASP 101  15.914  -2.548  -7.961
  789   2HB   ASP 101          2HB       ASP 101  15.181  -1.176  -8.777
  790    H    LYS 102           H        LYS 102  15.390   0.744  -8.662
  791    HA   LYS 102           HA       LYS 102  14.670   3.018  -6.968
  792   1HB   LYS 102          2HB       LYS 102  16.166   4.476  -8.322
  793   2HB   LYS 102          1HB       LYS 102  17.012   3.296  -7.339
  794   1HG   LYS 102          1HG       LYS 102  18.200   3.175  -9.285
  795   2HG   LYS 102          2HG       LYS 102  17.022   1.892  -9.543
  796   1HD   LYS 102          2HD       LYS 102  17.192   3.155 -11.566
  797   2HD   LYS 102          1HD       LYS 102  15.631   3.509 -10.835
  798   1HE   LYS 102          2HE       LYS 102  16.652   5.535 -11.705
  799   2HE   LYS 102          1HE       LYS 102  16.529   5.612  -9.947
  800   1HZ   LYS 102          1HZ       LYS 102  18.796   5.363  -9.691
  801   2HZ   LYS 102          2HZ       LYS 102  18.716   6.314 -11.088
  802   3HZ   LYS 102          3HZ       LYS 102  19.013   4.654 -11.212
  803    H    TRP 103           H        TRP 103  13.774   1.137  -9.510
  804    HA   TRP 103           HA       TRP 103  12.552   3.277 -11.074
  805   1HB   TRP 103          2HB       TRP 103  12.553   0.279 -11.516
  806   2HB   TRP 103          1HB       TRP 103  11.847   1.463 -12.609
  807    HD1  TRP 103           HD1      TRP 103  15.227   0.112 -11.442
  808    HE1  TRP 103           HE1      TRP 103  17.043   0.878 -13.096
  809    HE3  TRP 103           HE3      TRP 103  12.432   3.300 -14.306
  810    HZ2  TRP 103           HZ2      TRP 103  17.266   2.609 -15.311
  811    HZ3  TRP 103           HZ3      TRP 103  13.526   4.472 -16.173
  812    HH2  TRP 103           HH2      TRP 103  15.893   4.132 -16.664
  813    H    ASP 104           H        ASP 104  11.820   1.387  -8.422
  814    HA   ASP 104           HA       ASP 104   9.009   1.032  -8.907
  815   1HB   ASP 104          2HB       ASP 104  10.771   0.605  -6.497
  816   2HB   ASP 104          1HB       ASP 104   9.033   0.346  -6.444
  817    H    PHE 105           H        PHE 105  11.039   3.443  -7.431
  818    HA   PHE 105           HA       PHE 105   8.708   5.142  -7.095
  819   1HB   PHE 105          2HB       PHE 105   9.982   5.906  -4.836
  820   2HB   PHE 105          1HB       PHE 105   8.642   4.776  -4.876
  821    HD1  PHE 105           HD1      PHE 105  12.366   4.431  -5.411
  822    HD2  PHE 105           HD2      PHE 105   8.860   3.141  -3.376
  823    HE1  PHE 105           HE1      PHE 105  13.691   2.743  -4.201
  824    HE2  PHE 105           HE2      PHE 105  10.165   1.445  -2.151
  825    HZ   PHE 105           HZ       PHE 105  12.596   1.248  -2.576
  826    H    TYR 106           H        TYR 106   9.498   6.206  -8.901
  827    HA   TYR 106           HA       TYR 106  11.407   8.300  -8.290
  828   1HB   TYR 106          2HB       TYR 106  12.799   6.453  -9.228
  829   2HB   TYR 106          1HB       TYR 106  11.826   6.486 -10.687
  830    HD1  TYR 106           HD1      TYR 106  13.569   6.940 -12.225
  831    HD2  TYR 106           HD2      TYR 106  13.018   9.530  -8.886
  832    HE1  TYR 106           HE1      TYR 106  15.111   8.566 -13.232
  833    HE2  TYR 106           HE2      TYR 106  14.552  11.159  -9.890
  834    HH   TYR 106           HH       TYR 106  15.357  11.725 -12.248
  835    H    CYS 107           H        CYS 107   9.769   9.780  -8.470
  836    HA   CYS 107           HA       CYS 107   8.271   9.897 -10.995
  837   1HB   CYS 107          2HB       CYS 107   7.723  11.229  -8.343
  838   2HB   CYS 107          1HB       CYS 107   6.729  11.384  -9.783
  839    H    GLN 108           HN       GLN 108  10.723  10.754 -11.439
  840    HA   GLN 108           HA       GLN 108  10.390  13.615 -11.820
  841   1HB   GLN 108          2HB       GLN 108  11.753  13.495  -9.836
  842   2HB   GLN 108          1HB       GLN 108  12.814  12.308 -10.578
  843   1HG   GLN 108          2HG       GLN 108  13.561  13.961 -12.180
  844   2HG   GLN 108          1HG       GLN 108  12.497  15.161 -11.454
  845   1HE2  GLN 108          1HE2      GLN 108  13.459  16.496 -10.115
  846   2HE2  GLN 108          2HE2      GLN 108  14.866  16.163  -9.166
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1   7.191  15.272  -2.123
    2   2H    MET   1          2HT       MET   1   6.633  16.246  -3.387
    3   3H    MET   1          3HT       MET   1   7.913  16.774  -2.418
    4    HA   MET   1           HA       MET   1   8.133  14.273  -3.948
    5   1HB   MET   1          2HB       MET   1   9.152  15.593  -5.791
    6   2HB   MET   1          1HB       MET   1   7.439  15.918  -5.576
    7   1HG   MET   1          2HG       MET   1   7.977  17.987  -4.395
    8   2HG   MET   1          1HG       MET   1   9.697  17.659  -4.602
    9   1HE   MET   1          1HE       MET   1   8.718  20.713  -6.931
   10   2HE   MET   1          2HE       MET   1  10.134  20.140  -6.049
   11   3HE   MET   1          3HE       MET   1   8.576  20.267  -5.232
   12    H    GLY   2           H        GLY   2  10.321  13.668  -4.286
   13   1HA   GLY   2          2HA       GLY   2  12.709  14.388  -3.972
   14   2HA   GLY   2          1HA       GLY   2  12.197  14.939  -2.385
   15    HA   PRO   3           HA       PRO   3  13.456  10.426  -2.162
   16   1HB   PRO   3          2HB       PRO   3  16.027  10.809  -1.130
   17   2HB   PRO   3          1HB       PRO   3  15.618  10.371  -2.785
   18   1HG   PRO   3          1HG       PRO   3  16.757  12.797  -1.874
   19   2HG   PRO   3          2HG       PRO   3  16.253  12.391  -3.517
   20   1HD   PRO   3          1HD       PRO   3  14.892  14.023  -1.487
   21   2HD   PRO   3          2HD       PRO   3  14.705  14.015  -3.248
   22    H    MET   4           H        MET   4  12.204   9.944  -0.482
   23    HA   MET   4           HA       MET   4  12.994  10.856   2.204
   24   1HB   MET   4          2HB       MET   4  10.750  10.927   2.820
   25   2HB   MET   4          1HB       MET   4  10.654  11.404   1.134
   26   1HG   MET   4          2HG       MET   4  10.074   8.667   2.234
   27   2HG   MET   4          1HG       MET   4   8.883   9.863   1.734
   28   1HE   MET   4          1HE       MET   4   7.914   7.544  -0.102
   29   2HE   MET   4          2HE       MET   4   9.040   7.030   1.158
   30   3HE   MET   4          3HE       MET   4   9.314   6.554  -0.521
   31    HA   PRO   5           HA       PRO   5  13.857   6.731   3.790
   32   1HB   PRO   5          2HB       PRO   5  11.164   6.473   5.052
   33   2HB   PRO   5          1HB       PRO   5  12.758   6.138   5.733
   34   1HG   PRO   5          2HG       PRO   5  11.472   8.359   6.384
   35   2HG   PRO   5          1HG       PRO   5  13.220   8.392   6.079
   36   1HD   PRO   5          1HD       PRO   5  10.971   9.330   4.349
   37   2HD   PRO   5          2HD       PRO   5  12.598  10.009   4.561
   38    H    LYS   6           H        LYS   6  13.703   4.631   3.156
   39    HA   LYS   6           HA       LYS   6  12.256   4.016   0.831
   40   1HB   LYS   6          2HB       LYS   6  13.838   2.311   2.749
   41   2HB   LYS   6          1HB       LYS   6  13.061   1.636   1.326
   42   1HG   LYS   6          1HG       LYS   6  15.258   1.999   0.670
   43   2HG   LYS   6          2HG       LYS   6  14.386   3.376   0.006
   44   1HD   LYS   6          2HD       LYS   6  15.474   4.856   1.298
   45   2HD   LYS   6          1HD       LYS   6  15.461   3.790   2.707
   46   1HE   LYS   6          1HE       LYS   6  17.279   2.493   1.757
   47   2HE   LYS   6          2HE       LYS   6  17.288   3.523   0.327
   48   1HZ   LYS   6          1HZ       LYS   6  18.945   3.957   2.263
   49   2HZ   LYS   6          2HZ       LYS   6  17.631   4.750   2.973
   50   3HZ   LYS   6          3HZ       LYS   6  18.215   5.261   1.471
   51    H    LEU   7           H        LEU   7  11.696   3.226   4.207
   52    HA   LEU   7           HA       LEU   7  10.036   2.280   5.379
   53   1HB   LEU   7          1HB       LEU   7   7.886   3.074   5.062
   54   2HB   LEU   7          2HB       LEU   7   8.909   4.309   4.371
   55    HG   LEU   7           HG       LEU   7   8.284   2.828   2.155
   56   1HD1  LEU   7          1HD1      LEU   7   5.594   3.083   3.225
   57   2HD1  LEU   7          2HD1      LEU   7   6.558   1.855   4.052
   58   3HD1  LEU   7          3HD1      LEU   7   6.331   1.770   2.304
   59   1HD2  LEU   7          1HD2      LEU   7   6.435   4.654   1.917
   60   2HD2  LEU   7          2HD2      LEU   7   8.139   5.114   1.947
   61   3HD2  LEU   7          3HD2      LEU   7   7.153   5.291   3.399
   62    H    ALA   8           H        ALA   8  11.074   0.783   2.757
   63    HA   ALA   8           HA       ALA   8   9.786  -1.684   3.414
   64   1HB   ALA   8          1HB       ALA   8   8.516  -2.104   1.529
   65   2HB   ALA   8          2HB       ALA   8   9.361  -0.897   0.561
   66   3HB   ALA   8          3HB       ALA   8   8.206  -0.388   1.790
   67    H    ASP   9           H        ASP   9  10.504  -3.433   1.741
   68    HA   ASP   9           HA       ASP   9  13.135  -2.832   0.606
   69   1HB   ASP   9          1HB       ASP   9  13.346  -3.776   2.969
   70   2HB   ASP   9          2HB       ASP   9  12.690  -5.276   2.326
   71    H    ARG  10           H        ARG  10  10.723  -5.415   1.094
   72    HA   ARG  10           HA       ARG  10  10.921  -6.056  -1.775
   73   1HB   ARG  10          2HB       ARG  10  10.886  -7.940   0.555
   74   2HB   ARG  10          1HB       ARG  10  10.274  -8.457  -1.002
   75   1HG   ARG  10          1HG       ARG  10  12.427  -9.216  -1.059
   76   2HG   ARG  10          2HG       ARG  10  12.606  -7.645  -1.835
   77   1HD   ARG  10          1HD       ARG  10  14.362  -8.031  -0.201
   78   2HD   ARG  10          2HD       ARG  10  13.353  -6.670   0.258
   79    HE   ARG  10           HE       ARG  10  12.797  -7.797   2.160
   80   1HH1  ARG  10          1HH1      ARG  10  14.053 -10.162  -0.115
   81   2HH1  ARG  10          2HH1      ARG  10  13.964 -11.465   1.020
   82   1HH2  ARG  10          1HH2      ARG  10  12.694  -9.521   3.627
   83   2HH2  ARG  10          2HH2      ARG  10  13.196 -11.103   3.136
   84    H    LYS  11           H        LYS  11   8.998  -6.793  -2.765
   85    HA   LYS  11           HA       LYS  11   6.538  -6.225  -1.251
   86   1HB   LYS  11          2HB       LYS  11   5.553  -5.461  -3.391
   87   2HB   LYS  11          1HB       LYS  11   6.926  -4.484  -2.892
   88   1HG   LYS  11          1HG       LYS  11   8.345  -5.822  -4.456
   89   2HG   LYS  11          2HG       LYS  11   6.868  -6.589  -5.042
   90   1HD   LYS  11          2HD       LYS  11   5.994  -4.413  -5.703
   91   2HD   LYS  11          1HD       LYS  11   7.458  -3.637  -5.098
   92   1HE   LYS  11          2HE       LYS  11   8.789  -4.889  -6.726
   93   2HE   LYS  11          1HE       LYS  11   7.323  -5.660  -7.332
   94   1HZ   LYS  11          1HZ       LYS  11   7.570  -2.721  -7.303
   95   2HZ   LYS  11          2HZ       LYS  11   6.580  -3.694  -8.268
   96   3HZ   LYS  11          3HZ       LYS  11   8.242  -3.626  -8.565
   97    H    LEU  12           H        LEU  12   4.581  -7.295  -2.195
   98    HA   LEU  12           HA       LEU  12   5.240 -10.010  -3.125
   99   1HB   LEU  12          2HB       LEU  12   2.962  -9.071  -1.379
  100   2HB   LEU  12          1HB       LEU  12   3.087 -10.690  -2.038
  101    HG   LEU  12           HG       LEU  12   5.146  -9.487  -0.184
  102   1HD1  LEU  12          1HD1      LEU  12   4.033 -11.187   1.425
  103   2HD1  LEU  12          2HD1      LEU  12   2.634 -11.015   0.364
  104   3HD1  LEU  12          3HD1      LEU  12   3.291  -9.604   1.194
  105   1HD2  LEU  12          1HD2      LEU  12   4.680 -12.235  -1.309
  106   2HD2  LEU  12          2HD2      LEU  12   5.629 -11.969   0.154
  107   3HD2  LEU  12          3HD2      LEU  12   6.143 -11.251  -1.373
  108    H    CYS  13           H        CYS  13   4.758 -10.277  -5.173
  109    HA   CYS  13           HA       CYS  13   2.353  -8.982  -6.273
  110   1HB   CYS  13          2HB       CYS  13   4.883  -9.739  -7.752
  111   2HB   CYS  13          1HB       CYS  13   3.485  -8.917  -8.435
  112    H    ALA  14           H        ALA  14   1.652 -10.194  -8.379
  113    HA   ALA  14           HA       ALA  14   1.067 -12.916  -7.600
  114   1HB   ALA  14          1HB       ALA  14   0.073 -11.068  -9.724
  115   2HB   ALA  14          2HB       ALA  14  -0.820 -11.911  -8.459
  116   3HB   ALA  14          3HB       ALA  14  -0.231 -12.801  -9.864
  117    H    ASP  15           H        ASP  15   3.072 -11.261  -9.933
  118    HA   ASP  15           HA       ASP  15   4.283 -13.818 -10.683
  119   1HB   ASP  15          2HB       ASP  15   3.267 -11.753 -12.644
  120   2HB   ASP  15          1HB       ASP  15   4.401 -13.028 -13.080
  121    H    GLN  16           H        GLN  16   6.296 -13.330 -12.127
  122    HA   GLN  16           HA       GLN  16   8.094 -11.776 -10.581
  123   1HB   GLN  16          2HB       GLN  16   8.654 -13.840 -11.913
  124   2HB   GLN  16          1HB       GLN  16   8.537 -12.862 -13.368
  125   1HG   GLN  16          2HG       GLN  16  10.363 -11.451 -12.570
  126   2HG   GLN  16          1HG       GLN  16  10.479 -12.428 -11.108
  127   1HE2  GLN  16          1HE2      GLN  16  11.836 -11.910 -14.027
  128   2HE2  GLN  16          2HE2      GLN  16  12.553 -13.457 -14.306
  129    H    GLU  17           H        GLU  17   6.014 -11.001 -13.190
  130    HA   GLU  17           HA       GLU  17   7.501  -8.639 -14.010
  131   1HB   GLU  17          2HB       GLU  17   4.840  -9.773 -14.900
  132   2HB   GLU  17          1HB       GLU  17   5.495  -8.268 -15.515
  133   1HG   GLU  17          2HG       GLU  17   6.108  -9.770 -17.145
  134   2HG   GLU  17          1HG       GLU  17   7.558  -9.701 -16.149
  135    H    CYS  18           H        CYS  18   5.035  -9.548 -11.809
  136    HA   CYS  18           HA       CYS  18   3.660  -8.450 -10.383
  137   1HB   CYS  18          1HB       CYS  18   5.942  -7.490  -9.747
  138   2HB   CYS  18          2HB       CYS  18   5.493  -6.064 -10.676
  139    H    SER  19           H        SER  19   3.161  -8.339 -13.192
  140    HA   SER  19           HA       SER  19   1.928  -5.745 -13.663
  141   1HB   SER  19          2HB       SER  19   3.306  -6.699 -15.438
  142   2HB   SER  19          1HB       SER  19   2.294  -8.129 -15.456
  143    HG   SER  19           HG       SER  19   1.287  -7.029 -16.960
  144    H    HIS  20           H        HIS  20   1.111  -8.601 -12.242
  145    HA   HIS  20           HA       HIS  20  -1.703  -8.501 -13.079
  146   1HB   HIS  20          2HB       HIS  20   0.082 -10.651 -12.068
  147   2HB   HIS  20          1HB       HIS  20  -1.608 -10.732 -11.602
  148    HD1  HIS  20           HD1      HIS  20  -1.165 -13.027 -13.048
  149    HD2  HIS  20           HD2      HIS  20  -1.551  -9.477 -15.168
  150    HE1  HIS  20           HE1      HIS  20  -1.824 -13.710 -15.359
  151    HE2  HIS  20           HE2      HIS  20  -1.919 -11.552 -16.672
  152    HA   PRO  21           HA       PRO  21  -2.687  -7.098  -8.936
  153   1HB   PRO  21          1HB       PRO  21  -5.405  -7.207  -9.147
  154   2HB   PRO  21          2HB       PRO  21  -4.418  -5.959  -9.907
  155   1HG   PRO  21          1HG       PRO  21  -5.917  -8.109 -11.152
  156   2HG   PRO  21          2HG       PRO  21  -5.143  -6.708 -11.906
  157   1HD   PRO  21          1HD       PRO  21  -4.188  -9.456 -11.706
  158   2HD   PRO  21          2HD       PRO  21  -3.577  -8.123 -12.707
  159    H    ILE  22           H        ILE  22  -2.705  -8.135  -7.021
  160    HA   ILE  22           HA       ILE  22  -3.277 -10.927  -6.885
  161    HB   ILE  22           HB       ILE  22  -2.698  -9.012  -4.610
  162   1HG1  ILE  22          1HG1      ILE  22  -0.482 -10.460  -4.722
  163   2HG1  ILE  22          2HG1      ILE  22  -0.965 -10.663  -6.405
  164   1HG2  ILE  22          1HG2      ILE  22  -2.002 -11.742  -4.062
  165   2HG2  ILE  22          2HG2      ILE  22  -3.708 -11.639  -4.506
  166   3HG2  ILE  22          3HG2      ILE  22  -3.081 -10.666  -3.174
  167   1HD1  ILE  22          1HD1      ILE  22  -0.360  -8.589  -6.945
  168   2HD1  ILE  22          2HD1      ILE  22   0.560  -8.635  -5.441
  169   3HD1  ILE  22          3HD1      ILE  22  -1.042  -7.898  -5.474
  170    H    SER  23           H        SER  23  -4.718  -8.202  -5.043
  171    HA   SER  23           HA       SER  23  -7.272  -9.656  -5.153
  172   1HB   SER  23          2HB       SER  23  -6.093  -8.333  -2.698
  173   2HB   SER  23          1HB       SER  23  -7.708  -9.032  -2.800
  174    HG   SER  23           HG       SER  23  -6.123 -10.461  -1.895
  175    H    MET  24           H        MET  24  -9.108  -8.483  -5.247
  176    HA   MET  24           HA       MET  24  -8.837  -5.662  -5.962
  177   1HB   MET  24          1HB       MET  24 -10.152  -7.458  -7.318
  178   2HB   MET  24          2HB       MET  24 -11.378  -7.279  -6.073
  179   1HG   MET  24          2HG       MET  24 -11.320  -4.787  -6.605
  180   2HG   MET  24          1HG       MET  24 -10.402  -5.240  -8.037
  181   1HE   MET  24          1HE       MET  24 -14.659  -6.803  -7.212
  182   2HE   MET  24          2HE       MET  24 -14.099  -5.346  -6.390
  183   3HE   MET  24          3HE       MET  24 -13.290  -6.886  -6.102
  184    H    ALA  25           H        ALA  25  -8.940  -4.326  -4.236
  185    HA   ALA  25           HA       ALA  25 -10.744  -5.069  -2.032
  186   1HB   ALA  25          1HB       ALA  25  -9.189  -4.368  -0.591
  187   2HB   ALA  25          2HB       ALA  25  -8.877  -2.889  -1.501
  188   3HB   ALA  25          3HB       ALA  25  -8.084  -4.395  -1.966
  189    H    VAL  26           H        VAL  26 -12.191  -3.648  -1.174
  190    HA   VAL  26           HA       VAL  26 -12.901  -1.346  -2.862
  191    HB   VAL  26           HB       VAL  26 -14.534  -2.649  -0.662
  192   1HG1  VAL  26          1HG2      VAL  26 -15.155  -0.532  -2.705
  193   2HG1  VAL  26          2HG2      VAL  26 -15.360  -0.468  -0.954
  194   3HG1  VAL  26          3HG2      VAL  26 -16.421  -1.484  -1.929
  195   1HG2  VAL  26          1HG1      VAL  26 -15.862  -3.603  -2.557
  196   2HG2  VAL  26          2HG1      VAL  26 -14.241  -4.275  -2.386
  197   3HG2  VAL  26          3HG1      VAL  26 -14.572  -3.084  -3.643
  198    H    ALA  27           H        ALA  27 -12.894   0.735  -2.087
  199    HA   ALA  27           HA       ALA  27 -11.394   1.263   0.311
  200   1HB   ALA  27          1HB       ALA  27 -11.265   2.599  -1.822
  201   2HB   ALA  27          2HB       ALA  27 -11.417   3.532  -0.331
  202   3HB   ALA  27          3HB       ALA  27 -12.823   3.298  -1.375
  203    H    LEU  28           H        LEU  28 -12.114   1.666   2.269
  204    HA   LEU  28           HA       LEU  28 -14.983   1.787   2.747
  205   1HB   LEU  28          2HB       LEU  28 -12.626   1.366   4.574
  206   2HB   LEU  28          1HB       LEU  28 -14.278   1.496   5.150
  207    HG   LEU  28           HG       LEU  28 -13.349  -0.619   3.205
  208   1HD1  LEU  28          1HD2      LEU  28 -13.964  -1.290   6.019
  209   2HD1  LEU  28          2HD2      LEU  28 -12.418  -0.504   5.696
  210   3HD1  LEU  28          3HD2      LEU  28 -12.817  -2.025   4.900
  211   1HD2  LEU  28          1HD1      LEU  28 -15.458  -1.735   4.175
  212   2HD2  LEU  28          2HD1      LEU  28 -15.659  -0.454   2.980
  213   3HD2  LEU  28          3HD1      LEU  28 -15.900  -0.108   4.693
  214    H    GLN  29           H        GLN  29 -12.293   3.934   2.671
  215    HA   GLN  29           HA       GLN  29 -13.995   6.116   3.532
  216   1HB   GLN  29          2HB       GLN  29 -12.420   6.956   5.231
  217   2HB   GLN  29          1HB       GLN  29 -13.090   5.392   5.668
  218   1HG   GLN  29          2HG       GLN  29 -11.048   4.285   5.042
  219   2HG   GLN  29          1HG       GLN  29 -10.376   5.796   4.431
  220   1HE2  GLN  29          1HE2      GLN  29  -9.082   6.843   5.749
  221   2HE2  GLN  29          2HE2      GLN  29  -9.050   6.708   7.469
  222    H    ASP  30           H        ASP  30 -12.365   8.203   3.697
  223    HA   ASP  30           HA       ASP  30 -11.165   8.341   1.032
  224   1HB   ASP  30          2HB       ASP  30 -12.070  10.467   2.971
  225   2HB   ASP  30          1HB       ASP  30 -11.139  10.843   1.525
  226    H    TYR  31           H        TYR  31  -9.156   9.344   0.674
  227    HA   TYR  31           HA       TYR  31  -7.338   9.786   2.884
  228   1HB   TYR  31          2HB       TYR  31  -7.288   7.281   2.218
  229   2HB   TYR  31          1HB       TYR  31  -6.528   7.832   0.733
  230    HD1  TYR  31           HD1      TYR  31  -4.228   7.938   0.638
  231    HD2  TYR  31           HD2      TYR  31  -6.120   8.173   4.444
  232    HE1  TYR  31           HE1      TYR  31  -2.025   7.937   1.729
  233    HE2  TYR  31           HE2      TYR  31  -3.921   8.173   5.543
  234    HH   TYR  31           HH       TYR  31  -1.247   7.166   4.310
  235    H    MET  32           H        MET  32  -5.558  11.068   2.297
  236    HA   MET  32           HA       MET  32  -5.587  12.091  -0.468
  237   1HB   MET  32          2HB       MET  32  -4.931  13.571   2.087
  238   2HB   MET  32          1HB       MET  32  -4.735  14.233   0.470
  239   1HG   MET  32          1HG       MET  32  -7.350  13.314   1.641
  240   2HG   MET  32          2HG       MET  32  -6.790  14.978   1.607
  241   1HE   MET  32          1HE       MET  32  -9.656  13.990   0.329
  242   2HE   MET  32          2HE       MET  32  -9.623  15.096  -1.044
  243   3HE   MET  32          3HE       MET  32  -9.053  15.635   0.536
  244    H    ALA  33           H        ALA  33  -3.623  12.344  -1.511
  245    HA   ALA  33           HA       ALA  33  -1.424  10.814  -0.384
  246   1HB   ALA  33          1HB       ALA  33  -0.592  10.628  -2.544
  247   2HB   ALA  33          2HB       ALA  33  -1.397  12.101  -3.086
  248   3HB   ALA  33          3HB       ALA  33  -2.339  10.643  -2.778
  249    HA   PRO  34           HA       PRO  34   0.533  14.795   0.713
  250   1HB   PRO  34          2HB       PRO  34   2.279  13.272   2.444
  251   2HB   PRO  34          1HB       PRO  34   1.027  14.429   2.892
  252   1HG   PRO  34          2HG       PRO  34   0.852  11.771   3.403
  253   2HG   PRO  34          1HG       PRO  34  -0.571  12.797   3.115
  254   1HD   PRO  34          2HD       PRO  34   0.866  10.971   1.212
  255   2HD   PRO  34          1HD       PRO  34  -0.875  11.164   1.486
  256    H    ASP  35           H        ASP  35   2.410  11.779   0.366
  257    HA   ASP  35           HA       ASP  35   4.689  13.219  -0.725
  258   1HB   ASP  35          2HB       ASP  35   4.784  11.247   0.940
  259   2HB   ASP  35          1HB       ASP  35   4.446  10.233  -0.453
  260    H    CYS  36           H        CYS  36   5.716  12.444  -2.698
  261    HA   CYS  36           HA       CYS  36   4.000  12.527  -4.922
  262   1HB   CYS  36          1HB       CYS  36   6.246  13.382  -5.059
  263   2HB   CYS  36          2HB       CYS  36   6.922  11.808  -4.660
  264    H    ARG  37           H        ARG  37   5.453   9.823  -3.205
  265    HA   ARG  37           HA       ARG  37   4.677   7.939  -5.271
  266   1HB   ARG  37          2HB       ARG  37   5.731   6.238  -3.834
  267   2HB   ARG  37          1HB       ARG  37   6.805   7.582  -4.190
  268   1HG   ARG  37          2HG       ARG  37   7.225   7.620  -2.012
  269   2HG   ARG  37          1HG       ARG  37   5.635   8.359  -1.835
  270   1HD   ARG  37          2HD       ARG  37   5.775   6.535  -0.300
  271   2HD   ARG  37          1HD       ARG  37   4.673   6.074  -1.597
  272    HE   ARG  37           HE       ARG  37   7.205   5.155  -2.288
  273   1HH1  ARG  37          1HH1      ARG  37   4.812   4.542   0.201
  274   2HH1  ARG  37          2HH1      ARG  37   5.295   2.896   0.422
  275   1HH2  ARG  37          1HH2      ARG  37   7.816   2.988  -1.989
  276   2HH2  ARG  37          2HH2      ARG  37   6.995   2.016  -0.815
  277    H    PHE  38           H        PHE  38   2.933   9.419  -2.900
  278    HA   PHE  38           HA       PHE  38   1.455   7.049  -2.073
  279   1HB   PHE  38          2HB       PHE  38   1.547   9.879  -1.185
  280   2HB   PHE  38          1HB       PHE  38   0.015   9.040  -0.984
  281    HD1  PHE  38           HD1      PHE  38  -0.343   8.123   1.067
  282    HD2  PHE  38           HD2      PHE  38   3.653   8.295  -0.390
  283    HE1  PHE  38           HE1      PHE  38   0.462   7.116   3.159
  284    HE2  PHE  38           HE2      PHE  38   4.461   7.285   1.699
  285    HZ   PHE  38           HZ       PHE  38   2.866   6.693   3.478
  286    H    LEU  39           H        LEU  39  -1.007   7.227  -2.096
  287    HA   LEU  39           HA       LEU  39  -1.928   8.314  -4.680
  288   1HB   LEU  39          2HB       LEU  39  -1.514   5.908  -4.845
  289   2HB   LEU  39          1HB       LEU  39  -2.551   5.618  -3.466
  290    HG   LEU  39           HG       LEU  39  -4.482   6.473  -4.818
  291   1HD1  LEU  39          1HD2      LEU  39  -3.492   7.815  -6.482
  292   2HD1  LEU  39          2HD2      LEU  39  -4.094   6.388  -7.328
  293   3HD1  LEU  39          3HD2      LEU  39  -2.375   6.536  -6.962
  294   1HD2  LEU  39          1HD1      LEU  39  -4.176   4.403  -6.509
  295   2HD2  LEU  39          2HD1      LEU  39  -4.601   4.220  -4.807
  296   3HD2  LEU  39          3HD1      LEU  39  -2.927   4.021  -5.323
  297    H    THR  40           H        THR  40  -3.895   9.288  -4.716
  298    HA   THR  40           HA       THR  40  -5.251   9.700  -2.161
  299    HB   THR  40           HB       THR  40  -5.753  11.010  -4.851
  300    HG1  THR  40           HG1      THR  40  -4.004  12.050  -4.396
  301   1HG2  THR  40          1HG2      THR  40  -7.536  11.085  -2.919
  302   2HG2  THR  40          2HG2      THR  40  -7.153  12.516  -3.874
  303   3HG2  THR  40          3HG2      THR  40  -6.444  12.311  -2.270
  304    H    ILE  41           H        ILE  41  -7.096   8.722  -1.631
  305    HA   ILE  41           HA       ILE  41  -8.655   7.363  -3.733
  306    HB   ILE  41           HB       ILE  41  -7.695   6.308  -1.075
  307   1HG1  ILE  41          1HG1      ILE  41  -7.815   4.962  -3.776
  308   2HG1  ILE  41          2HG1      ILE  41  -6.466   5.993  -3.293
  309   1HG2  ILE  41          1HG2      ILE  41  -9.991   5.760  -0.917
  310   2HG2  ILE  41          2HG2      ILE  41  -9.188   4.304  -1.507
  311   3HG2  ILE  41          3HG2      ILE  41 -10.086   5.329  -2.626
  312   1HD1  ILE  41          1HD1      ILE  41  -6.603   4.282  -1.190
  313   2HD1  ILE  41          2HD1      ILE  41  -5.554   4.078  -2.592
  314   3HD1  ILE  41          3HD1      ILE  41  -7.106   3.245  -2.525
  315    H    HIS  42           H        HIS  42 -10.896   7.158  -3.398
  316    HA   HIS  42           HA       HIS  42 -12.044   8.920  -1.333
  317   1HB   HIS  42          2HB       HIS  42 -13.061   8.375  -4.134
  318   2HB   HIS  42          1HB       HIS  42 -13.945   9.280  -2.913
  319    HD1  HIS  42           HD1      HIS  42 -12.252  11.370  -1.913
  320    HD2  HIS  42           HD2      HIS  42 -11.823  10.055  -5.831
  321    HE1  HIS  42           HE1      HIS  42 -11.100  13.245  -3.129
  322    HE2  HIS  42           HE2      HIS  42 -10.947  12.469  -5.520
  323    H    ARG  43           H        ARG  43 -14.002   8.208  -0.347
  324    HA   ARG  43           HA       ARG  43 -14.125   5.456   0.201
  325   1HB   ARG  43          2HB       ARG  43 -14.929   7.251   1.715
  326   2HB   ARG  43          1HB       ARG  43 -16.289   7.521   0.639
  327   1HG   ARG  43          1HG       ARG  43 -17.061   5.228   1.067
  328   2HG   ARG  43          2HG       ARG  43 -15.710   4.996   2.178
  329   1HD   ARG  43          2HD       ARG  43 -17.722   5.529   3.416
  330   2HD   ARG  43          1HD       ARG  43 -16.552   6.841   3.565
  331    HE   ARG  43           HE       ARG  43 -18.266   7.415   1.425
  332   1HH1  ARG  43          1HH1      ARG  43 -18.399   7.172   4.922
  333   2HH1  ARG  43          2HH1      ARG  43 -19.692   8.313   5.066
  334   1HH2  ARG  43          1HH2      ARG  43 -19.962   8.909   1.635
  335   2HH2  ARG  43          2HH2      ARG  43 -20.577   9.295   3.208
  336    H    GLY  44           H        GLY  44 -14.834   3.843  -1.019
  337   1HA   GLY  44          2HA       GLY  44 -16.710   2.739  -2.051
  338   2HA   GLY  44          1HA       GLY  44 -17.221   4.290  -2.690
  339    H    GLN  45           H        GLN  45 -13.964   4.272  -3.199
  340    HA   GLN  45           HA       GLN  45 -14.344   3.594  -5.984
  341   1HB   GLN  45          1HB       GLN  45 -11.899   4.603  -4.510
  342   2HB   GLN  45          2HB       GLN  45 -11.962   4.294  -6.241
  343   1HG   GLN  45          2HG       GLN  45 -13.895   5.927  -6.327
  344   2HG   GLN  45          1HG       GLN  45 -13.447   6.378  -4.682
  345   1HE2  GLN  45          1HE2      GLN  45 -13.148   7.279  -7.773
  346   2HE2  GLN  45          2HE2      GLN  45 -11.637   8.114  -7.714
  347    H    VAL  46           H        VAL  46 -13.348   2.000  -7.143
  348    HA   VAL  46           HA       VAL  46 -12.608  -0.389  -5.662
  349    HB   VAL  46           HB       VAL  46 -12.474  -0.113  -8.663
  350   1HG1  VAL  46          1HG1      VAL  46 -13.145  -2.524  -8.538
  351   2HG1  VAL  46          2HG1      VAL  46 -12.947  -2.418  -6.789
  352   3HG1  VAL  46          3HG1      VAL  46 -11.564  -2.149  -7.850
  353   1HG2  VAL  46          1HG2      VAL  46 -14.978  -1.228  -7.678
  354   2HG2  VAL  46          2HG2      VAL  46 -14.679  -0.067  -8.975
  355   3HG2  VAL  46          3HG2      VAL  46 -14.781   0.484  -7.300
  356    H    VAL  47           H        VAL  47 -10.534  -0.885  -5.178
  357    HA   VAL  47           HA       VAL  47  -8.423   0.347  -6.820
  358    HB   VAL  47           HB       VAL  47  -8.077  -0.190  -3.873
  359   1HG1  VAL  47          1HG1      VAL  47  -6.579   1.746  -5.617
  360   2HG1  VAL  47          2HG1      VAL  47  -6.106   0.053  -5.465
  361   3HG1  VAL  47          3HG1      VAL  47  -6.118   1.097  -4.043
  362   1HG2  VAL  47          1HG2      VAL  47  -9.504   2.010  -5.159
  363   2HG2  VAL  47          2HG2      VAL  47  -8.195   2.544  -4.103
  364   3HG2  VAL  47          3HG2      VAL  47  -9.476   1.513  -3.467
  365    H    TYR  48           H        TYR  48  -7.271  -1.082  -7.855
  366    HA   TYR  48           HA       TYR  48  -7.221  -3.872  -7.055
  367   1HB   TYR  48          2HB       TYR  48  -6.182  -2.372  -9.462
  368   2HB   TYR  48          1HB       TYR  48  -5.771  -4.052  -9.180
  369    HD1  TYR  48           HD1      TYR  48  -6.780  -5.185 -10.914
  370    HD2  TYR  48           HD2      TYR  48  -9.108  -2.357  -8.740
  371    HE1  TYR  48           HE1      TYR  48  -8.785  -5.893 -12.143
  372    HE2  TYR  48           HE2      TYR  48 -11.114  -3.062  -9.968
  373    HH   TYR  48           HH       TYR  48 -11.974  -4.547 -11.398
  374    H    VAL  49           H        VAL  49  -5.655  -4.729  -5.836
  375    HA   VAL  49           HA       VAL  49  -3.300  -3.147  -5.190
  376    HB   VAL  49           HB       VAL  49  -4.077  -5.875  -4.128
  377   1HG1  VAL  49          1HG1      VAL  49  -2.620  -5.206  -2.214
  378   2HG1  VAL  49          2HG1      VAL  49  -2.106  -3.808  -3.160
  379   3HG1  VAL  49          3HG1      VAL  49  -1.755  -5.440  -3.733
  380   1HG2  VAL  49          1HG2      VAL  49  -5.838  -4.271  -3.646
  381   2HG2  VAL  49          2HG2      VAL  49  -4.655  -3.143  -2.983
  382   3HG2  VAL  49          3HG2      VAL  49  -4.960  -4.680  -2.172
  383    H    PHE  50           H        PHE  50  -1.421  -3.363  -6.217
  384    HA   PHE  50           HA       PHE  50  -0.974  -5.752  -7.858
  385   1HB   PHE  50          2HB       PHE  50   0.074  -2.941  -8.036
  386   2HB   PHE  50          1HB       PHE  50   0.889  -4.264  -8.862
  387    HD1  PHE  50           HD1      PHE  50  -2.451  -2.622  -8.566
  388    HD2  PHE  50           HD2      PHE  50   0.219  -4.906 -10.970
  389    HE1  PHE  50           HE1      PHE  50  -3.989  -2.407 -10.474
  390    HE2  PHE  50           HE2      PHE  50  -1.314  -4.692 -12.880
  391    HZ   PHE  50           HZ       PHE  50  -3.420  -3.441 -12.634
  392    H    SER  51           H        SER  51   0.246  -4.102  -5.060
  393    HA   SER  51           HA       SER  51   2.164  -6.234  -4.650
  394   1HB   SER  51          2HB       SER  51   4.072  -4.691  -4.269
  395   2HB   SER  51          1HB       SER  51   3.531  -4.707  -5.946
  396    HG   SER  51           HG       SER  51   3.922  -2.588  -4.798
  397    H    LYS  52           H        LYS  52   2.687  -6.609  -2.560
  398    HA   LYS  52           HA       LYS  52   1.566  -4.776  -0.528
  399   1HB   LYS  52          2HB       LYS  52   1.846  -7.764  -0.173
  400   2HB   LYS  52          1HB       LYS  52   0.994  -6.639   0.862
  401   1HG   LYS  52          1HG       LYS  52  -0.686  -6.282  -0.839
  402   2HG   LYS  52          2HG       LYS  52   0.190  -7.334  -1.954
  403   1HD   LYS  52          1HD       LYS  52  -0.137  -9.221  -0.426
  404   2HD   LYS  52          2HD       LYS  52  -1.008  -8.167   0.690
  405   1HE   LYS  52          2HE       LYS  52  -2.707  -7.757  -1.023
  406   2HE   LYS  52          1HE       LYS  52  -1.834  -8.811  -2.140
  407   1HZ   LYS  52          1HZ       LYS  52  -2.678  -9.849   0.480
  408   2HZ   LYS  52          2HZ       LYS  52  -2.414 -10.683  -0.967
  409   3HZ   LYS  52          3HZ       LYS  52  -3.806  -9.741  -0.776
  410    H    LEU  53           H        LEU  53   3.207  -3.769   0.464
  411    HA   LEU  53           HA       LEU  53   5.885  -4.685   0.356
  412   1HB   LEU  53          1HB       LEU  53   4.741  -2.589   2.201
  413   2HB   LEU  53          2HB       LEU  53   6.427  -2.782   1.748
  414    HG   LEU  53           HG       LEU  53   4.210  -2.037  -0.171
  415   1HD1  LEU  53          1HD2      LEU  53   4.616   0.153   0.183
  416   2HD1  LEU  53          2HD2      LEU  53   6.324  -0.107   0.538
  417   3HD1  LEU  53          3HD2      LEU  53   5.106  -0.428   1.774
  418   1HD2  LEU  53          1HD1      LEU  53   6.968  -2.843  -0.548
  419   2HD2  LEU  53          2HD1      LEU  53   6.653  -1.239  -1.206
  420   3HD2  LEU  53          3HD1      LEU  53   5.685  -2.615  -1.738
  421    H    LYS  54           H        LYS  54   7.298  -5.299   2.018
  422    HA   LYS  54           HA       LYS  54   6.004  -6.589   4.337
  423   1HB   LYS  54          1HB       LYS  54   8.402  -7.526   2.747
  424   2HB   LYS  54          2HB       LYS  54   7.842  -8.271   4.235
  425   1HG   LYS  54          2HG       LYS  54   5.752  -8.883   3.171
  426   2HG   LYS  54          1HG       LYS  54   6.248  -8.064   1.689
  427   1HD   LYS  54          1HD       LYS  54   6.684 -10.346   1.316
  428   2HD   LYS  54          2HD       LYS  54   8.251  -9.626   1.668
  429   1HE   LYS  54          2HE       LYS  54   8.099 -10.425   3.978
  430   2HE   LYS  54          1HE       LYS  54   6.530 -11.146   3.625
  431   1HZ   LYS  54          1HZ       LYS  54   8.166 -12.844   3.497
  432   2HZ   LYS  54          2HZ       LYS  54   9.154 -11.921   2.480
  433   3HZ   LYS  54          3HZ       LYS  54   7.675 -12.511   1.912
  434    H    GLY  55           H        GLY  55   7.910  -7.197   5.990
  435   1HA   GLY  55          2HA       GLY  55   9.632  -6.486   7.369
  436   2HA   GLY  55          1HA       GLY  55   9.981  -5.203   6.219
  437    H    ARG  56           H        ARG  56   9.766  -3.258   7.060
  438    HA   ARG  56           HA       ARG  56   8.254  -2.800   9.454
  439   1HB   ARG  56          2HB       ARG  56   9.015  -0.452   9.220
  440   2HB   ARG  56          1HB       ARG  56  10.334  -1.613   9.175
  441   1HG   ARG  56          1HG       ARG  56  10.412  -1.429   6.738
  442   2HG   ARG  56          2HG       ARG  56   9.097  -0.255   6.790
  443   1HD   ARG  56          2HD       ARG  56  11.791   0.082   8.102
  444   2HD   ARG  56          1HD       ARG  56  11.303   0.816   6.577
  445    HE   ARG  56           HE       ARG  56   9.439   1.531   8.537
  446   1HH1  ARG  56          1HH1      ARG  56  12.804   2.140   7.755
  447   2HH1  ARG  56          2HH1      ARG  56  12.814   3.700   8.504
  448   1HH2  ARG  56          1HH2      ARG  56   9.473   3.579   9.513
  449   2HH2  ARG  56          2HH2      ARG  56  10.930   4.515   9.500
  450    H    GLY  57           H        GLY  57   7.612  -2.653   6.108
  451   1HA   GLY  57          1HA       GLY  57   5.235  -0.963   6.521
  452   2HA   GLY  57          2HA       GLY  57   5.990  -1.291   4.967
  453    H    ARG  58           H        ARG  58   5.005  -3.451   7.600
  454    HA   ARG  58           HA       ARG  58   3.959  -5.438   5.882
  455   1HB   ARG  58          1HB       ARG  58   4.817  -5.832   8.186
  456   2HB   ARG  58          2HB       ARG  58   3.409  -5.019   8.830
  457   1HG   ARG  58          1HG       ARG  58   3.010  -7.326   9.039
  458   2HG   ARG  58          2HG       ARG  58   2.031  -6.775   7.686
  459   1HD   ARG  58          2HD       ARG  58   3.077  -8.883   7.133
  460   2HD   ARG  58          1HD       ARG  58   3.735  -7.597   6.122
  461    HE   ARG  58           HE       ARG  58   5.387  -7.863   8.355
  462   1HH1  ARG  58          1HH1      ARG  58   4.480  -9.750   5.541
  463   2HH1  ARG  58          2HH1      ARG  58   5.989 -10.593   5.479
  464   1HH2  ARG  58          1HH2      ARG  58   7.361  -8.979   8.256
  465   2HH2  ARG  58          2HH2      ARG  58   7.619 -10.158   7.014
  466    H    LEU  59           H        LEU  59   2.564  -2.616   7.348
  467    HA   LEU  59           HA       LEU  59  -0.125  -3.453   6.530
  468   1HB   LEU  59          2HB       LEU  59  -0.978  -1.649   7.948
  469   2HB   LEU  59          1HB       LEU  59   0.011  -2.774   8.852
  470    HG   LEU  59           HG       LEU  59   1.262  -0.251   7.833
  471   1HD1  LEU  59          1HD1      LEU  59   0.103  -0.138  10.535
  472   2HD1  LEU  59          2HD1      LEU  59  -1.056  -0.049   9.209
  473   3HD1  LEU  59          3HD1      LEU  59   0.260   1.121   9.310
  474   1HD2  LEU  59          1HD2      LEU  59   1.770  -1.256  10.546
  475   2HD2  LEU  59          2HD2      LEU  59   2.899  -0.723   9.302
  476   3HD2  LEU  59          3HD2      LEU  59   2.236  -2.355   9.247
  477    H    PHE  60           H        PHE  60   2.161  -2.323   4.859
  478    HA   PHE  60           HA       PHE  60   0.681  -0.060   3.693
  479   1HB   PHE  60          2HB       PHE  60   3.640  -0.599   3.826
  480   2HB   PHE  60          1HB       PHE  60   2.963   0.500   2.631
  481    HD1  PHE  60           HD1      PHE  60   3.118  -0.095   6.313
  482    HD2  PHE  60           HD2      PHE  60   2.604   2.720   3.162
  483    HE1  PHE  60           HE1      PHE  60   3.177   1.742   7.948
  484    HE2  PHE  60           HE2      PHE  60   2.663   4.560   4.792
  485    HZ   PHE  60           HZ       PHE  60   2.951   4.073   7.188
  486    H    TRP  61           H        TRP  61  -0.308  -0.498   1.885
  487    HA   TRP  61           HA       TRP  61   0.728  -2.618   0.125
  488   1HB   TRP  61          2HB       TRP  61  -2.066  -1.656   0.710
  489   2HB   TRP  61          1HB       TRP  61  -1.712  -2.510  -0.786
  490    HD1  TRP  61           HD1      TRP  61   0.401  -4.113   1.745
  491    HE1  TRP  61           HE1      TRP  61  -0.692  -6.246   2.659
  492    HE3  TRP  61           HE3      TRP  61  -4.381  -3.401   0.030
  493    HZ2  TRP  61           HZ2      TRP  61  -3.227  -7.465   2.681
  494    HZ3  TRP  61           HZ3      TRP  61  -6.077  -5.110   0.556
  495    HH2  TRP  61           HH2      TRP  61  -5.507  -7.096   1.851
  496    H    GLY  62           H        GLY  62  -0.229  -2.190  -2.247
  497   1HA   GLY  62          1HA       GLY  62  -0.208   0.605  -3.019
  498   2HA   GLY  62          2HA       GLY  62   1.259  -0.298  -3.493
  499    H    GLY  63           H        GLY  63  -0.872   0.966  -5.122
  500   1HA   GLY  63          1HA       GLY  63  -1.033  -0.897  -7.191
  501   2HA   GLY  63          2HA       GLY  63  -2.533  -1.006  -6.282
  502    H    SER  64           H        SER  64  -3.695  -0.284  -8.112
  503    HA   SER  64           HA       SER  64  -3.558   2.632  -8.495
  504   1HB   SER  64          1HB       SER  64  -4.048   2.345 -10.890
  505   2HB   SER  64          2HB       SER  64  -2.530   1.560 -10.456
  506    HG   SER  64           HG       SER  64  -4.042  -0.368 -10.164
  507    H    VAL  65           H        VAL  65  -5.566   3.638  -9.068
  508    HA   VAL  65           HA       VAL  65  -7.866   2.178  -8.014
  509    HB   VAL  65           HB       VAL  65  -7.551   5.122  -8.640
  510   1HG1  VAL  65          1HG2      VAL  65  -9.897   3.517  -7.727
  511   2HG1  VAL  65          2HG2      VAL  65  -9.835   4.876  -8.851
  512   3HG1  VAL  65          3HG2      VAL  65  -9.692   5.157  -7.114
  513   1HG2  VAL  65          1HG1      VAL  65  -6.494   3.745  -6.545
  514   2HG2  VAL  65          2HG1      VAL  65  -8.042   4.270  -5.884
  515   3HG2  VAL  65          3HG1      VAL  65  -6.906   5.459  -6.522
  516    H    GLN  66           H        GLN  66  -9.322   1.302  -9.272
  517    HA   GLN  66           HA       GLN  66  -9.563   2.216 -12.051
  518   1HB   GLN  66          1HB       GLN  66  -8.941  -0.168 -11.765
  519   2HB   GLN  66          2HB       GLN  66 -10.421  -0.432 -10.854
  520   1HG   GLN  66          2HG       GLN  66 -11.746   0.145 -12.805
  521   2HG   GLN  66          1HG       GLN  66 -10.271   0.457 -13.727
  522   1HE2  GLN  66          1HE2      GLN  66 -12.644  -1.703 -13.267
  523   2HE2  GLN  66          2HE2      GLN  66 -11.831  -3.163 -13.712
  524    H    GLY  67           H        GLY  67 -10.807   4.004 -11.230
  525   1HA   GLY  67          1HA       GLY  67 -13.631   3.274 -10.803
  526   2HA   GLY  67          2HA       GLY  67 -12.866   4.517  -9.824
  527    H    ASP  68           H        ASP  68 -13.392   3.629 -13.218
  528    HA   ASP  68           HA       ASP  68 -13.945   4.803 -15.070
  529   1HB   ASP  68          2HB       ASP  68 -14.988   6.793 -13.048
  530   2HB   ASP  68          1HB       ASP  68 -15.276   6.907 -14.784
  531    H    TYR  69           H        TYR  69 -11.607   4.917 -15.379
  532    HA   TYR  69           HA       TYR  69 -10.631   7.697 -15.333
  533   1HB   TYR  69          2HB       TYR  69  -9.135   5.128 -14.845
  534   2HB   TYR  69          1HB       TYR  69  -8.299   6.579 -15.383
  535    HD1  TYR  69           HD1      TYR  69  -7.534   8.107 -13.815
  536    HD2  TYR  69           HD2      TYR  69 -10.572   5.360 -12.672
  537    HE1  TYR  69           HE1      TYR  69  -7.345   8.874 -11.487
  538    HE2  TYR  69           HE2      TYR  69 -10.395   6.125 -10.343
  539    HH   TYR  69           HH       TYR  69  -8.632   8.926  -9.455
  540    H    TYR  70           H        TYR  70 -11.039   8.386 -17.335
  541    HA   TYR  70           HA       TYR  70 -10.319   6.675 -19.604
  542   1HB   TYR  70          1HB       TYR  70 -11.647   8.395 -20.946
  543   2HB   TYR  70          2HB       TYR  70 -12.558   7.368 -19.848
  544    HD1  TYR  70           HD1      TYR  70 -14.030   8.311 -18.323
  545    HD2  TYR  70           HD2      TYR  70 -11.033  10.782 -20.066
  546    HE1  TYR  70           HE1      TYR  70 -15.072  10.288 -17.302
  547    HE2  TYR  70           HE2      TYR  70 -12.067  12.764 -19.042
  548    HH   TYR  70           HH       TYR  70 -14.188  12.671 -16.582
  549    H    GLY  71           H        GLY  71  -8.988   9.107 -17.801
  550   1HA   GLY  71          1HA       GLY  71  -7.625  10.391 -20.058
  551   2HA   GLY  71          2HA       GLY  71  -7.607  10.945 -18.390
  552    H    ASP  72           H        ASP  72  -5.747  10.698 -17.388
  553    HA   ASP  72           HA       ASP  72  -4.198   8.267 -17.665
  554   1HB   ASP  72          1HB       ASP  72  -3.426   9.768 -19.539
  555   2HB   ASP  72          2HB       ASP  72  -2.900  10.925 -18.321
  556    H    LEU  73           H        LEU  73  -4.284   7.818 -15.536
  557    HA   LEU  73           HA       LEU  73  -2.773   9.518 -13.731
  558   1HB   LEU  73          2HB       LEU  73  -5.284  10.172 -13.714
  559   2HB   LEU  73          1HB       LEU  73  -5.535   8.653 -12.889
  560    HG   LEU  73           HG       LEU  73  -5.455  10.679 -11.415
  561   1HD1  LEU  73          1HD2      LEU  73  -4.795   9.429  -9.690
  562   2HD1  LEU  73          2HD2      LEU  73  -3.212   9.103 -10.396
  563   3HD1  LEU  73          3HD2      LEU  73  -4.613   8.157 -10.898
  564   1HD2  LEU  73          1HD1      LEU  73  -2.483  10.677 -11.673
  565   2HD2  LEU  73          2HD1      LEU  73  -3.559  11.918 -11.028
  566   3HD2  LEU  73          3HD1      LEU  73  -3.469  11.646 -12.769
  567    H    ALA  74           H        ALA  74  -4.848   6.623 -13.968
  568    HA   ALA  74           HA       ALA  74  -3.306   5.233 -11.947
  569   1HB   ALA  74          1HB       ALA  74  -5.757   4.939 -12.131
  570   2HB   ALA  74          2HB       ALA  74  -4.875   3.416 -12.244
  571   3HB   ALA  74          3HB       ALA  74  -5.523   4.170 -13.701
  572    H    ALA  75           H        ALA  75  -1.270   5.451 -13.161
  573    HA   ALA  75           HA       ALA  75  -0.747   3.056 -14.702
  574   1HB   ALA  75          1HB       ALA  75  -1.033   4.101 -16.670
  575   2HB   ALA  75          2HB       ALA  75   0.551   4.799 -16.330
  576   3HB   ALA  75          3HB       ALA  75  -0.912   5.708 -15.951
  577    H    ARG  76           H        ARG  76   0.377   5.959 -13.099
  578    HA   ARG  76           HA       ARG  76   3.136   5.126 -13.169
  579   1HB   ARG  76          1HB       ARG  76   3.559   7.176 -11.810
  580   2HB   ARG  76          2HB       ARG  76   2.766   7.482 -13.345
  581   1HG   ARG  76          2HG       ARG  76   1.512   8.832 -12.032
  582   2HG   ARG  76          1HG       ARG  76   0.592   7.343 -11.827
  583   1HD   ARG  76          2HD       ARG  76   1.780   6.887  -9.743
  584   2HD   ARG  76          1HD       ARG  76   2.737   8.350  -9.956
  585    HE   ARG  76           HE       ARG  76   1.003   9.548  -9.094
  586   1HH1  ARG  76          1HH1      ARG  76  -0.296   6.454 -10.130
  587   2HH1  ARG  76          2HH1      ARG  76  -1.878   6.786  -9.514
  588   1HH2  ARG  76          1HH2      ARG  76  -1.076   9.956  -8.293
  589   2HH2  ARG  76          2HH2      ARG  76  -2.319   8.765  -8.475
  590    H    LEU  77           H        LEU  77   0.527   4.362 -11.323
  591    HA   LEU  77           HA       LEU  77   0.160   3.159  -9.452
  592   1HB   LEU  77          2HB       LEU  77   3.072   2.549  -9.841
  593   2HB   LEU  77          1HB       LEU  77   2.169   1.883  -8.495
  594    HG   LEU  77           HG       LEU  77   1.295   1.495 -11.355
  595   1HD1  LEU  77          1HD1      LEU  77   3.675   0.558 -10.369
  596   2HD1  LEU  77          2HD1      LEU  77   2.751  -0.166 -11.686
  597   3HD1  LEU  77          3HD1      LEU  77   2.567  -0.775 -10.041
  598   1HD2  LEU  77          1HD2      LEU  77   0.538   0.386  -8.688
  599   2HD2  LEU  77          2HD2      LEU  77   0.357  -0.618 -10.129
  600   3HD2  LEU  77          3HD2      LEU  77  -0.494   0.925 -10.017
  601    H    GLY  78           H        GLY  78  -0.065   3.418  -7.319
  602   1HA   GLY  78          1HA       GLY  78   1.715   5.329  -5.947
  603   2HA   GLY  78          2HA       GLY  78  -0.032   5.513  -5.861
  604    H    TYR  79           H        TYR  79   1.178   5.339  -3.503
  605    HA   TYR  79           HA       TYR  79   0.676   2.571  -2.633
  606   1HB   TYR  79          2HB       TYR  79   2.773   4.507  -1.642
  607   2HB   TYR  79          1HB       TYR  79   2.321   3.052  -0.753
  608    HD1  TYR  79           HD1      TYR  79   3.913   4.318  -3.839
  609    HD2  TYR  79           HD2      TYR  79   3.051   0.881  -1.482
  610    HE1  TYR  79           HE1      TYR  79   5.495   3.008  -5.184
  611    HE2  TYR  79           HE2      TYR  79   4.632  -0.438  -2.827
  612    HH   TYR  79           HH       TYR  79   6.903   0.897  -4.835
  613    H    PHE  80           H        PHE  80  -0.510   2.236  -0.815
  614    HA   PHE  80           HA       PHE  80  -1.515   4.509   0.717
  615   1HB   PHE  80          2HB       PHE  80  -3.882   3.730   0.368
  616   2HB   PHE  80          1HB       PHE  80  -3.122   4.370  -1.087
  617    HD1  PHE  80           HD1      PHE  80  -4.370   1.335   0.577
  618    HD2  PHE  80           HD2      PHE  80  -2.650   2.942  -2.972
  619    HE1  PHE  80           HE1      PHE  80  -4.919  -0.737  -0.625
  620    HE2  PHE  80           HE2      PHE  80  -3.199   0.871  -4.176
  621    HZ   PHE  80           HZ       PHE  80  -4.333  -0.972  -3.004
  622    HA   PRO  81           HA       PRO  81  -1.364   1.491   4.014
  623   1HB   PRO  81          2HB       PRO  81  -3.553   2.745   5.461
  624   2HB   PRO  81          1HB       PRO  81  -1.828   2.761   5.834
  625   1HG   PRO  81          2HG       PRO  81  -3.189   4.970   5.029
  626   2HG   PRO  81          1HG       PRO  81  -1.467   4.717   4.694
  627   1HD   PRO  81          2HD       PRO  81  -3.829   4.303   2.895
  628   2HD   PRO  81          1HD       PRO  81  -2.249   5.030   2.531
  629    H    SER  82           H        SER  82  -2.260  -0.464   4.415
  630    HA   SER  82           HA       SER  82  -4.503  -1.362   2.969
  631   1HB   SER  82          2HB       SER  82  -4.212  -3.467   4.204
  632   2HB   SER  82          1HB       SER  82  -2.661  -2.839   3.655
  633    HG   SER  82           HG       SER  82  -2.595  -1.846   5.858
  634    H    SER  83           H        SER  83  -4.284   0.231   5.984
  635    HA   SER  83           HA       SER  83  -6.534  -0.804   7.319
  636   1HB   SER  83          2HB       SER  83  -4.791   0.479   8.459
  637   2HB   SER  83          1HB       SER  83  -5.252   1.924   7.559
  638    HG   SER  83           HG       SER  83  -6.409   0.789   9.764
  639    H    ILE  84           H        ILE  84  -6.328   1.487   4.679
  640    HA   ILE  84           HA       ILE  84  -9.031   2.457   5.208
  641    HB   ILE  84           HB       ILE  84  -8.765   3.957   3.327
  642   1HG1  ILE  84          1HG1      ILE  84  -5.919   3.017   3.033
  643   2HG1  ILE  84          2HG1      ILE  84  -7.224   2.333   2.061
  644   1HG2  ILE  84          1HG2      ILE  84  -7.990   4.604   5.562
  645   2HG2  ILE  84          2HG2      ILE  84  -7.072   5.390   4.280
  646   3HG2  ILE  84          3HG2      ILE  84  -6.374   4.028   5.157
  647   1HD1  ILE  84          1HD1      ILE  84  -5.799   4.810   1.750
  648   2HD1  ILE  84          2HD1      ILE  84  -7.542   5.068   1.832
  649   3HD1  ILE  84          3HD1      ILE  84  -6.868   3.970   0.626
  650    H    VAL  85           H        VAL  85  -7.737  -0.188   3.630
  651    HA   VAL  85           HA       VAL  85 -10.134  -0.356   1.916
  652    HB   VAL  85           HB       VAL  85  -8.802  -1.694   0.282
  653   1HG1  VAL  85          1HG1      VAL  85  -8.449   1.183   0.810
  654   2HG1  VAL  85          2HG1      VAL  85  -9.046   0.353  -0.627
  655   3HG1  VAL  85          3HG1      VAL  85  -7.311   0.462  -0.328
  656   1HG2  VAL  85          1HG2      VAL  85  -6.669  -2.265   0.604
  657   2HG2  VAL  85          2HG2      VAL  85  -6.884  -1.746   2.276
  658   3HG2  VAL  85          3HG2      VAL  85  -6.222  -0.627   1.084
  659    H    ARG  86           H        ARG  86 -10.729  -2.570   1.283
  660    HA   ARG  86           HA       ARG  86  -9.857  -4.678   3.102
  661   1HB   ARG  86          1HB       ARG  86 -11.750  -3.549   4.238
  662   2HB   ARG  86          2HB       ARG  86 -12.762  -3.867   2.837
  663   1HG   ARG  86          1HG       ARG  86 -12.524  -6.273   3.208
  664   2HG   ARG  86          2HG       ARG  86 -11.507  -5.952   4.614
  665   1HD   ARG  86          1HD       ARG  86 -13.363  -4.776   5.688
  666   2HD   ARG  86          2HD       ARG  86 -14.379  -5.094   4.283
  667    HE   ARG  86           HE       ARG  86 -13.398  -7.534   5.234
  668   1HH1  ARG  86          1HH1      ARG  86 -15.605  -5.003   6.249
  669   2HH1  ARG  86          2HH1      ARG  86 -16.580  -6.075   7.195
  670   1HH2  ARG  86          1HH2      ARG  86 -14.690  -8.924   6.480
  671   2HH2  ARG  86          2HH2      ARG  86 -16.063  -8.293   7.327
  672    H    GLU  87           H        GLU  87  -9.293  -6.261   1.757
  673    HA   GLU  87           HA       GLU  87 -10.552  -6.540  -0.816
  674   1HB   GLU  87          2HB       GLU  87  -8.959  -8.474  -1.108
  675   2HB   GLU  87          1HB       GLU  87  -8.226  -6.890  -0.895
  676   1HG   GLU  87          1HG       GLU  87  -7.319  -7.419   1.078
  677   2HG   GLU  87          2HG       GLU  87  -8.670  -8.446   1.541
  678    H    ASP  88           H        ASP  88 -11.942  -8.053  -1.488
  679    HA   ASP  88           HA       ASP  88 -12.782 -10.087   0.464
  680   1HB   ASP  88          1HB       ASP  88 -14.559  -8.413  -1.322
  681   2HB   ASP  88          2HB       ASP  88 -15.112  -9.775  -0.353
  682    H    GLN  89           H        GLN  89 -11.959  -9.289  -2.800
  683    HA   GLN  89           HA       GLN  89 -12.417 -12.115  -3.530
  684   1HB   GLN  89          2HB       GLN  89 -14.209 -10.595  -4.430
  685   2HB   GLN  89          1HB       GLN  89 -12.971  -9.803  -5.387
  686   1HG   GLN  89          2HG       GLN  89 -13.123 -12.725  -5.676
  687   2HG   GLN  89          1HG       GLN  89 -14.514 -11.820  -6.269
  688   1HE2  GLN  89          1HE2      GLN  89 -11.696 -13.134  -7.183
  689   2HE2  GLN  89          2HE2      GLN  89 -11.299 -12.121  -8.526
  690    H    THR  90           H        THR  90 -10.555 -13.028  -4.001
  691    HA   THR  90           HA       THR  90  -8.245 -11.469  -4.813
  692    HB   THR  90           HB       THR  90  -8.460 -14.466  -4.469
  693    HG1  THR  90           HG1      THR  90  -9.020 -13.548  -2.529
  694   1HG2  THR  90          1HG2      THR  90  -6.414 -13.990  -5.537
  695   2HG2  THR  90          2HG2      THR  90  -6.048 -14.241  -3.830
  696   3HG2  THR  90          3HG2      THR  90  -6.109 -12.606  -4.487
  697    H    LEU  91           H        LEU  91  -7.586 -11.185  -6.826
  698    HA   LEU  91           HA       LEU  91  -9.029 -12.422  -9.015
  699   1HB   LEU  91          1HB       LEU  91  -6.794 -10.401  -9.146
  700   2HB   LEU  91          2HB       LEU  91  -7.944 -10.788 -10.409
  701    HG   LEU  91           HG       LEU  91  -8.812  -9.593  -7.785
  702   1HD1  LEU  91          1HD2      LEU  91  -7.113  -8.333  -9.554
  703   2HD1  LEU  91          2HD2      LEU  91  -8.146  -7.554  -8.355
  704   3HD1  LEU  91          3HD2      LEU  91  -8.712  -7.746 -10.014
  705   1HD2  LEU  91          1HD1      LEU  91 -10.531  -8.696  -9.638
  706   2HD2  LEU  91          2HD1      LEU  91 -10.762 -10.192  -8.732
  707   3HD2  LEU  91          3HD1      LEU  91 -10.085 -10.243 -10.360
  708    H    LYS  92           H        LYS  92  -5.698 -12.296  -7.807
  709    HA   LYS  92           HA       LYS  92  -5.083 -14.756  -9.240
  710   1HB   LYS  92          2HB       LYS  92  -4.559 -12.875 -10.799
  711   2HB   LYS  92          1HB       LYS  92  -3.398 -12.270  -9.631
  712   1HG   LYS  92          1HG       LYS  92  -1.856 -13.524 -10.617
  713   2HG   LYS  92          2HG       LYS  92  -2.708 -14.952 -10.031
  714   1HD   LYS  92          1HD       LYS  92  -3.401 -13.565 -12.607
  715   2HD   LYS  92          2HD       LYS  92  -2.234 -14.880 -12.520
  716   1HE   LYS  92          2HE       LYS  92  -3.970 -16.355 -11.607
  717   2HE   LYS  92          1HE       LYS  92  -5.139 -15.038 -11.707
  718   1HZ   LYS  92          1HZ       LYS  92  -3.731 -16.314 -13.991
  719   2HZ   LYS  92          2HZ       LYS  92  -4.783 -14.996 -14.119
  720   3HZ   LYS  92          3HZ       LYS  92  -5.366 -16.494 -13.593
  721    HA   PRO  93           HA       PRO  93  -3.047 -15.733  -5.335
  722   1HB   PRO  93          1HB       PRO  93  -1.175 -17.160  -7.182
  723   2HB   PRO  93          2HB       PRO  93  -1.914 -17.722  -5.683
  724   1HG   PRO  93          1HG       PRO  93  -2.872 -18.525  -8.013
  725   2HG   PRO  93          2HG       PRO  93  -3.980 -18.093  -6.695
  726   1HD   PRO  93          2HD       PRO  93  -3.285 -16.571  -9.164
  727   2HD   PRO  93          1HD       PRO  93  -4.819 -16.663  -8.282
  728    H    GLY  94           H        GLY  94  -1.714 -14.471  -4.231
  729   1HA   GLY  94          1HA       GLY  94   0.557 -13.202  -5.623
  730   2HA   GLY  94          2HA       GLY  94  -0.221 -12.577  -4.173
  731    H    LYS  95           H        LYS  95   1.724 -15.213  -5.419
  732    HA   LYS  95           HA       LYS  95   2.877 -15.563  -2.745
  733   1HB   LYS  95          1HB       LYS  95   3.359 -17.959  -3.583
  734   2HB   LYS  95          2HB       LYS  95   1.735 -17.549  -3.048
  735   1HG   LYS  95          2HG       LYS  95   0.966 -17.347  -5.300
  736   2HG   LYS  95          1HG       LYS  95   2.609 -17.521  -5.924
  737   1HD   LYS  95          2HD       LYS  95   1.213 -19.656  -4.318
  738   2HD   LYS  95          1HD       LYS  95   1.138 -19.575  -6.076
  739   1HE   LYS  95          2HE       LYS  95   3.660 -19.834  -4.435
  740   2HE   LYS  95          1HE       LYS  95   2.858 -21.149  -5.292
  741   1HZ   LYS  95          1HZ       LYS  95   3.160 -19.448  -7.283
  742   2HZ   LYS  95          2HZ       LYS  95   4.358 -20.566  -6.861
  743   3HZ   LYS  95          3HZ       LYS  95   4.478 -18.962  -6.339
  744    H    VAL  96           H        VAL  96   3.755 -13.877  -5.095
  745    HA   VAL  96           HA       VAL  96   6.440 -15.062  -5.452
  746    HB   VAL  96           HB       VAL  96   5.081 -13.025  -7.241
  747   1HG1  VAL  96          1HG1      VAL  96   7.725 -14.457  -7.472
  748   2HG1  VAL  96          2HG1      VAL  96   7.448 -12.719  -7.354
  749   3HG1  VAL  96          3HG1      VAL  96   6.957 -13.594  -8.805
  750   1HG2  VAL  96          1HG2      VAL  96   4.288 -15.534  -7.157
  751   2HG2  VAL  96          2HG2      VAL  96   5.732 -15.790  -8.135
  752   3HG2  VAL  96          3HG2      VAL  96   4.472 -14.689  -8.693
  753    H    ASP  97           H        ASP  97   8.207 -13.901  -4.826
  754    HA   ASP  97           HA       ASP  97   7.704 -11.273  -3.582
  755   1HB   ASP  97          2HB       ASP  97   8.379 -13.140  -2.044
  756   2HB   ASP  97          1HB       ASP  97   9.908 -13.239  -2.909
  757    H    VAL  98           H        VAL  98   8.545  -9.595  -4.586
  758    HA   VAL  98           HA       VAL  98  11.020  -9.932  -6.165
  759    HB   VAL  98           HB       VAL  98   8.768  -8.018  -6.840
  760   1HG1  VAL  98          1HG1      VAL  98  11.456  -8.545  -7.970
  761   2HG1  VAL  98          2HG1      VAL  98  10.541  -7.040  -7.871
  762   3HG1  VAL  98          3HG1      VAL  98  10.149  -8.231  -9.111
  763   1HG2  VAL  98          1HG2      VAL  98   8.932 -10.818  -7.344
  764   2HG2  VAL  98          2HG2      VAL  98   9.091  -9.956  -8.874
  765   3HG2  VAL  98          3HG2      VAL  98   7.687  -9.673  -7.845
  766    H    LYS  99           H        LYS  99  12.629  -8.486  -5.745
  767    HA   LYS  99           HA       LYS  99  12.388  -6.752  -3.468
  768   1HB   LYS  99          2HB       LYS  99  14.635  -7.002  -5.487
  769   2HB   LYS  99          1HB       LYS  99  14.739  -6.174  -3.941
  770   1HG   LYS  99          2HG       LYS  99  14.313  -8.324  -2.811
  771   2HG   LYS  99          1HG       LYS  99  14.311  -9.113  -4.388
  772   1HD   LYS  99          2HD       LYS  99  16.613  -8.380  -4.763
  773   2HD   LYS  99          1HD       LYS  99  16.617  -7.581  -3.189
  774   1HE   LYS  99          2HE       LYS  99  16.257  -9.741  -2.096
  775   2HE   LYS  99          1HE       LYS  99  16.251 -10.537  -3.669
  776   1HZ   LYS  99          1HZ       LYS  99  18.564  -9.413  -3.887
  777   2HZ   LYS  99          2HZ       LYS  99  18.406 -10.841  -2.995
  778   3HZ   LYS  99          3HZ       LYS  99  18.501  -9.354  -2.197
  779    H    THR 100           H        THR 100  12.748  -4.446  -3.457
  780    HA   THR 100           HA       THR 100  11.720  -3.137  -5.881
  781    HB   THR 100           HB       THR 100  11.096  -1.261  -4.424
  782    HG1  THR 100           HG1      THR 100  12.719  -2.578  -2.666
  783   1HG2  THR 100          1HG2      THR 100   9.435  -3.006  -4.636
  784   2HG2  THR 100          2HG2      THR 100   9.417  -2.327  -3.008
  785   3HG2  THR 100          3HG2      THR 100  10.170  -3.895  -3.300
  786    H    ASP 101           H        ASP 101  12.785  -1.475  -6.865
  787    HA   ASP 101           HA       ASP 101  15.578  -1.095  -6.072
  788   1HB   ASP 101          1HB       ASP 101  15.899  -0.184  -8.355
  789   2HB   ASP 101          2HB       ASP 101  15.267  -1.824  -8.366
  790    H    LYS 102           H        LYS 102  16.197   1.321  -7.192
  791    HA   LYS 102           HA       LYS 102  15.095   3.136  -5.254
  792   1HB   LYS 102          2HB       LYS 102  16.710   4.755  -6.163
  793   2HB   LYS 102          1HB       LYS 102  17.470   3.225  -5.751
  794   1HG   LYS 102          2HG       LYS 102  17.671   2.608  -8.030
  795   2HG   LYS 102          1HG       LYS 102  16.616   3.922  -8.550
  796   1HD   LYS 102          2HD       LYS 102  19.258   4.389  -7.181
  797   2HD   LYS 102          1HD       LYS 102  19.097   4.260  -8.931
  798   1HE   LYS 102          2HE       LYS 102  17.701   6.289  -7.178
  799   2HE   LYS 102          1HE       LYS 102  19.114   6.598  -8.184
  800   1HZ   LYS 102          1HZ       LYS 102  16.556   5.616  -9.299
  801   2HZ   LYS 102          2HZ       LYS 102  17.865   6.292 -10.127
  802   3HZ   LYS 102          3HZ       LYS 102  16.904   7.262  -9.132
  803    H    TRP 103           H        TRP 103  14.120   2.228  -8.335
  804    HA   TRP 103           HA       TRP 103  13.025   4.850  -9.014
  805   1HB   TRP 103          2HB       TRP 103  12.916   2.271 -10.596
  806   2HB   TRP 103          1HB       TRP 103  12.436   3.862 -11.170
  807    HD1  TRP 103           HD1      TRP 103  15.514   1.716 -10.519
  808    HE1  TRP 103           HE1      TRP 103  17.572   2.861 -11.554
  809    HE3  TRP 103           HE3      TRP 103  13.408   6.204 -11.766
  810    HZ2  TRP 103           HZ2      TRP 103  18.221   5.339 -12.732
  811    HZ3  TRP 103           HZ3      TRP 103  14.819   7.912 -12.841
  812    HH2  TRP 103           HH2      TRP 103  17.177   7.484 -13.312
  813    H    ASP 104           H        ASP 104  12.043   3.136  -6.762
  814    HA   ASP 104           HA       ASP 104   9.247   2.818  -7.626
  815   1HB   ASP 104          2HB       ASP 104  10.850   1.377  -5.524
  816   2HB   ASP 104          1HB       ASP 104   9.092   1.348  -5.515
  817    H    PHE 105           H        PHE 105  11.388   4.492  -5.510
  818    HA   PHE 105           HA       PHE 105   9.184   6.105  -4.542
  819   1HB   PHE 105          2HB       PHE 105  10.332   5.931  -2.151
  820   2HB   PHE 105          1HB       PHE 105   9.067   4.824  -2.656
  821    HD1  PHE 105           HD1      PHE 105  12.825   5.020  -2.883
  822    HD2  PHE 105           HD2      PHE 105   9.368   2.646  -2.143
  823    HE1  PHE 105           HE1      PHE 105  14.257   3.084  -2.404
  824    HE2  PHE 105           HE2      PHE 105  10.796   0.710  -1.654
  825    HZ   PHE 105           HZ       PHE 105  13.246   0.927  -1.784
  826    H    TYR 106           H        TYR 106  10.672   7.173  -6.291
  827    HA   TYR 106           HA       TYR 106  12.234   9.162  -4.871
  828   1HB   TYR 106          2HB       TYR 106  13.951   7.518  -5.402
  829   2HB   TYR 106          1HB       TYR 106  13.436   7.467  -7.079
  830    HD1  TYR 106           HD1      TYR 106  15.203   8.210  -8.348
  831    HD2  TYR 106           HD2      TYR 106  14.197  10.412  -4.836
  832    HE1  TYR 106           HE1      TYR 106  16.866   9.917  -8.941
  833    HE2  TYR 106           HE2      TYR 106  15.856  12.121  -5.435
  834    HH   TYR 106           HH       TYR 106  16.954  12.819  -7.975
  835    H    CYS 107           H        CYS 107  11.376  11.004  -5.502
  836    HA   CYS 107           HA       CYS 107  10.612  11.350  -8.328
  837   1HB   CYS 107          1HB       CYS 107   9.316  12.475  -5.840
  838   2HB   CYS 107          2HB       CYS 107   8.959  13.056  -7.462
  839    H    GLN 108           HN       GLN 108  11.101  13.307  -9.323
  840    HA   GLN 108           HA       GLN 108  13.020  15.004  -7.877
  841   1HB   GLN 108          1HB       GLN 108  12.870  14.328 -10.818
  842   2HB   GLN 108          2HB       GLN 108  13.975  15.499 -10.122
  843   1HG   GLN 108          2HG       GLN 108  15.006  13.732  -8.778
  844   2HG   GLN 108          1HG       GLN 108  13.900  12.559  -9.490
  845   1HE2  GLN 108          1HE2      GLN 108  14.778  11.393 -11.021
  846   2HE2  GLN 108          2HE2      GLN 108  16.010  11.899 -12.120
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1   8.243  16.204  -4.341
    2   2H    MET   1          2HT       MET   1   7.001  15.566  -5.294
    3   3H    MET   1          3HT       MET   1   7.461  17.183  -5.479
    4    HA   MET   1           HA       MET   1   8.487  14.881  -6.745
    5   1HB   MET   1          2HB       MET   1   8.749  17.860  -6.957
    6   2HB   MET   1          1HB       MET   1   9.801  16.833  -7.915
    7   1HG   MET   1          1HG       MET   1   7.945  17.490  -9.256
    8   2HG   MET   1          2HG       MET   1   7.797  15.773  -8.905
    9   1HE   MET   1          1HE       MET   1   6.333  14.671  -7.795
   10   2HE   MET   1          2HE       MET   1   4.729  15.141  -8.358
   11   3HE   MET   1          3HE       MET   1   5.120  15.226  -6.640
   12    H    GLY   2           H        GLY   2   9.828  13.686  -5.391
   13   1HA   GLY   2          2HA       GLY   2  12.536  14.127  -5.475
   14   2HA   GLY   2          1HA       GLY   2  12.021  14.869  -3.970
   15    HA   PRO   3           HA       PRO   3  12.533  10.236  -3.373
   16   1HB   PRO   3          2HB       PRO   3  15.094  10.313  -2.228
   17   2HB   PRO   3          1HB       PRO   3  14.681   9.774  -3.852
   18   1HG   PRO   3          1HG       PRO   3  16.176  12.057  -3.151
   19   2HG   PRO   3          2HG       PRO   3  15.620  11.592  -4.761
   20   1HD   PRO   3          1HD       PRO   3  14.524  13.592  -2.896
   21   2HD   PRO   3          2HD       PRO   3  14.387  13.484  -4.659
   22    H    MET   4           H        MET   4  12.775   9.074  -1.316
   23    HA   MET   4           HA       MET   4  12.902  10.641   1.122
   24   1HB   MET   4          2HB       MET   4  10.674  10.328   1.828
   25   2HB   MET   4          1HB       MET   4  10.515  10.768   0.143
   26   1HG   MET   4          2HG       MET   4  10.424   7.942   1.188
   27   2HG   MET   4          1HG       MET   4   9.011   8.933   0.837
   28   1HE   MET   4          1HE       MET   4   8.475   9.400  -2.411
   29   2HE   MET   4          2HE       MET   4  10.102  10.051  -2.623
   30   3HE   MET   4          3HE       MET   4   9.205  10.385  -1.138
   31    HA   PRO   5           HA       PRO   5  14.260   6.786   2.944
   32   1HB   PRO   5          1HB       PRO   5  12.759   6.392   5.185
   33   2HB   PRO   5          2HB       PRO   5  14.049   7.593   5.087
   34   1HG   PRO   5          2HG       PRO   5  11.093   7.961   4.795
   35   2HG   PRO   5          1HG       PRO   5  12.261   8.951   5.690
   36   1HD   PRO   5          1HD       PRO   5  11.355   9.659   3.246
   37   2HD   PRO   5          2HD       PRO   5  13.018  10.009   3.779
   38    H    LYS   6           H        LYS   6  13.944   4.683   2.526
   39    HA   LYS   6           HA       LYS   6  11.610   3.798   1.204
   40   1HB   LYS   6          1HB       LYS   6  13.860   2.156   2.382
   41   2HB   LYS   6          2HB       LYS   6  12.693   1.602   1.190
   42   1HG   LYS   6          2HG       LYS   6  13.544   3.286  -0.391
   43   2HG   LYS   6          1HG       LYS   6  14.749   3.769   0.797
   44   1HD   LYS   6          1HD       LYS   6  14.515   0.959  -0.264
   45   2HD   LYS   6          2HD       LYS   6  15.550   2.184  -0.996
   46   1HE   LYS   6          2HE       LYS   6  16.768   2.418   1.118
   47   2HE   LYS   6          1HE       LYS   6  15.735   1.189   1.847
   48   1HZ   LYS   6          1HZ       LYS   6  18.004   0.483   0.948
   49   2HZ   LYS   6          2HZ       LYS   6  17.300   0.603  -0.585
   50   3HZ   LYS   6          3HZ       LYS   6  16.667  -0.476   0.553
   51    H    LEU   7           H        LEU   7   9.793   2.902   1.929
   52    HA   LEU   7           HA       LEU   7   9.344   2.639   4.760
   53   1HB   LEU   7          1HB       LEU   7   7.527   1.908   2.457
   54   2HB   LEU   7          2HB       LEU   7   7.054   2.030   4.139
   55    HG   LEU   7           HG       LEU   7   8.035   4.361   2.484
   56   1HD1  LEU   7          1HD2      LEU   7   5.890   4.896   1.931
   57   2HD1  LEU   7          2HD2      LEU   7   5.205   4.078   3.335
   58   3HD1  LEU   7          3HD2      LEU   7   5.755   3.137   1.947
   59   1HD2  LEU   7          1HD1      LEU   7   6.662   5.501   4.439
   60   2HD2  LEU   7          2HD1      LEU   7   8.372   5.105   4.612
   61   3HD2  LEU   7          3HD1      LEU   7   7.146   4.039   5.299
   62    H    ALA   8           H        ALA   8  10.006   0.528   2.073
   63    HA   ALA   8           HA       ALA   8  10.349  -1.722   3.886
   64   1HB   ALA   8          1HB       ALA   8   8.586  -2.009   1.457
   65   2HB   ALA   8          2HB       ALA   8   7.973  -1.795   3.096
   66   3HB   ALA   8          3HB       ALA   8   8.924  -3.223   2.689
   67    H    ASP   9           H        ASP   9  10.913  -3.746   2.255
   68    HA   ASP   9           HA       ASP   9  12.957  -2.719   0.395
   69   1HB   ASP   9          2HB       ASP   9  13.952  -3.654   2.460
   70   2HB   ASP   9          1HB       ASP   9  13.152  -5.189   2.136
   71    H    ARG  10           H        ARG  10  11.025  -5.620   1.182
   72    HA   ARG  10           HA       ARG  10  10.791  -6.139  -1.712
   73   1HB   ARG  10          2HB       ARG  10  11.020  -8.171   0.511
   74   2HB   ARG  10          1HB       ARG  10  10.668  -8.559  -1.166
   75   1HG   ARG  10          2HG       ARG  10  12.834  -7.612  -1.825
   76   2HG   ARG  10          1HG       ARG  10  13.187  -7.276  -0.129
   77   1HD   ARG  10          1HD       ARG  10  12.982  -9.677   0.362
   78   2HD   ARG  10          2HD       ARG  10  12.705  -9.987  -1.350
   79    HE   ARG  10           HE       ARG  10  15.104  -8.577  -1.090
   80   1HH1  ARG  10          1HH1      ARG  10  13.812 -11.741  -0.304
   81   2HH1  ARG  10          2HH1      ARG  10  15.352 -12.523  -0.413
   82   1HH2  ARG  10          1HH2      ARG  10  17.115  -9.621  -1.229
   83   2HH2  ARG  10          2HH2      ARG  10  17.221 -11.325  -0.936
   84    H    LYS  11           H        LYS  11   8.863  -7.355  -2.342
   85    HA   LYS  11           HA       LYS  11   6.571  -7.090  -0.533
   86   1HB   LYS  11          2HB       LYS  11   5.270  -6.045  -2.378
   87   2HB   LYS  11          1HB       LYS  11   6.601  -5.042  -1.816
   88   1HG   LYS  11          2HG       LYS  11   7.924  -6.136  -3.754
   89   2HG   LYS  11          1HG       LYS  11   6.329  -6.549  -4.380
   90   1HD   LYS  11          2HD       LYS  11   5.695  -4.223  -4.406
   91   2HD   LYS  11          1HD       LYS  11   7.229  -3.772  -3.657
   92   1HE   LYS  11          2HE       LYS  11   8.433  -4.615  -5.606
   93   2HE   LYS  11          1HE       LYS  11   6.905  -5.077  -6.357
   94   1HZ   LYS  11          1HZ       LYS  11   7.650  -2.297  -5.617
   95   2HZ   LYS  11          2HZ       LYS  11   6.257  -2.778  -6.447
   96   3HZ   LYS  11          3HZ       LYS  11   7.773  -2.945  -7.176
   97    H    LEU  12           H        LEU  12   4.531  -7.944  -1.790
   98    HA   LEU  12           HA       LEU  12   5.254 -10.528  -3.007
   99   1HB   LEU  12          2HB       LEU  12   2.855  -9.692  -1.383
  100   2HB   LEU  12          1HB       LEU  12   2.812 -11.110  -2.402
  101    HG   LEU  12           HG       LEU  12   3.190 -11.803  -0.146
  102   1HD1  LEU  12          1HD2      LEU  12   4.605 -12.762  -2.128
  103   2HD1  LEU  12          2HD2      LEU  12   4.926 -13.259  -0.466
  104   3HD1  LEU  12          3HD2      LEU  12   5.949 -12.046  -1.237
  105   1HD2  LEU  12          1HD1      LEU  12   4.033  -9.745   0.790
  106   2HD2  LEU  12          2HD1      LEU  12   5.541  -9.930  -0.105
  107   3HD2  LEU  12          3HD1      LEU  12   5.122 -11.080   1.164
  108    H    CYS  13           H        CYS  13   4.543 -11.008  -4.996
  109    HA   CYS  13           HA       CYS  13   2.486  -9.340  -6.256
  110   1HB   CYS  13          2HB       CYS  13   5.212  -9.937  -7.424
  111   2HB   CYS  13          1HB       CYS  13   3.868  -9.287  -8.351
  112    H    ALA  14           H        ALA  14   1.748 -10.321  -8.358
  113    HA   ALA  14           HA       ALA  14   1.296 -13.146  -7.978
  114   1HB   ALA  14          1HB       ALA  14  -0.433 -11.476  -8.793
  115   2HB   ALA  14          2HB       ALA  14  -0.307 -12.983  -9.703
  116   3HB   ALA  14          3HB       ALA  14   0.415 -11.505 -10.341
  117    H    ASP  15           H        ASP  15   3.229 -11.069  -9.986
  118    HA   ASP  15           HA       ASP  15   4.688 -13.379 -11.018
  119   1HB   ASP  15          2HB       ASP  15   3.507 -11.193 -12.742
  120   2HB   ASP  15          1HB       ASP  15   4.804 -12.251 -13.288
  121    H    GLN  16           H        GLN  16   6.725 -12.548 -12.222
  122    HA   GLN  16           HA       GLN  16   8.237 -10.994 -10.397
  123   1HB   GLN  16          2HB       GLN  16   9.084 -12.839 -11.904
  124   2HB   GLN  16          1HB       GLN  16   8.995 -11.697 -13.237
  125   1HG   GLN  16          2HG       GLN  16  10.605 -10.249 -12.108
  126   2HG   GLN  16          1HG       GLN  16  10.687 -11.383 -10.765
  127   1HE2  GLN  16          1HE2      GLN  16  10.393 -13.267 -13.470
  128   2HE2  GLN  16          2HE2      GLN  16  12.062 -13.528 -13.810
  129    H    GLU  17           H        GLU  17   6.193 -10.091 -12.966
  130    HA   GLU  17           HA       GLU  17   7.534  -7.572 -13.521
  131   1HB   GLU  17          2HB       GLU  17   4.945  -8.741 -14.556
  132   2HB   GLU  17          1HB       GLU  17   5.603  -7.200 -15.072
  133   1HG   GLU  17          2HG       GLU  17   6.971  -9.865 -15.406
  134   2HG   GLU  17          1HG       GLU  17   6.056  -9.028 -16.657
  135    H    CYS  18           H        CYS  18   5.059  -8.783 -11.444
  136    HA   CYS  18           HA       CYS  18   3.598  -7.838  -9.979
  137   1HB   CYS  18          1HB       CYS  18   5.535  -5.514 -10.166
  138   2HB   CYS  18          2HB       CYS  18   4.238  -5.628  -8.982
  139    H    SER  19           H        SER  19   3.203  -7.558 -12.842
  140    HA   SER  19           HA       SER  19   1.786  -5.034 -13.145
  141   1HB   SER  19          2HB       SER  19   3.310  -5.711 -14.923
  142   2HB   SER  19          1HB       SER  19   2.414  -7.204 -15.125
  143    HG   SER  19           HG       SER  19   1.790  -4.638 -15.950
  144    H    HIS  20           H        HIS  20   1.107  -8.095 -12.071
  145    HA   HIS  20           HA       HIS  20  -1.622  -8.158 -13.125
  146   1HB   HIS  20          2HB       HIS  20   0.215 -10.162 -11.927
  147   2HB   HIS  20          1HB       HIS  20  -1.505 -10.384 -11.640
  148    HD1  HIS  20           HD1      HIS  20  -0.879 -12.621 -13.038
  149    HD2  HIS  20           HD2      HIS  20  -1.033  -9.070 -15.185
  150    HE1  HIS  20           HE1      HIS  20  -1.205 -13.303 -15.422
  151    HE2  HIS  20           HE2      HIS  20  -1.362 -11.137 -16.707
  152    HA   PRO  21           HA       PRO  21  -3.194  -6.877  -9.143
  153   1HB   PRO  21          1HB       PRO  21  -5.842  -7.373  -9.569
  154   2HB   PRO  21          2HB       PRO  21  -4.971  -6.023 -10.304
  155   1HG   PRO  21          1HG       PRO  21  -6.050  -8.408 -11.567
  156   2HG   PRO  21          2HG       PRO  21  -5.403  -6.944 -12.322
  157   1HD   PRO  21          1HD       PRO  21  -4.107  -9.533 -11.891
  158   2HD   PRO  21          2HD       PRO  21  -3.599  -8.171 -12.918
  159    H    ILE  22           H        ILE  22  -2.856  -8.001  -7.328
  160    HA   ILE  22           HA       ILE  22  -3.327 -10.796  -7.107
  161    HB   ILE  22           HB       ILE  22  -2.816  -8.855  -4.843
  162   1HG1  ILE  22          1HG1      ILE  22  -0.742 -10.519  -6.280
  163   2HG1  ILE  22          2HG1      ILE  22  -1.111  -8.861  -6.759
  164   1HG2  ILE  22          1HG2      ILE  22  -3.587 -11.449  -4.652
  165   2HG2  ILE  22          2HG2      ILE  22  -2.574 -10.629  -3.463
  166   3HG2  ILE  22          3HG2      ILE  22  -1.832 -11.631  -4.709
  167   1HD1  ILE  22          1HD1      ILE  22   0.759  -8.687  -5.380
  168   2HD1  ILE  22          2HD1      ILE  22   0.118  -9.840  -4.210
  169   3HD1  ILE  22          3HD1      ILE  22  -0.595  -8.232  -4.346
  170    H    SER  23           H        SER  23  -4.758  -8.098  -5.248
  171    HA   SER  23           HA       SER  23  -7.292  -9.588  -5.191
  172   1HB   SER  23          2HB       SER  23  -7.545  -8.893  -2.779
  173   2HB   SER  23          1HB       SER  23  -6.257 -10.065  -3.073
  174    HG   SER  23           HG       SER  23  -5.773  -8.155  -1.704
  175    H    MET  24           H        MET  24  -9.091  -8.420  -5.392
  176    HA   MET  24           HA       MET  24  -8.854  -5.565  -5.921
  177   1HB   MET  24          1HB       MET  24 -10.094  -7.067  -7.482
  178   2HB   MET  24          2HB       MET  24 -11.246  -7.396  -6.197
  179   1HG   MET  24          2HG       MET  24 -10.761  -4.566  -6.927
  180   2HG   MET  24          1HG       MET  24 -11.669  -5.566  -8.050
  181   1HE   MET  24          1HE       MET  24 -13.511  -7.000  -7.452
  182   2HE   MET  24          2HE       MET  24 -14.891  -6.342  -6.574
  183   3HE   MET  24          3HE       MET  24 -13.747  -7.401  -5.750
  184    H    ALA  25           H        ALA  25  -9.105  -4.198  -4.260
  185    HA   ALA  25           HA       ALA  25 -10.853  -5.033  -2.037
  186   1HB   ALA  25          1HB       ALA  25  -8.568  -4.913  -1.322
  187   2HB   ALA  25          2HB       ALA  25  -9.457  -3.568  -0.606
  188   3HB   ALA  25          3HB       ALA  25  -8.397  -3.289  -1.988
  189    H    VAL  26           H        VAL  26 -12.234  -3.590  -1.094
  190    HA   VAL  26           HA       VAL  26 -12.932  -1.253  -2.742
  191    HB   VAL  26           HB       VAL  26 -14.563  -2.558  -0.544
  192   1HG1  VAL  26          1HG2      VAL  26 -15.329  -0.548  -2.662
  193   2HG1  VAL  26          2HG2      VAL  26 -15.193  -0.244  -0.930
  194   3HG1  VAL  26          3HG2      VAL  26 -16.446  -1.325  -1.539
  195   1HG2  VAL  26          1HG1      VAL  26 -14.201  -4.112  -2.397
  196   2HG2  VAL  26          2HG1      VAL  26 -14.786  -2.898  -3.533
  197   3HG2  VAL  26          3HG1      VAL  26 -15.881  -3.578  -2.330
  198    H    ALA  27           H        ALA  27 -12.879   0.811  -1.957
  199    HA   ALA  27           HA       ALA  27 -11.376   1.301   0.450
  200   1HB   ALA  27          1HB       ALA  27 -10.957   3.321  -0.419
  201   2HB   ALA  27          2HB       ALA  27 -12.651   3.611  -0.820
  202   3HB   ALA  27          3HB       ALA  27 -11.643   2.647  -1.899
  203    H    LEU  28           H        LEU  28 -12.087   1.864   2.393
  204    HA   LEU  28           HA       LEU  28 -14.973   2.021   2.822
  205   1HB   LEU  28          2HB       LEU  28 -12.679   1.532   4.716
  206   2HB   LEU  28          1HB       LEU  28 -14.352   1.668   5.225
  207    HG   LEU  28           HG       LEU  28 -13.374  -0.426   3.282
  208   1HD1  LEU  28          1HD2      LEU  28 -13.481  -0.407   6.265
  209   2HD1  LEU  28          2HD2      LEU  28 -12.237  -1.043   5.189
  210   3HD1  LEU  28          3HD2      LEU  28 -13.763  -1.907   5.382
  211   1HD2  LEU  28          1HD1      LEU  28 -15.942  -0.053   4.809
  212   2HD2  LEU  28          2HD1      LEU  28 -15.492  -1.558   4.009
  213   3HD2  LEU  28          3HD1      LEU  28 -15.718  -0.089   3.060
  214    H    GLN  29           H        GLN  29 -12.245   4.100   2.746
  215    HA   GLN  29           HA       GLN  29 -13.895   6.302   3.654
  216   1HB   GLN  29          1HB       GLN  29 -12.184   7.110   5.291
  217   2HB   GLN  29          2HB       GLN  29 -13.033   5.652   5.779
  218   1HG   GLN  29          2HG       GLN  29 -11.128   4.294   5.157
  219   2HG   GLN  29          1HG       GLN  29 -10.279   5.717   4.562
  220   1HE2  GLN  29          1HE2      GLN  29 -11.701   7.027   7.109
  221   2HE2  GLN  29          2HE2      GLN  29 -10.564   6.667   8.350
  222    H    ASP  30           H        ASP  30 -12.391   8.390   3.757
  223    HA   ASP  30           HA       ASP  30 -11.250   8.627   1.094
  224   1HB   ASP  30          1HB       ASP  30 -11.812  10.710   3.216
  225   2HB   ASP  30          2HB       ASP  30 -11.229  11.059   1.592
  226    H    TYR  31           H        TYR  31  -9.203   9.529   0.664
  227    HA   TYR  31           HA       TYR  31  -7.286   9.847   2.813
  228   1HB   TYR  31          2HB       TYR  31  -7.341   7.363   2.140
  229   2HB   TYR  31          1HB       TYR  31  -6.652   7.884   0.610
  230    HD1  TYR  31           HD1      TYR  31  -4.357   7.883   0.380
  231    HD2  TYR  31           HD2      TYR  31  -6.009   8.247   4.286
  232    HE1  TYR  31           HE1      TYR  31  -2.095   7.811   1.338
  233    HE2  TYR  31           HE2      TYR  31  -3.749   8.176   5.253
  234    HH   TYR  31           HH       TYR  31  -1.196   7.047   3.882
  235    H    MET  32           H        MET  32  -5.880  11.433   2.326
  236    HA   MET  32           HA       MET  32  -5.740  12.360  -0.460
  237   1HB   MET  32          2HB       MET  32  -5.418  13.774   2.172
  238   2HB   MET  32          1HB       MET  32  -4.713  14.444   0.709
  239   1HG   MET  32          1HG       MET  32  -6.833  15.471   1.121
  240   2HG   MET  32          2HG       MET  32  -6.913  14.481  -0.327
  241   1HE   MET  32          1HE       MET  32  -8.913  13.549   3.702
  242   2HE   MET  32          2HE       MET  32  -7.626  14.718   3.404
  243   3HE   MET  32          3HE       MET  32  -7.254  12.995   3.469
  244    H    ALA  33           H        ALA  33  -3.849  12.351  -1.541
  245    HA   ALA  33           HA       ALA  33  -1.610  10.984  -0.321
  246   1HB   ALA  33          1HB       ALA  33  -0.675  11.363  -2.725
  247   2HB   ALA  33          2HB       ALA  33  -2.350  11.771  -3.091
  248   3HB   ALA  33          3HB       ALA  33  -1.954  10.183  -2.435
  249    HA   PRO  34           HA       PRO  34   0.418  14.983   0.421
  250   1HB   PRO  34          2HB       PRO  34   2.362  13.591   2.030
  251   2HB   PRO  34          1HB       PRO  34   1.084  14.685   2.560
  252   1HG   PRO  34          2HG       PRO  34   1.123  12.006   3.105
  253   2HG   PRO  34          1HG       PRO  34  -0.360  12.977   3.022
  254   1HD   PRO  34          2HD       PRO  34   0.837  11.157   0.963
  255   2HD   PRO  34          1HD       PRO  34  -0.864  11.366   1.432
  256    H    ASP  35           H        ASP  35   2.402  12.026   0.116
  257    HA   ASP  35           HA       ASP  35   4.438  13.467  -1.386
  258   1HB   ASP  35          2HB       ASP  35   4.887  11.767   0.495
  259   2HB   ASP  35          1HB       ASP  35   4.458  10.538  -0.684
  260    H    CYS  36           H        CYS  36   5.325  12.469  -3.362
  261    HA   CYS  36           HA       CYS  36   3.376  12.146  -5.364
  262   1HB   CYS  36          2HB       CYS  36   5.563  13.053  -5.862
  263   2HB   CYS  36          1HB       CYS  36   6.341  11.553  -5.370
  264    H    ARG  37           H        ARG  37   5.157   9.782  -3.466
  265    HA   ARG  37           HA       ARG  37   4.464   7.568  -5.147
  266   1HB   ARG  37          2HB       ARG  37   5.458   6.166  -3.406
  267   2HB   ARG  37          1HB       ARG  37   6.511   7.500  -3.849
  268   1HG   ARG  37          1HG       ARG  37   5.920   8.696  -1.842
  269   2HG   ARG  37          2HG       ARG  37   4.735   7.459  -1.418
  270   1HD   ARG  37          1HD       ARG  37   7.708   7.030  -1.669
  271   2HD   ARG  37          2HD       ARG  37   6.824   7.210  -0.155
  272    HE   ARG  37           HE       ARG  37   5.647   5.121  -1.562
  273   1HH1  ARG  37          1HH1      ARG  37   8.741   5.813  -0.065
  274   2HH1  ARG  37          2HH1      ARG  37   9.072   4.151   0.289
  275   1HH2  ARG  37          1HH2      ARG  37   6.097   2.947  -1.089
  276   2HH2  ARG  37          2HH2      ARG  37   7.576   2.530  -0.291
  277    H    PHE  38           H        PHE  38   2.706   9.273  -2.771
  278    HA   PHE  38           HA       PHE  38   1.088   6.956  -2.037
  279   1HB   PHE  38          2HB       PHE  38   1.189   9.802  -1.092
  280   2HB   PHE  38          1HB       PHE  38  -0.222   8.810  -0.748
  281    HD1  PHE  38           HD1      PHE  38  -0.258   7.469   1.125
  282    HD2  PHE  38           HD2      PHE  38   3.497   8.829  -0.349
  283    HE1  PHE  38           HE1      PHE  38   0.856   6.544   3.112
  284    HE2  PHE  38           HE2      PHE  38   4.614   7.900   1.632
  285    HZ   PHE  38           HZ       PHE  38   3.295   6.756   3.366
  286    H    LEU  39           H        LEU  39  -1.243   6.962  -2.251
  287    HA   LEU  39           HA       LEU  39  -2.137   8.344  -4.706
  288   1HB   LEU  39          1HB       LEU  39  -2.876   5.676  -3.534
  289   2HB   LEU  39          2HB       LEU  39  -3.845   6.450  -4.770
  290    HG   LEU  39           HG       LEU  39  -0.926   5.908  -5.226
  291   1HD1  LEU  39          1HD1      LEU  39  -1.851   3.842  -6.448
  292   2HD1  LEU  39          2HD1      LEU  39  -3.246   4.021  -5.384
  293   3HD1  LEU  39          3HD1      LEU  39  -1.642   3.759  -4.698
  294   1HD2  LEU  39          1HD2      LEU  39  -2.167   7.413  -6.761
  295   2HD2  LEU  39          2HD2      LEU  39  -3.285   6.089  -7.099
  296   3HD2  LEU  39          3HD2      LEU  39  -1.585   5.946  -7.549
  297    H    THR  40           H        THR  40  -4.131   9.329  -4.796
  298    HA   THR  40           HA       THR  40  -5.412   9.886  -2.218
  299    HB   THR  40           HB       THR  40  -5.904  11.195  -4.913
  300    HG1  THR  40           HG1      THR  40  -4.200  12.320  -4.513
  301   1HG2  THR  40          1HG2      THR  40  -7.780  11.538  -3.423
  302   2HG2  THR  40          2HG2      THR  40  -6.868  13.036  -3.612
  303   3HG2  THR  40          3HG2      THR  40  -6.693  12.076  -2.140
  304    H    ILE  41           H        ILE  41  -6.979   8.530  -1.675
  305    HA   ILE  41           HA       ILE  41  -8.666   7.367  -3.798
  306    HB   ILE  41           HB       ILE  41  -8.037   6.244  -1.051
  307   1HG1  ILE  41          2HG1      ILE  41  -7.117   5.299  -3.784
  308   2HG1  ILE  41          1HG1      ILE  41  -6.132   6.256  -2.685
  309   1HG2  ILE  41          1HG2      ILE  41 -10.255   5.569  -1.831
  310   2HG2  ILE  41          2HG2      ILE  41  -9.144   4.201  -1.860
  311   3HG2  ILE  41          3HG2      ILE  41  -9.567   5.025  -3.361
  312   1HD1  ILE  41          1HD1      ILE  41  -6.306   4.419  -1.027
  313   2HD1  ILE  41          2HD1      ILE  41  -5.471   3.975  -2.515
  314   3HD1  ILE  41          3HD1      ILE  41  -7.136   3.458  -2.249
  315    H    HIS  42           H        HIS  42 -10.892   7.245  -3.537
  316    HA   HIS  42           HA       HIS  42 -12.026   8.955  -1.424
  317   1HB   HIS  42          2HB       HIS  42 -13.062   8.361  -4.205
  318   2HB   HIS  42          1HB       HIS  42 -13.977   9.232  -2.982
  319    HD1  HIS  42           HD1      HIS  42 -10.495   9.590  -4.508
  320    HD2  HIS  42           HD2      HIS  42 -13.763  11.887  -3.364
  321    HE1  HIS  42           HE1      HIS  42  -9.883  11.962  -5.080
  322    HE2  HIS  42           HE2      HIS  42 -11.841  13.342  -4.299
  323    H    ARG  43           H        ARG  43 -13.980   8.301  -0.442
  324    HA   ARG  43           HA       ARG  43 -14.111   5.576   0.242
  325   1HB   ARG  43          2HB       ARG  43 -14.830   7.480   1.684
  326   2HB   ARG  43          1HB       ARG  43 -16.229   7.696   0.646
  327   1HG   ARG  43          1HG       ARG  43 -16.996   5.438   1.234
  328   2HG   ARG  43          2HG       ARG  43 -15.604   5.260   2.304
  329   1HD   ARG  43          2HD       ARG  43 -17.564   5.877   3.587
  330   2HD   ARG  43          1HD       ARG  43 -16.384   7.187   3.614
  331    HE   ARG  43           HE       ARG  43 -18.175   7.649   1.513
  332   1HH1  ARG  43          1HH1      ARG  43 -18.182   7.600   5.020
  333   2HH1  ARG  43          2HH1      ARG  43 -19.467   8.753   5.147
  334   1HH2  ARG  43          1HH2      ARG  43 -19.858   9.159   1.701
  335   2HH2  ARG  43          2HH2      ARG  43 -20.416   9.635   3.270
  336    H    GLY  44           H        GLY  44 -14.946   3.918  -0.836
  337   1HA   GLY  44          2HA       GLY  44 -16.844   2.818  -1.791
  338   2HA   GLY  44          1HA       GLY  44 -17.360   4.356  -2.458
  339    H    GLN  45           H        GLN  45 -14.195   4.425  -3.152
  340    HA   GLN  45           HA       GLN  45 -14.660   3.604  -5.875
  341   1HB   GLN  45          1HB       GLN  45 -12.235   4.740  -4.491
  342   2HB   GLN  45          2HB       GLN  45 -12.238   4.279  -6.187
  343   1HG   GLN  45          2HG       GLN  45 -14.195   5.855  -6.472
  344   2HG   GLN  45          1HG       GLN  45 -13.829   6.445  -4.852
  345   1HE2  GLN  45          1HE2      GLN  45 -13.423   7.121  -7.983
  346   2HE2  GLN  45          2HE2      GLN  45 -11.932   7.993  -7.932
  347    H    VAL  46           H        VAL  46 -13.477   2.086  -7.061
  348    HA   VAL  46           HA       VAL  46 -12.754  -0.298  -5.538
  349    HB   VAL  46           HB       VAL  46 -12.864  -0.010  -8.548
  350   1HG1  VAL  46          1HG1      VAL  46 -11.701  -1.982  -7.828
  351   2HG1  VAL  46          2HG1      VAL  46 -13.275  -2.450  -8.469
  352   3HG1  VAL  46          3HG1      VAL  46 -13.011  -2.404  -6.725
  353   1HG2  VAL  46          1HG2      VAL  46 -15.032   0.427  -6.968
  354   2HG2  VAL  46          2HG2      VAL  46 -15.144  -1.312  -7.243
  355   3HG2  VAL  46          3HG2      VAL  46 -15.094  -0.203  -8.615
  356    H    VAL  47           H        VAL  47 -10.673  -0.383  -4.869
  357    HA   VAL  47           HA       VAL  47  -8.585   0.612  -6.698
  358    HB   VAL  47           HB       VAL  47  -8.252   0.120  -3.734
  359   1HG1  VAL  47          1HG1      VAL  47  -6.582   2.053  -5.234
  360   2HG1  VAL  47          2HG1      VAL  47  -6.312   0.342  -5.562
  361   3HG1  VAL  47          3HG1      VAL  47  -6.151   0.960  -3.919
  362   1HG2  VAL  47          1HG2      VAL  47  -9.679   2.228  -5.023
  363   2HG2  VAL  47          2HG2      VAL  47  -8.215   2.888  -4.294
  364   3HG2  VAL  47          3HG2      VAL  47  -9.367   1.991  -3.303
  365    H    TYR  48           H        TYR  48  -7.241  -0.799  -7.605
  366    HA   TYR  48           HA       TYR  48  -7.403  -3.588  -6.779
  367   1HB   TYR  48          2HB       TYR  48  -6.180  -2.320  -9.237
  368   2HB   TYR  48          1HB       TYR  48  -6.141  -4.042  -8.896
  369    HD1  TYR  48           HD1      TYR  48  -7.883  -5.417  -9.601
  370    HD2  TYR  48           HD2      TYR  48  -8.517  -1.212  -9.457
  371    HE1  TYR  48           HE1      TYR  48 -10.035  -5.708 -10.750
  372    HE2  TYR  48           HE2      TYR  48 -10.676  -1.495 -10.599
  373    HH   TYR  48           HH       TYR  48 -12.381  -3.329 -10.889
  374    H    VAL  49           H        VAL  49  -5.839  -4.623  -5.719
  375    HA   VAL  49           HA       VAL  49  -3.414  -3.173  -5.010
  376    HB   VAL  49           HB       VAL  49  -4.260  -5.928  -4.079
  377   1HG1  VAL  49          1HG1      VAL  49  -2.407  -5.962  -2.853
  378   2HG1  VAL  49          2HG1      VAL  49  -2.732  -4.353  -2.208
  379   3HG1  VAL  49          3HG1      VAL  49  -1.871  -4.532  -3.737
  380   1HG2  VAL  49          1HG2      VAL  49  -5.502  -3.447  -3.515
  381   2HG2  VAL  49          2HG2      VAL  49  -4.633  -3.948  -2.064
  382   3HG2  VAL  49          3HG2      VAL  49  -5.826  -5.023  -2.792
  383    H    PHE  50           H        PHE  50  -1.483  -3.529  -5.929
  384    HA   PHE  50           HA       PHE  50  -1.239  -5.820  -7.754
  385   1HB   PHE  50          2HB       PHE  50   0.048  -3.099  -7.786
  386   2HB   PHE  50          1HB       PHE  50   0.694  -4.437  -8.729
  387    HD1  PHE  50           HD1      PHE  50  -2.387  -2.407  -8.217
  388    HD2  PHE  50           HD2      PHE  50  -0.178  -4.949 -10.820
  389    HE1  PHE  50           HE1      PHE  50  -3.966  -1.913 -10.036
  390    HE2  PHE  50           HE2      PHE  50  -1.754  -4.457 -12.642
  391    HZ   PHE  50           HZ       PHE  50  -3.650  -2.937 -12.252
  392    H    SER  51           H        SER  51   0.073  -4.393  -4.891
  393    HA   SER  51           HA       SER  51   1.837  -6.668  -4.557
  394   1HB   SER  51          2HB       SER  51   3.833  -5.266  -4.075
  395   2HB   SER  51          1HB       SER  51   3.319  -5.161  -5.757
  396    HG   SER  51           HG       SER  51   3.795  -3.148  -4.354
  397    H    LYS  52           H        LYS  52   2.724  -6.873  -2.417
  398    HA   LYS  52           HA       LYS  52   1.456  -5.170  -0.366
  399   1HB   LYS  52          2HB       LYS  52   1.764  -8.149   0.000
  400   2HB   LYS  52          1HB       LYS  52   0.876  -7.031   1.005
  401   1HG   LYS  52          1HG       LYS  52  -0.790  -6.733  -0.720
  402   2HG   LYS  52          2HG       LYS  52   0.119  -7.786  -1.807
  403   1HD   LYS  52          1HD       LYS  52  -0.181  -9.651  -0.250
  404   2HD   LYS  52          2HD       LYS  52  -1.092  -8.598   0.835
  405   1HE   LYS  52          2HE       LYS  52  -2.776  -8.256  -0.906
  406   2HE   LYS  52          1HE       LYS  52  -1.865  -9.311  -1.993
  407   1HZ   LYS  52          1HZ       LYS  52  -3.438 -10.010   0.387
  408   2HZ   LYS  52          2HZ       LYS  52  -2.131 -10.993  -0.048
  409   3HZ   LYS  52          3HZ       LYS  52  -3.405 -10.749  -1.135
  410    H    LEU  53           H        LEU  53   3.155  -4.119   0.492
  411    HA   LEU  53           HA       LEU  53   5.813  -5.090   0.464
  412   1HB   LEU  53          1HB       LEU  53   4.663  -2.886   2.177
  413   2HB   LEU  53          2HB       LEU  53   6.360  -3.133   1.803
  414    HG   LEU  53           HG       LEU  53   4.253  -2.463  -0.261
  415   1HD1  LEU  53          1HD2      LEU  53   6.175  -0.390   0.189
  416   2HD1  LEU  53          2HD2      LEU  53   5.358  -0.790   1.700
  417   3HD1  LEU  53          3HD2      LEU  53   4.415  -0.323   0.284
  418   1HD2  LEU  53          1HD1      LEU  53   7.017  -3.283  -0.436
  419   2HD2  LEU  53          2HD1      LEU  53   6.774  -1.687  -1.144
  420   3HD2  LEU  53          3HD1      LEU  53   5.823  -3.060  -1.717
  421    H    LYS  54           H        LYS  54   7.225  -5.487   2.265
  422    HA   LYS  54           HA       LYS  54   5.893  -6.689   4.622
  423   1HB   LYS  54          1HB       LYS  54   8.292  -7.695   3.081
  424   2HB   LYS  54          2HB       LYS  54   7.873  -8.272   4.683
  425   1HG   LYS  54          1HG       LYS  54   5.740  -9.084   3.828
  426   2HG   LYS  54          2HG       LYS  54   6.171  -8.501   2.217
  427   1HD   LYS  54          1HD       LYS  54   6.707 -10.791   2.209
  428   2HD   LYS  54          2HD       LYS  54   8.244  -9.961   2.405
  429   1HE   LYS  54          2HE       LYS  54   8.133 -11.870   3.894
  430   2HE   LYS  54          1HE       LYS  54   8.145 -10.372   4.824
  431   1HZ   LYS  54          1HZ       LYS  54   6.456 -12.283   5.354
  432   2HZ   LYS  54          2HZ       LYS  54   5.554 -11.546   4.129
  433   3HZ   LYS  54          3HZ       LYS  54   6.004 -10.658   5.496
  434    H    GLY  55           H        GLY  55   7.818  -7.173   6.322
  435   1HA   GLY  55          1HA       GLY  55   9.551  -6.359   7.630
  436   2HA   GLY  55          2HA       GLY  55   9.810  -5.087   6.448
  437    H    ARG  56           H        ARG  56   9.879  -3.328   7.684
  438    HA   ARG  56           HA       ARG  56   8.213  -2.857   9.933
  439   1HB   ARG  56          2HB       ARG  56   9.136  -0.531   9.814
  440   2HB   ARG  56          1HB       ARG  56  10.345  -1.803   9.890
  441   1HG   ARG  56          1HG       ARG  56  10.660  -1.613   7.452
  442   2HG   ARG  56          2HG       ARG  56   9.504  -0.279   7.434
  443   1HD   ARG  56          2HD       ARG  56  10.928   1.026   8.874
  444   2HD   ARG  56          1HD       ARG  56  12.045  -0.324   9.048
  445    HE   ARG  56           HE       ARG  56  11.957   1.562   6.915
  446   1HH1  ARG  56          1HH1      ARG  56  12.768  -1.780   7.633
  447   2HH1  ARG  56          2HH1      ARG  56  13.844  -1.926   6.284
  448   1HH2  ARG  56          1HH2      ARG  56  13.377   1.345   5.159
  449   2HH2  ARG  56          2HH2      ARG  56  14.188  -0.160   4.887
  450    H    GLY  57           H        GLY  57   7.866  -2.232   6.542
  451   1HA   GLY  57          1HA       GLY  57   5.445  -0.625   7.067
  452   2HA   GLY  57          2HA       GLY  57   6.386  -0.553   5.584
  453    H    ARG  58           H        ARG  58   5.362  -3.437   7.351
  454    HA   ARG  58           HA       ARG  58   4.414  -4.704   4.998
  455   1HB   ARG  58          2HB       ARG  58   3.684  -6.511   6.477
  456   2HB   ARG  58          1HB       ARG  58   5.326  -6.006   6.815
  457   1HG   ARG  58          1HG       ARG  58   4.652  -4.837   8.772
  458   2HG   ARG  58          2HG       ARG  58   2.956  -5.120   8.394
  459   1HD   ARG  58          2HD       ARG  58   3.295  -7.515   8.598
  460   2HD   ARG  58          1HD       ARG  58   4.996  -7.248   8.959
  461    HE   ARG  58           HE       ARG  58   2.810  -7.067  10.779
  462   1HH1  ARG  58          1HH1      ARG  58   5.998  -5.741  10.138
  463   2HH1  ARG  58          2HH1      ARG  58   6.247  -5.251  11.778
  464   1HH2  ARG  58          1HH2      ARG  58   3.162  -6.418  12.922
  465   2HH2  ARG  58          2HH2      ARG  58   4.645  -5.634  13.352
  466    H    LEU  59           H        LEU  59   2.953  -2.509   7.137
  467    HA   LEU  59           HA       LEU  59   0.235  -3.380   6.641
  468   1HB   LEU  59          2HB       LEU  59   1.303  -0.908   8.014
  469   2HB   LEU  59          1HB       LEU  59  -0.386  -1.366   7.945
  470    HG   LEU  59           HG       LEU  59   1.737  -3.072   9.249
  471   1HD1  LEU  59          1HD2      LEU  59  -0.183  -1.587  10.918
  472   2HD1  LEU  59          2HD2      LEU  59   1.093  -0.630  10.165
  473   3HD1  LEU  59          3HD2      LEU  59   1.508  -1.989  11.210
  474   1HD2  LEU  59          1HD1      LEU  59   0.124  -4.584   9.421
  475   2HD2  LEU  59          2HD1      LEU  59  -1.000  -3.510   8.591
  476   3HD2  LEU  59          3HD1      LEU  59  -0.844  -3.436  10.345
  477    H    PHE  60           H        PHE  60   2.356  -2.147   4.631
  478    HA   PHE  60           HA       PHE  60   0.503  -0.207   3.413
  479   1HB   PHE  60          2HB       PHE  60   3.509  -0.426   3.231
  480   2HB   PHE  60          1HB       PHE  60   2.564   0.561   2.125
  481    HD1  PHE  60           HD1      PHE  60   2.031   2.745   2.671
  482    HD2  PHE  60           HD2      PHE  60   3.292   0.092   5.755
  483    HE1  PHE  60           HE1      PHE  60   2.138   4.630   4.246
  484    HE2  PHE  60           HE2      PHE  60   3.393   1.974   7.335
  485    HZ   PHE  60           HZ       PHE  60   2.816   4.246   6.582
  486    H    TRP  61           H        TRP  61  -0.527  -0.842   1.690
  487    HA   TRP  61           HA       TRP  61   0.527  -3.078   0.100
  488   1HB   TRP  61          2HB       TRP  61  -2.251  -2.157   0.752
  489   2HB   TRP  61          1HB       TRP  61  -1.968  -3.051  -0.731
  490    HD1  TRP  61           HD1      TRP  61   0.274  -4.436   1.885
  491    HE1  TRP  61           HE1      TRP  61  -0.710  -6.594   2.860
  492    HE3  TRP  61           HE3      TRP  61  -4.491  -4.101   0.016
  493    HZ2  TRP  61           HZ2      TRP  61  -3.165  -7.973   2.862
  494    HZ3  TRP  61           HZ3      TRP  61  -6.090  -5.891   0.559
  495    HH2  TRP  61           HH2      TRP  61  -5.439  -7.785   1.953
  496    H    GLY  62           H        GLY  62   1.352  -2.599  -1.805
  497   1HA   GLY  62          2HA       GLY  62   0.967   0.020  -2.989
  498   2HA   GLY  62          1HA       GLY  62   2.024  -1.286  -3.599
  499    H    GLY  63           H        GLY  63   0.414   0.288  -5.273
  500   1HA   GLY  63          2HA       GLY  63  -0.624  -1.291  -7.116
  501   2HA   GLY  63          1HA       GLY  63  -1.921  -1.337  -5.929
  502    H    SER  64           H        SER  64  -3.247  -0.396  -7.600
  503    HA   SER  64           HA       SER  64  -3.267   2.484  -7.428
  504   1HB   SER  64          2HB       SER  64  -2.667   1.054 -10.000
  505   2HB   SER  64          1HB       SER  64  -3.556   2.580 -10.026
  506    HG   SER  64           HG       SER  64  -1.366   3.002 -10.202
  507    H    VAL  65           H        VAL  65  -5.225   3.433  -8.111
  508    HA   VAL  65           HA       VAL  65  -7.516   1.824  -7.603
  509    HB   VAL  65           HB       VAL  65  -7.280   4.247  -6.985
  510   1HG1  VAL  65          1HG1      VAL  65  -8.203   5.187  -9.606
  511   2HG1  VAL  65          2HG1      VAL  65  -6.520   4.666  -9.542
  512   3HG1  VAL  65          3HG1      VAL  65  -7.094   5.927  -8.452
  513   1HG2  VAL  65          1HG2      VAL  65  -9.705   3.488  -8.599
  514   2HG2  VAL  65          2HG2      VAL  65  -9.611   4.891  -7.533
  515   3HG2  VAL  65          3HG2      VAL  65  -9.457   3.266  -6.865
  516    H    GLN  66           H        GLN  66  -9.399   1.736  -9.082
  517    HA   GLN  66           HA       GLN  66  -9.259   0.235 -11.236
  518   1HB   GLN  66          2HB       GLN  66 -11.347   1.109 -10.235
  519   2HB   GLN  66          1HB       GLN  66 -11.099   2.625 -11.089
  520   1HG   GLN  66          2HG       GLN  66 -11.162   1.330 -13.222
  521   2HG   GLN  66          1HG       GLN  66 -11.638  -0.078 -12.280
  522   1HE2  GLN  66          1HE2      GLN  66 -12.927   2.773 -10.959
  523   2HE2  GLN  66          2HE2      GLN  66 -14.502   2.662 -11.653
  524    H    GLY  67           H        GLY  67  -8.708   0.222 -13.327
  525   1HA   GLY  67          1HA       GLY  67  -7.155   2.405 -14.370
  526   2HA   GLY  67          2HA       GLY  67  -7.463   0.869 -15.159
  527    H    ASP  68           H        ASP  68  -9.112   3.891 -14.278
  528    HA   ASP  68           HA       ASP  68 -10.832   3.637 -16.633
  529   1HB   ASP  68          2HB       ASP  68 -11.750   4.197 -14.304
  530   2HB   ASP  68          1HB       ASP  68 -10.985   5.768 -14.494
  531    H    TYR  69           H        TYR  69  -8.031   5.125 -15.513
  532    HA   TYR  69           HA       TYR  69  -6.594   6.694 -16.245
  533   1HB   TYR  69          2HB       TYR  69  -7.898   5.837 -18.810
  534   2HB   TYR  69          1HB       TYR  69  -6.623   7.045 -18.800
  535    HD1  TYR  69           HD1      TYR  69  -4.433   6.345 -19.034
  536    HD2  TYR  69           HD2      TYR  69  -7.312   3.564 -17.585
  537    HE1  TYR  69           HE1      TYR  69  -2.742   4.562 -19.106
  538    HE2  TYR  69           HE2      TYR  69  -5.625   1.777 -17.647
  539    HH   TYR  69           HH       TYR  69  -3.101   1.622 -17.566
  540    H    TYR  70           H        TYR  70  -7.774   8.224 -14.945
  541    HA   TYR  70           HA       TYR  70  -9.473  10.109 -16.381
  542   1HB   TYR  70          1HB       TYR  70  -9.900   9.142 -13.994
  543   2HB   TYR  70          2HB       TYR  70  -8.722  10.344 -13.482
  544    HD1  TYR  70           HD1      TYR  70 -11.819  10.144 -15.575
  545    HD2  TYR  70           HD2      TYR  70  -9.528  12.381 -12.773
  546    HE1  TYR  70           HE1      TYR  70 -13.597  11.842 -15.486
  547    HE2  TYR  70           HE2      TYR  70 -11.299  14.085 -12.675
  548    HH   TYR  70           HH       TYR  70 -13.153  14.890 -13.942
  549    H    GLY  71           H        GLY  71  -6.248   9.707 -15.438
  550   1HA   GLY  71          1HA       GLY  71  -5.306  12.014 -16.703
  551   2HA   GLY  71          2HA       GLY  71  -5.432  12.367 -14.986
  552    H    ASP  72           H        ASP  72  -4.362  10.754 -13.518
  553    HA   ASP  72           HA       ASP  72  -2.121   9.315 -14.684
  554   1HB   ASP  72          2HB       ASP  72  -0.512  10.456 -13.088
  555   2HB   ASP  72          1HB       ASP  72  -1.077  11.442 -14.433
  556    H    LEU  73           H        LEU  73  -4.483   8.477 -13.326
  557    HA   LEU  73           HA       LEU  73  -3.796   7.800 -10.616
  558   1HB   LEU  73          1HB       LEU  73  -6.089   6.990 -12.399
  559   2HB   LEU  73          2HB       LEU  73  -5.910   6.420 -10.752
  560    HG   LEU  73           HG       LEU  73  -6.134   9.343 -11.483
  561   1HD1  LEU  73          1HD1      LEU  73  -8.342   9.154 -11.634
  562   2HD1  LEU  73          2HD1      LEU  73  -8.420   8.242 -10.127
  563   3HD1  LEU  73          3HD1      LEU  73  -8.137   7.403 -11.653
  564   1HD2  LEU  73          1HD2      LEU  73  -7.028   8.977  -8.910
  565   2HD2  LEU  73          2HD2      LEU  73  -5.433   9.572  -9.370
  566   3HD2  LEU  73          3HD2      LEU  73  -5.666   7.860  -9.015
  567    H    ALA  74           H        ALA  74  -4.797   5.588 -13.242
  568    HA   ALA  74           HA       ALA  74  -2.982   3.574 -12.140
  569   1HB   ALA  74          1HB       ALA  74  -5.114   3.200 -14.248
  570   2HB   ALA  74          2HB       ALA  74  -5.383   3.004 -12.515
  571   3HB   ALA  74          3HB       ALA  74  -4.252   1.942 -13.356
  572    H    ALA  75           H        ALA  75  -1.306   5.169 -13.131
  573    HA   ALA  75           HA       ALA  75  -0.433   3.984 -15.649
  574   1HB   ALA  75          1HB       ALA  75   0.168   6.721 -15.913
  575   2HB   ALA  75          2HB       ALA  75  -1.538   6.613 -15.484
  576   3HB   ALA  75          3HB       ALA  75  -0.929   5.750 -16.895
  577    H    ARG  76           H        ARG  76   0.316   6.234 -13.003
  578    HA   ARG  76           HA       ARG  76   3.160   5.795 -13.405
  579   1HB   ARG  76          1HB       ARG  76   3.483   7.537 -11.684
  580   2HB   ARG  76          2HB       ARG  76   2.497   8.090 -13.030
  581   1HG   ARG  76          2HG       ARG  76   0.483   7.820 -11.709
  582   2HG   ARG  76          1HG       ARG  76   1.426   7.165 -10.370
  583   1HD   ARG  76          2HD       ARG  76   0.893   9.495  -9.963
  584   2HD   ARG  76          1HD       ARG  76   2.629   9.295 -10.188
  585    HE   ARG  76           HE       ARG  76   1.480   9.942 -12.660
  586   1HH1  ARG  76          1HH1      ARG  76   2.088  11.450  -9.552
  587   2HH1  ARG  76          2HH1      ARG  76   2.193  13.044 -10.218
  588   1HH2  ARG  76          1HH2      ARG  76   1.621  12.040 -13.514
  589   2HH2  ARG  76          2HH2      ARG  76   1.928  13.379 -12.458
  590    H    LEU  77           H        LEU  77   0.653   4.640 -11.501
  591    HA   LEU  77           HA       LEU  77   0.458   3.086  -9.864
  592   1HB   LEU  77          2HB       LEU  77   2.117   1.894 -11.312
  593   2HB   LEU  77          1HB       LEU  77   3.396   2.541 -10.310
  594    HG   LEU  77           HG       LEU  77   2.684   1.223  -8.424
  595   1HD1  LEU  77          1HD2      LEU  77   0.538   0.732  -8.167
  596   2HD1  LEU  77          2HD2      LEU  77   0.741  -0.514  -9.398
  597   3HD1  LEU  77          3HD2      LEU  77   0.184   1.095  -9.858
  598   1HD2  LEU  77          1HD1      LEU  77   3.888   0.222 -10.555
  599   2HD2  LEU  77          2HD1      LEU  77   2.420  -0.757 -10.610
  600   3HD2  LEU  77          3HD1      LEU  77   3.446  -0.785  -9.174
  601    H    GLY  78           H        GLY  78   0.568   2.944  -7.587
  602   1HA   GLY  78          1HA       GLY  78   2.589   4.586  -6.239
  603   2HA   GLY  78          2HA       GLY  78   0.918   5.085  -6.064
  604    H    TYR  79           H        TYR  79   1.161   4.823  -3.806
  605    HA   TYR  79           HA       TYR  79   0.795   2.046  -2.926
  606   1HB   TYR  79          2HB       TYR  79   2.542   4.074  -1.498
  607   2HB   TYR  79          1HB       TYR  79   2.165   2.454  -0.918
  608    HD1  TYR  79           HD1      TYR  79   4.197   4.432  -3.219
  609    HD2  TYR  79           HD2      TYR  79   3.173   0.487  -1.998
  610    HE1  TYR  79           HE1      TYR  79   6.163   3.560  -4.406
  611    HE2  TYR  79           HE2      TYR  79   5.135  -0.394  -3.183
  612    HH   TYR  79           HH       TYR  79   6.686   1.002  -5.469
  613    H    PHE  80           H        PHE  80  -0.358   1.820  -0.920
  614    HA   PHE  80           HA       PHE  80  -1.634   4.135   0.246
  615   1HB   PHE  80          2HB       PHE  80  -3.954   3.257  -0.159
  616   2HB   PHE  80          1HB       PHE  80  -3.139   3.834  -1.609
  617    HD1  PHE  80           HD1      PHE  80  -4.383   0.862   0.170
  618    HD2  PHE  80           HD2      PHE  80  -2.567   2.328  -3.392
  619    HE1  PHE  80           HE1      PHE  80  -4.854  -1.277  -0.948
  620    HE2  PHE  80           HE2      PHE  80  -3.035   0.190  -4.512
  621    HZ   PHE  80           HZ       PHE  80  -4.180  -1.614  -3.291
  622    HA   PRO  81           HA       PRO  81  -1.448   1.434   3.789
  623   1HB   PRO  81          2HB       PRO  81  -3.724   2.810   5.013
  624   2HB   PRO  81          1HB       PRO  81  -2.033   2.794   5.512
  625   1HG   PRO  81          2HG       PRO  81  -3.202   4.993   4.485
  626   2HG   PRO  81          1HG       PRO  81  -1.491   4.615   4.212
  627   1HD   PRO  81          2HD       PRO  81  -3.835   4.198   2.390
  628   2HD   PRO  81          1HD       PRO  81  -2.213   4.818   2.014
  629    H    SER  82           H        SER  82  -2.274  -0.522   4.251
  630    HA   SER  82           HA       SER  82  -4.524  -1.538   2.883
  631   1HB   SER  82          2HB       SER  82  -4.143  -3.589   4.179
  632   2HB   SER  82          1HB       SER  82  -2.617  -2.936   3.583
  633    HG   SER  82           HG       SER  82  -2.635  -1.839   5.783
  634    H    SER  83           H        SER  83  -4.212   0.106   5.880
  635    HA   SER  83           HA       SER  83  -6.454  -0.897   7.260
  636   1HB   SER  83          1HB       SER  83  -5.085   1.788   7.488
  637   2HB   SER  83          2HB       SER  83  -6.239   1.133   8.650
  638    HG   SER  83           HG       SER  83  -4.069   0.741   9.270
  639    H    ILE  84           H        ILE  84  -6.263   1.366   4.606
  640    HA   ILE  84           HA       ILE  84  -8.945   2.371   5.202
  641    HB   ILE  84           HB       ILE  84  -8.683   3.962   3.423
  642   1HG1  ILE  84          1HG1      ILE  84  -5.901   2.901   2.939
  643   2HG1  ILE  84          2HG1      ILE  84  -7.288   2.404   1.967
  644   1HG2  ILE  84          1HG2      ILE  84  -7.369   5.368   4.607
  645   2HG2  ILE  84          2HG2      ILE  84  -6.049   4.205   4.742
  646   3HG2  ILE  84          3HG2      ILE  84  -7.460   4.063   5.790
  647   1HD1  ILE  84          1HD1      ILE  84  -7.391   5.171   2.005
  648   2HD1  ILE  84          2HD1      ILE  84  -6.886   4.136   0.669
  649   3HD1  ILE  84          3HD1      ILE  84  -5.686   4.776   1.792
  650    H    VAL  85           H        VAL  85  -7.671  -0.238   3.577
  651    HA   VAL  85           HA       VAL  85 -10.030  -0.338   1.805
  652    HB   VAL  85           HB       VAL  85  -8.718  -1.785   0.257
  653   1HG1  VAL  85          1HG1      VAL  85  -8.158   1.071   0.758
  654   2HG1  VAL  85          2HG1      VAL  85  -8.809   0.273  -0.673
  655   3HG1  VAL  85          3HG1      VAL  85  -7.074   0.237  -0.356
  656   1HG2  VAL  85          1HG2      VAL  85  -6.602  -2.433   0.619
  657   2HG2  VAL  85          2HG2      VAL  85  -6.915  -2.005   2.302
  658   3HG2  VAL  85          3HG2      VAL  85  -6.121  -0.849   1.232
  659    H    ARG  86           H        ARG  86 -10.725  -2.553   1.218
  660    HA   ARG  86           HA       ARG  86 -10.136  -4.537   3.297
  661   1HB   ARG  86          2HB       ARG  86 -12.177  -3.219   3.901
  662   2HB   ARG  86          1HB       ARG  86 -12.939  -3.821   2.436
  663   1HG   ARG  86          1HG       ARG  86 -12.811  -6.091   3.246
  664   2HG   ARG  86          2HG       ARG  86 -11.926  -5.560   4.677
  665   1HD   ARG  86          1HD       ARG  86 -14.252  -5.929   5.235
  666   2HD   ARG  86          2HD       ARG  86 -13.861  -4.215   5.358
  667    HE   ARG  86           HE       ARG  86 -15.416  -3.796   3.749
  668   1HH1  ARG  86          1HH1      ARG  86 -14.588  -7.203   3.520
  669   2HH1  ARG  86          2HH1      ARG  86 -15.759  -7.519   2.285
  670   1HH2  ARG  86          1HH2      ARG  86 -16.942  -4.238   2.134
  671   2HH2  ARG  86          2HH2      ARG  86 -17.089  -5.844   1.502
  672    H    GLU  87           H        GLU  87  -9.437  -6.289   2.291
  673    HA   GLU  87           HA       GLU  87  -9.896  -6.866  -0.440
  674   1HB   GLU  87          2HB       GLU  87  -7.851  -7.465   0.797
  675   2HB   GLU  87          1HB       GLU  87  -8.777  -8.565   1.805
  676   1HG   GLU  87          2HG       GLU  87  -8.696  -8.906  -1.149
  677   2HG   GLU  87          1HG       GLU  87  -7.369  -9.456  -0.140
  678    H    ASP  88           H        ASP  88 -11.473  -8.037  -1.367
  679    HA   ASP  88           HA       ASP  88 -13.230  -9.641   0.367
  680   1HB   ASP  88          2HB       ASP  88 -14.310  -7.505  -0.260
  681   2HB   ASP  88          1HB       ASP  88 -14.106  -7.914  -1.959
  682    H    GLN  89           H        GLN  89 -11.784  -9.213  -2.826
  683    HA   GLN  89           HA       GLN  89 -12.210 -12.084  -3.322
  684   1HB   GLN  89          2HB       GLN  89 -13.922 -10.373  -4.447
  685   2HB   GLN  89          1HB       GLN  89 -12.628 -10.233  -5.621
  686   1HG   GLN  89          2HG       GLN  89 -14.100 -12.749  -4.862
  687   2HG   GLN  89          1HG       GLN  89 -14.274 -11.838  -6.358
  688   1HE2  GLN  89          1HE2      GLN  89 -12.591 -11.896  -7.891
  689   2HE2  GLN  89          2HE2      GLN  89 -11.413 -13.163  -7.889
  690    H    THR  90           H        THR  90 -10.409 -13.057  -4.029
  691    HA   THR  90           HA       THR  90  -8.113 -11.449  -4.855
  692    HB   THR  90           HB       THR  90  -8.334 -14.436  -4.405
  693    HG1  THR  90           HG1      THR  90  -7.457 -12.358  -2.701
  694   1HG2  THR  90          1HG2      THR  90  -6.278 -13.141  -5.677
  695   2HG2  THR  90          2HG2      THR  90  -6.173 -14.705  -4.867
  696   3HG2  THR  90          3HG2      THR  90  -5.723 -13.233  -4.006
  697    H    LEU  91           H        LEU  91  -7.617 -11.148  -6.943
  698    HA   LEU  91           HA       LEU  91  -9.169 -12.502  -8.984
  699   1HB   LEU  91          1HB       LEU  91  -7.035 -10.403  -9.343
  700   2HB   LEU  91          2HB       LEU  91  -8.245 -10.888 -10.513
  701    HG   LEU  91           HG       LEU  91  -8.847  -9.495  -7.898
  702   1HD1  LEU  91          1HD2      LEU  91  -7.820  -7.836  -9.109
  703   2HD1  LEU  91          2HD2      LEU  91  -9.499  -7.652  -9.621
  704   3HD1  LEU  91          3HD2      LEU  91  -8.346  -8.490 -10.660
  705   1HD2  LEU  91          1HD1      LEU  91 -10.615 -10.113 -10.262
  706   2HD2  LEU  91          2HD1      LEU  91 -11.076  -9.168  -8.846
  707   3HD2  LEU  91          3HD1      LEU  91 -10.692 -10.882  -8.676
  708    H    LYS  92           H        LYS  92  -5.799 -12.262  -7.976
  709    HA   LYS  92           HA       LYS  92  -5.235 -14.769  -9.292
  710   1HB   LYS  92          2HB       LYS  92  -4.866 -12.879 -10.990
  711   2HB   LYS  92          1HB       LYS  92  -3.475 -12.431 -10.015
  712   1HG   LYS  92          2HG       LYS  92  -2.284 -14.311 -10.581
  713   2HG   LYS  92          1HG       LYS  92  -3.731 -15.262 -10.907
  714   1HD   LYS  92          1HD       LYS  92  -2.800 -12.982 -12.656
  715   2HD   LYS  92          2HD       LYS  92  -2.369 -14.667 -12.934
  716   1HE   LYS  92          2HE       LYS  92  -4.739 -15.241 -13.156
  717   2HE   LYS  92          1HE       LYS  92  -5.173 -13.555 -12.876
  718   1HZ   LYS  92          1HZ       LYS  92  -3.453 -14.458 -15.119
  719   2HZ   LYS  92          2HZ       LYS  92  -4.120 -12.920 -14.895
  720   3HZ   LYS  92          3HZ       LYS  92  -5.125 -14.233 -15.252
  721    HA   PRO  93           HA       PRO  93  -3.093 -15.292  -5.393
  722   1HB   PRO  93          2HB       PRO  93  -1.369 -17.160  -6.856
  723   2HB   PRO  93          1HB       PRO  93  -2.369 -17.429  -5.439
  724   1HG   PRO  93          1HG       PRO  93  -2.966 -18.300  -7.969
  725   2HG   PRO  93          2HG       PRO  93  -4.135 -18.092  -6.655
  726   1HD   PRO  93          1HD       PRO  93  -3.824 -16.548  -9.091
  727   2HD   PRO  93          2HD       PRO  93  -5.126 -16.525  -7.897
  728    H    GLY  94           H        GLY  94  -1.548 -14.144  -4.507
  729   1HA   GLY  94          1HA       GLY  94   0.750 -13.287  -6.156
  730   2HA   GLY  94          2HA       GLY  94   0.101 -12.378  -4.793
  731    H    LYS  95           H        LYS  95   1.912 -15.186  -5.762
  732    HA   LYS  95           HA       LYS  95   3.002 -15.403  -3.045
  733   1HB   LYS  95          1HB       LYS  95   3.273 -17.898  -3.645
  734   2HB   LYS  95          2HB       LYS  95   1.679 -17.305  -3.199
  735   1HG   LYS  95          2HG       LYS  95   1.100 -17.118  -5.573
  736   2HG   LYS  95          1HG       LYS  95   2.684 -17.773  -5.995
  737   1HD   LYS  95          2HD       LYS  95   2.124 -19.827  -4.735
  738   2HD   LYS  95          1HD       LYS  95   0.515 -19.165  -4.428
  739   1HE   LYS  95          2HE       LYS  95   0.441 -20.712  -6.294
  740   2HE   LYS  95          1HE       LYS  95   0.106 -19.072  -6.846
  741   1HZ   LYS  95          1HZ       LYS  95   1.751 -20.576  -8.149
  742   2HZ   LYS  95          2HZ       LYS  95   2.859 -20.093  -6.966
  743   3HZ   LYS  95          3HZ       LYS  95   2.102 -18.934  -7.937
  744    H    VAL  96           H        VAL  96   4.068 -13.912  -5.309
  745    HA   VAL  96           HA       VAL  96   6.645 -15.314  -5.627
  746    HB   VAL  96           HB       VAL  96   5.426 -13.394  -7.633
  747   1HG1  VAL  96          1HG1      VAL  96   7.727 -15.208  -8.212
  748   2HG1  VAL  96          2HG1      VAL  96   8.010 -13.691  -7.357
  749   3HG1  VAL  96          3HG1      VAL  96   7.286 -13.675  -8.965
  750   1HG2  VAL  96          1HG2      VAL  96   5.864 -16.123  -8.538
  751   2HG2  VAL  96          2HG2      VAL  96   4.444 -15.091  -8.702
  752   3HG2  VAL  96          3HG2      VAL  96   4.689 -16.026  -7.226
  753    H    ASP  97           H        ASP  97   8.036 -14.356  -4.292
  754    HA   ASP  97           HA       ASP  97   7.758 -11.652  -3.407
  755   1HB   ASP  97          2HB       ASP  97   8.679 -13.541  -2.028
  756   2HB   ASP  97          1HB       ASP  97  10.127 -13.492  -3.026
  757    H    VAL  98           H        VAL  98   8.411  -9.892  -4.403
  758    HA   VAL  98           HA       VAL  98  10.773  -9.990  -6.170
  759    HB   VAL  98           HB       VAL  98   8.340  -8.256  -6.686
  760   1HG1  VAL  98          1HG1      VAL  98  10.828  -8.829  -8.287
  761   2HG1  VAL  98          2HG1      VAL  98  10.307  -7.283  -7.617
  762   3HG1  VAL  98          3HG1      VAL  98   9.405  -8.019  -8.942
  763   1HG2  VAL  98          1HG2      VAL  98   8.288 -10.934  -7.010
  764   2HG2  VAL  98          2HG2      VAL  98   8.946 -10.439  -8.569
  765   3HG2  VAL  98          3HG2      VAL  98   7.394  -9.802  -8.025
  766    H    LYS  99           H        LYS  99  12.284  -8.457  -5.744
  767    HA   LYS  99           HA       LYS  99  11.893  -6.698  -3.493
  768   1HB   LYS  99          1HB       LYS  99  14.254  -6.050  -3.879
  769   2HB   LYS  99          2HB       LYS  99  14.039  -7.790  -3.768
  770   1HG   LYS  99          2HG       LYS  99  14.202  -8.010  -6.154
  771   2HG   LYS  99          1HG       LYS  99  14.320  -6.260  -6.338
  772   1HD   LYS  99          2HD       LYS  99  16.410  -6.277  -5.057
  773   2HD   LYS  99          1HD       LYS  99  16.285  -8.028  -4.878
  774   1HE   LYS  99          2HE       LYS  99  16.412  -8.281  -7.309
  775   2HE   LYS  99          1HE       LYS  99  16.538  -6.532  -7.485
  776   1HZ   LYS  99          1HZ       LYS  99  18.531  -8.455  -6.549
  777   2HZ   LYS  99          2HZ       LYS  99  18.547  -6.915  -5.850
  778   3HZ   LYS  99          3HZ       LYS  99  18.725  -7.086  -7.523
  779    H    THR 100           H        THR 100  12.522  -4.351  -3.616
  780    HA   THR 100           HA       THR 100  11.211  -3.135  -5.941
  781    HB   THR 100           HB       THR 100  10.994  -1.120  -4.571
  782    HG1  THR 100           HG1      THR 100  12.721  -2.539  -2.890
  783   1HG2  THR 100          1HG2      THR 100   9.200  -1.875  -3.524
  784   2HG2  THR 100          2HG2      THR 100  10.163  -2.900  -2.459
  785   3HG2  THR 100          3HG2      THR 100   9.672  -3.493  -4.045
  786    H    ASP 101           H        ASP 101  12.090  -1.328  -7.018
  787    HA   ASP 101           HA       ASP 101  15.030  -1.140  -6.885
  788   1HB   ASP 101          2HB       ASP 101  13.171  -0.753  -9.240
  789   2HB   ASP 101          1HB       ASP 101  14.902  -0.439  -9.282
  790    H    LYS 102           H        LYS 102  15.481   1.138  -8.338
  791    HA   LYS 102           HA       LYS 102  14.549   3.145  -6.478
  792   1HB   LYS 102          2HB       LYS 102  16.135   4.667  -7.634
  793   2HB   LYS 102          1HB       LYS 102  16.882   3.235  -6.952
  794   1HG   LYS 102          1HG       LYS 102  17.957   3.370  -8.944
  795   2HG   LYS 102          2HG       LYS 102  16.616   2.325  -9.403
  796   1HD   LYS 102          2HD       LYS 102  16.693   3.880 -11.122
  797   2HD   LYS 102          1HD       LYS 102  15.445   4.532 -10.064
  798   1HE   LYS 102          2HE       LYS 102  17.069   6.070  -9.088
  799   2HE   LYS 102          1HE       LYS 102  18.332   5.402 -10.122
  800   1HZ   LYS 102          1HZ       LYS 102  17.261   6.246 -12.039
  801   2HZ   LYS 102          2HZ       LYS 102  17.310   7.515 -10.922
  802   3HZ   LYS 102          3HZ       LYS 102  15.868   6.668 -11.176
  803    H    TRP 103           H        TRP 103  13.144   1.910  -9.103
  804    HA   TRP 103           HA       TRP 103  12.091   4.496 -10.042
  805   1HB   TRP 103          2HB       TRP 103  11.899   1.778 -11.358
  806   2HB   TRP 103          1HB       TRP 103  11.245   3.272 -12.007
  807    HD1  TRP 103           HD1      TRP 103  14.452   1.295 -11.728
  808    HE1  TRP 103           HE1      TRP 103  16.272   2.435 -13.147
  809    HE3  TRP 103           HE3      TRP 103  12.056   5.691 -12.733
  810    HZ2  TRP 103           HZ2      TRP 103  16.650   4.884 -14.496
  811    HZ3  TRP 103           HZ3      TRP 103  13.221   7.390 -14.087
  812    HH2  TRP 103           HH2      TRP 103  15.474   6.992 -14.941
  813    H    ASP 104           H        ASP 104  11.384   2.768  -7.610
  814    HA   ASP 104           HA       ASP 104   8.546   2.294  -8.169
  815   1HB   ASP 104          2HB       ASP 104  10.383   1.319  -5.988
  816   2HB   ASP 104          1HB       ASP 104   8.642   1.101  -5.909
  817    H    PHE 105           H        PHE 105  10.700   4.161  -6.107
  818    HA   PHE 105           HA       PHE 105   8.473   5.911  -5.428
  819   1HB   PHE 105          2HB       PHE 105   9.540   5.944  -2.989
  820   2HB   PHE 105          1HB       PHE 105   8.282   4.800  -3.436
  821    HD1  PHE 105           HD1      PHE 105  12.037   5.026  -3.398
  822    HD2  PHE 105           HD2      PHE 105   8.565   2.612  -2.891
  823    HE1  PHE 105           HE1      PHE 105  13.449   3.140  -2.710
  824    HE2  PHE 105           HE2      PHE 105   9.975   0.725  -2.196
  825    HZ   PHE 105           HZ       PHE 105  12.423   0.988  -2.105
  826    H    TYR 106           H        TYR 106   9.983   6.828  -7.198
  827    HA   TYR 106           HA       TYR 106  11.623   8.867  -5.929
  828   1HB   TYR 106          2HB       TYR 106  13.158   6.982  -6.352
  829   2HB   TYR 106          1HB       TYR 106  12.703   6.983  -8.044
  830    HD1  TYR 106           HD1      TYR 106  14.964   7.087  -8.728
  831    HD2  TYR 106           HD2      TYR 106  13.381  10.204  -6.294
  832    HE1  TYR 106           HE1      TYR 106  16.909   8.469  -9.263
  833    HE2  TYR 106           HE2      TYR 106  15.316  11.614  -6.844
  834    HH   TYR 106           HH       TYR 106  18.042  10.704  -7.788
  835    H    CYS 107           H        CYS 107  10.201  10.422  -6.623
  836    HA   CYS 107           HA       CYS 107   9.607  10.629  -9.486
  837   1HB   CYS 107          2HB       CYS 107   8.493  12.208  -7.167
  838   2HB   CYS 107          1HB       CYS 107   7.955  12.321  -8.835
  839    H    GLN 108           HN       GLN 108  11.542  11.396 -10.279
  840    HA   GLN 108           HA       GLN 108  12.626  13.872  -9.205
  841   1HB   GLN 108          1HB       GLN 108  14.104  11.907  -9.726
  842   2HB   GLN 108          2HB       GLN 108  13.716  12.132 -11.425
  843   1HG   GLN 108          2HG       GLN 108  14.641  14.420 -11.275
  844   2HG   GLN 108          1HG       GLN 108  15.138  14.062  -9.623
  845   1HE2  GLN 108          1HE2      GLN 108  17.204  13.608  -9.479
  846   2HE2  GLN 108          2HE2      GLN 108  18.152  12.758 -10.646
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1   6.050  13.706  -6.261
    2   2H    MET   1          2HT       MET   1   6.692  15.270  -6.229
    3   3H    MET   1          3HT       MET   1   7.370  14.059  -5.264
    4    HA   MET   1           HA       MET   1   7.835  12.822  -7.421
    5   1HB   MET   1          2HB       MET   1   7.347  15.647  -8.419
    6   2HB   MET   1          1HB       MET   1   8.060  14.352  -9.371
    7   1HG   MET   1          1HG       MET   1   6.003  13.072  -9.213
    8   2HG   MET   1          2HG       MET   1   5.284  14.327  -8.205
    9   1HE   MET   1          1HE       MET   1   3.869  13.329 -11.223
   10   2HE   MET   1          2HE       MET   1   3.152  14.940 -11.254
   11   3HE   MET   1          3HE       MET   1   3.340  14.088  -9.721
   12    H    GLY   2           H        GLY   2   9.506  12.751  -5.727
   13   1HA   GLY   2          2HA       GLY   2  11.843  14.259  -6.562
   14   2HA   GLY   2          1HA       GLY   2  11.305  14.593  -4.925
   15    HA   PRO   3           HA       PRO   3  13.960  10.709  -4.968
   16   1HB   PRO   3          2HB       PRO   3  16.333  11.912  -4.087
   17   2HB   PRO   3          1HB       PRO   3  15.982  11.357  -5.715
   18   1HG   PRO   3          1HG       PRO   3  16.335  14.016  -4.854
   19   2HG   PRO   3          2HG       PRO   3  15.856  13.463  -6.458
   20   1HD   PRO   3          1HD       PRO   3  14.216  14.577  -4.284
   21   2HD   PRO   3          2HD       PRO   3  13.903  14.514  -6.028
   22    H    MET   4           H        MET   4  13.374   9.645  -3.221
   23    HA   MET   4           HA       MET   4  13.870  10.820  -0.555
   24   1HB   MET   4          1HB       MET   4  11.553   9.031  -1.291
   25   2HB   MET   4          2HB       MET   4  11.785   9.903   0.214
   26   1HG   MET   4          2HG       MET   4  11.467  12.018  -0.937
   27   2HG   MET   4          1HG       MET   4  11.279  11.165  -2.469
   28   1HE   MET   4          1HE       MET   4   9.664   8.568  -1.279
   29   2HE   MET   4          2HE       MET   4   9.314   9.310  -2.843
   30   3HE   MET   4          3HE       MET   4   8.013   9.047  -1.680
   31    HA   PRO   5           HA       PRO   5  15.785   6.920   0.547
   32   1HB   PRO   5          1HB       PRO   5  14.987   6.402   3.066
   33   2HB   PRO   5          2HB       PRO   5  16.060   7.751   2.685
   34   1HG   PRO   5          1HG       PRO   5  13.108   7.764   3.173
   35   2HG   PRO   5          2HG       PRO   5  14.348   8.873   3.789
   36   1HD   PRO   5          1HD       PRO   5  12.759   9.453   1.662
   37   2HD   PRO   5          2HD       PRO   5  14.409  10.083   1.837
   38    H    LYS   6           H        LYS   6  15.225   4.681   1.708
   39    HA   LYS   6           HA       LYS   6  13.002   3.591   0.201
   40   1HB   LYS   6          1HB       LYS   6  15.026   2.131   1.899
   41   2HB   LYS   6          2HB       LYS   6  13.961   1.432   0.690
   42   1HG   LYS   6          2HG       LYS   6  15.130   2.718  -1.054
   43   2HG   LYS   6          1HG       LYS   6  16.227   3.346   0.172
   44   1HD   LYS   6          2HD       LYS   6  15.874   0.404  -0.368
   45   2HD   LYS   6          1HD       LYS   6  17.091   1.394  -1.173
   46   1HE   LYS   6          1HE       LYS   6  18.067   1.961   1.002
   47   2HE   LYS   6          2HE       LYS   6  16.852   0.966   1.805
   48   1HZ   LYS   6          1HZ       LYS   6  17.762  -0.979   0.910
   49   2HZ   LYS   6          2HZ       LYS   6  19.101  -0.079   1.413
   50   3HZ   LYS   6          3HZ       LYS   6  18.694  -0.142  -0.228
   51    H    LEU   7           H        LEU   7  11.126   2.898   1.008
   52    HA   LEU   7           HA       LEU   7  10.627   3.163   3.875
   53   1HB   LEU   7          2HB       LEU   7   8.771   2.628   1.546
   54   2HB   LEU   7          1HB       LEU   7   8.242   2.684   3.214
   55    HG   LEU   7           HG       LEU   7   9.509   5.024   1.780
   56   1HD1  LEU   7          1HD2      LEU   7   6.647   5.110   2.431
   57   2HD1  LEU   7          2HD2      LEU   7   7.084   3.981   1.149
   58   3HD1  LEU   7          3HD2      LEU   7   7.508   5.687   1.003
   59   1HD2  LEU   7          1HD1      LEU   7   8.422   4.575   4.503
   60   2HD2  LEU   7          2HD1      LEU   7   8.085   6.127   3.733
   61   3HD2  LEU   7          3HD1      LEU   7   9.754   5.601   3.968
   62    H    ALA   8           H        ALA   8  10.953   0.788   1.367
   63    HA   ALA   8           HA       ALA   8  10.995  -1.367   3.325
   64   1HB   ALA   8          1HB       ALA   8   9.526  -2.337   1.074
   65   2HB   ALA   8          2HB       ALA   8   8.720  -0.904   1.710
   66   3HB   ALA   8          3HB       ALA   8   9.042  -2.277   2.768
   67    H    ASP   9           H        ASP   9  11.334  -3.541   1.779
   68    HA   ASP   9           HA       ASP   9  13.424  -2.820  -0.151
   69   1HB   ASP   9          1HB       ASP   9  14.723  -4.838   0.628
   70   2HB   ASP   9          2HB       ASP   9  14.667  -3.487   1.746
   71    H    ARG  10           H        ARG  10  11.249  -5.443   0.899
   72    HA   ARG  10           HA       ARG  10  11.041  -6.250  -1.924
   73   1HB   ARG  10          2HB       ARG  10  11.419  -8.018   0.476
   74   2HB   ARG  10          1HB       ARG  10  10.621  -8.623  -0.961
   75   1HG   ARG  10          2HG       ARG  10  12.782  -9.313  -1.293
   76   2HG   ARG  10          1HG       ARG  10  12.763  -7.787  -2.175
   77   1HD   ARG  10          2HD       ARG  10  13.790  -6.660  -0.277
   78   2HD   ARG  10          1HD       ARG  10  13.778  -8.166   0.639
   79    HE   ARG  10           HE       ARG  10  15.151  -8.599  -1.760
   80   1HH1  ARG  10          1HH1      ARG  10  15.560  -6.799   1.222
   81   2HH1  ARG  10          2HH1      ARG  10  17.288  -6.856   1.154
   82   1HH2  ARG  10          1HH2      ARG  10  17.418  -8.663  -1.832
   83   2HH2  ARG  10          2HH2      ARG  10  18.340  -7.909  -0.575
   84    H    LYS  11           H        LYS  11   9.047  -7.231  -2.530
   85    HA   LYS  11           HA       LYS  11   6.801  -6.861  -0.680
   86   1HB   LYS  11          2HB       LYS  11   5.506  -5.765  -2.486
   87   2HB   LYS  11          1HB       LYS  11   6.911  -4.825  -2.001
   88   1HG   LYS  11          2HG       LYS  11   8.095  -5.987  -3.976
   89   2HG   LYS  11          1HG       LYS  11   6.462  -6.380  -4.519
   90   1HD   LYS  11          2HD       LYS  11   5.892  -3.991  -4.460
   91   2HD   LYS  11          1HD       LYS  11   7.549  -3.627  -3.970
   92   1HE   LYS  11          2HE       LYS  11   8.382  -4.587  -6.054
   93   2HE   LYS  11          1HE       LYS  11   6.734  -4.975  -6.543
   94   1HZ   LYS  11          1HZ       LYS  11   6.202  -2.692  -6.715
   95   2HZ   LYS  11          2HZ       LYS  11   7.679  -2.892  -7.515
   96   3HZ   LYS  11          3HZ       LYS  11   7.642  -2.213  -5.966
   97    H    LEU  12           H        LEU  12   4.748  -7.857  -1.601
   98    HA   LEU  12           HA       LEU  12   5.423 -10.394  -2.915
   99   1HB   LEU  12          2HB       LEU  12   3.009  -9.615  -1.269
  100   2HB   LEU  12          1HB       LEU  12   3.129 -11.119  -2.145
  101    HG   LEU  12           HG       LEU  12   3.562 -11.585   0.145
  102   1HD1  LEU  12          1HD2      LEU  12   5.391 -12.880  -0.098
  103   2HD1  LEU  12          2HD2      LEU  12   6.382 -11.561  -0.725
  104   3HD1  LEU  12          3HD2      LEU  12   5.233 -12.382  -1.782
  105   1HD2  LEU  12          1HD1      LEU  12   4.430  -9.045   0.395
  106   2HD2  LEU  12          2HD1      LEU  12   5.957  -9.924   0.459
  107   3HD2  LEU  12          3HD1      LEU  12   4.671 -10.305   1.605
  108    H    CYS  13           H        CYS  13   4.769 -10.789  -4.912
  109    HA   CYS  13           HA       CYS  13   2.599  -9.176  -6.069
  110   1HB   CYS  13          2HB       CYS  13   5.236  -9.859  -7.389
  111   2HB   CYS  13          1HB       CYS  13   3.871  -9.107  -8.206
  112    H    ALA  14           H        ALA  14   1.888 -10.173  -8.239
  113    HA   ALA  14           HA       ALA  14   1.160 -12.905  -7.729
  114   1HB   ALA  14          1HB       ALA  14  -0.168 -12.702  -9.787
  115   2HB   ALA  14          2HB       ALA  14   0.542 -11.112 -10.067
  116   3HB   ALA  14          3HB       ALA  14  -0.475 -11.386  -8.653
  117    H    ASP  15           H        ASP  15   3.446 -11.245  -9.777
  118    HA   ASP  15           HA       ASP  15   4.716 -13.754 -10.428
  119   1HB   ASP  15          1HB       ASP  15   4.793 -13.158 -12.911
  120   2HB   ASP  15          2HB       ASP  15   3.267 -13.777 -12.290
  121    H    GLN  16           H        GLN  16   6.654 -13.206 -12.032
  122    HA   GLN  16           HA       GLN  16   8.446 -11.612 -10.580
  123   1HB   GLN  16          2HB       GLN  16   9.000 -13.558 -12.063
  124   2HB   GLN  16          1HB       GLN  16   8.744 -12.509 -13.449
  125   1HG   GLN  16          2HG       GLN  16  10.560 -11.060 -12.692
  126   2HG   GLN  16          1HG       GLN  16  10.818 -12.113 -11.302
  127   1HE2  GLN  16          1HE2      GLN  16  12.449 -13.446 -11.528
  128   2HE2  GLN  16          2HE2      GLN  16  13.015 -14.134 -13.008
  129    H    GLU  17           H        GLU  17   6.239 -10.742 -13.104
  130    HA   GLU  17           HA       GLU  17   7.640  -8.276 -13.755
  131   1HB   GLU  17          2HB       GLU  17   4.975  -9.359 -14.695
  132   2HB   GLU  17          1HB       GLU  17   5.700  -7.873 -15.276
  133   1HG   GLU  17          2HG       GLU  17   7.022 -10.565 -15.528
  134   2HG   GLU  17          1HG       GLU  17   5.967  -9.880 -16.760
  135    H    CYS  18           H        CYS  18   5.156  -9.384 -11.640
  136    HA   CYS  18           HA       CYS  18   3.728  -8.396 -10.177
  137   1HB   CYS  18          2HB       CYS  18   6.008  -7.502  -9.416
  138   2HB   CYS  18          1HB       CYS  18   5.569  -6.000 -10.222
  139    H    SER  19           H        SER  19   3.261  -8.079 -12.960
  140    HA   SER  19           HA       SER  19   2.053  -5.435 -13.235
  141   1HB   SER  19          2HB       SER  19   3.552  -6.208 -15.018
  142   2HB   SER  19          1HB       SER  19   2.517  -7.599 -15.269
  143    HG   SER  19           HG       SER  19   1.882  -4.876 -15.706
  144    H    HIS  20           H        HIS  20   1.150  -8.282 -12.001
  145    HA   HIS  20           HA       HIS  20  -1.572  -8.240 -13.110
  146   1HB   HIS  20          2HB       HIS  20   0.154 -10.359 -11.950
  147   2HB   HIS  20          1HB       HIS  20  -1.569 -10.480 -11.637
  148    HD1  HIS  20           HD1      HIS  20  -0.992 -12.751 -13.054
  149    HD2  HIS  20           HD2      HIS  20  -1.166  -9.184 -15.170
  150    HE1  HIS  20           HE1      HIS  20  -1.417 -13.412 -15.426
  151    HE2  HIS  20           HE2      HIS  20  -1.586 -11.236 -16.694
  152    HA   PRO  21           HA       PRO  21  -3.000  -6.897  -9.090
  153   1HB   PRO  21          1HB       PRO  21  -5.675  -7.231  -9.467
  154   2HB   PRO  21          2HB       PRO  21  -4.744  -5.935 -10.221
  155   1HG   PRO  21          1HG       PRO  21  -5.978  -8.262 -11.455
  156   2HG   PRO  21          2HG       PRO  21  -5.287  -6.825 -12.225
  157   1HD   PRO  21          1HD       PRO  21  -4.106  -9.471 -11.856
  158   2HD   PRO  21          2HD       PRO  21  -3.547  -8.116 -12.868
  159    H    ILE  22           H        ILE  22  -2.839  -7.964  -7.225
  160    HA   ILE  22           HA       ILE  22  -3.332 -10.754  -7.008
  161    HB   ILE  22           HB       ILE  22  -2.891  -8.798  -4.740
  162   1HG1  ILE  22          2HG1      ILE  22  -0.791 -10.505  -6.087
  163   2HG1  ILE  22          1HG1      ILE  22  -1.121  -8.850  -6.599
  164   1HG2  ILE  22          1HG2      ILE  22  -3.692 -11.397  -4.570
  165   2HG2  ILE  22          2HG2      ILE  22  -2.746 -10.563  -3.336
  166   3HG2  ILE  22          3HG2      ILE  22  -1.936 -11.576  -4.529
  167   1HD1  ILE  22          1HD1      ILE  22   0.014  -9.811  -4.001
  168   2HD1  ILE  22          2HD1      ILE  22  -0.672  -8.196  -4.178
  169   3HD1  ILE  22          3HD1      ILE  22   0.706  -8.682  -5.164
  170    H    SER  23           H        SER  23  -4.840  -8.081  -5.139
  171    HA   SER  23           HA       SER  23  -7.371  -9.567  -5.286
  172   1HB   SER  23          2HB       SER  23  -6.375 -10.083  -3.115
  173   2HB   SER  23          1HB       SER  23  -6.203  -8.364  -2.767
  174    HG   SER  23           HG       SER  23  -8.284  -8.220  -2.359
  175    H    MET  24           H        MET  24  -9.187  -8.406  -5.445
  176    HA   MET  24           HA       MET  24  -8.936  -5.558  -5.992
  177   1HB   MET  24          1HB       MET  24 -10.230  -7.284  -7.427
  178   2HB   MET  24          2HB       MET  24 -11.456  -7.205  -6.170
  179   1HG   MET  24          2HG       MET  24 -11.452  -4.687  -6.558
  180   2HG   MET  24          1HG       MET  24 -10.542  -5.043  -8.023
  181   1HE   MET  24          1HE       MET  24 -14.266  -7.208  -6.985
  182   2HE   MET  24          2HE       MET  24 -14.701  -5.509  -6.798
  183   3HE   MET  24          3HE       MET  24 -13.328  -6.172  -5.910
  184    H    ALA  25           H        ALA  25  -9.185  -4.188  -4.319
  185    HA   ALA  25           HA       ALA  25 -11.047  -4.964  -2.169
  186   1HB   ALA  25          1HB       ALA  25  -8.368  -4.512  -1.921
  187   2HB   ALA  25          2HB       ALA  25  -9.545  -4.402  -0.613
  188   3HB   ALA  25          3HB       ALA  25  -9.048  -2.947  -1.476
  189    H    VAL  26           H        VAL  26 -12.501  -3.528  -1.397
  190    HA   VAL  26           HA       VAL  26 -12.937  -1.102  -2.998
  191    HB   VAL  26           HB       VAL  26 -14.819  -2.427  -1.022
  192   1HG1  VAL  26          1HG2      VAL  26 -14.935   0.133  -1.962
  193   2HG1  VAL  26          2HG2      VAL  26 -16.327  -0.813  -1.433
  194   3HG1  VAL  26          3HG2      VAL  26 -15.918  -0.730  -3.145
  195   1HG2  VAL  26          1HG1      VAL  26 -14.100  -3.188  -3.683
  196   2HG2  VAL  26          2HG1      VAL  26 -15.782  -2.657  -3.662
  197   3HG2  VAL  26          3HG1      VAL  26 -15.251  -3.946  -2.583
  198    H    ALA  27           H        ALA  27 -12.852   0.924  -2.143
  199    HA   ALA  27           HA       ALA  27 -11.493   1.326   0.332
  200   1HB   ALA  27          1HB       ALA  27 -11.114   3.393  -0.427
  201   2HB   ALA  27          2HB       ALA  27 -12.807   3.660  -0.846
  202   3HB   ALA  27          3HB       ALA  27 -11.755   2.771  -1.949
  203    H    LEU  28           H        LEU  28 -12.211   1.882   2.284
  204    HA   LEU  28           HA       LEU  28 -15.098   1.901   2.731
  205   1HB   LEU  28          2HB       LEU  28 -12.764   1.546   4.603
  206   2HB   LEU  28          1HB       LEU  28 -14.431   1.626   5.140
  207    HG   LEU  28           HG       LEU  28 -13.381  -0.471   3.237
  208   1HD1  LEU  28          1HD2      LEU  28 -12.226  -0.946   5.190
  209   2HD1  LEU  28          2HD2      LEU  28 -13.684  -1.926   5.345
  210   3HD1  LEU  28          3HD2      LEU  28 -13.548  -0.403   6.223
  211   1HD2  LEU  28          1HD1      LEU  28 -15.683  -1.207   4.783
  212   2HD2  LEU  28          2HD1      LEU  28 -15.485  -1.147   3.031
  213   3HD2  LEU  28          3HD1      LEU  28 -15.996   0.294   3.910
  214    H    GLN  29           H        GLN  29 -12.381   4.063   2.803
  215    HA   GLN  29           HA       GLN  29 -14.152   6.225   3.613
  216   1HB   GLN  29          2HB       GLN  29 -12.545   7.074   5.314
  217   2HB   GLN  29          1HB       GLN  29 -13.309   5.556   5.758
  218   1HG   GLN  29          2HG       GLN  29 -11.314   4.333   5.168
  219   2HG   GLN  29          1HG       GLN  29 -10.548   5.805   4.586
  220   1HE2  GLN  29          1HE2      GLN  29 -12.159   6.893   7.189
  221   2HE2  GLN  29          2HE2      GLN  29 -10.972   6.644   8.412
  222    H    ASP  30           H        ASP  30 -12.692   8.352   3.776
  223    HA   ASP  30           HA       ASP  30 -11.521   8.654   1.140
  224   1HB   ASP  30          1HB       ASP  30 -12.085  10.687   3.310
  225   2HB   ASP  30          2HB       ASP  30 -11.521  11.069   1.685
  226    H    TYR  31           H        TYR  31  -9.477   9.536   0.730
  227    HA   TYR  31           HA       TYR  31  -7.555   9.841   2.877
  228   1HB   TYR  31          2HB       TYR  31  -7.632   7.350   2.157
  229   2HB   TYR  31          1HB       TYR  31  -6.889   7.904   0.664
  230    HD1  TYR  31           HD1      TYR  31  -4.577   8.022   0.516
  231    HD2  TYR  31           HD2      TYR  31  -6.390   8.056   4.368
  232    HE1  TYR  31           HE1      TYR  31  -2.353   7.920   1.559
  233    HE2  TYR  31           HE2      TYR  31  -4.171   7.953   5.419
  234    HH   TYR  31           HH       TYR  31  -1.847   7.117   4.731
  235    H    MET  32           H        MET  32  -5.965  11.277   2.354
  236    HA   MET  32           HA       MET  32  -5.889  12.237  -0.433
  237   1HB   MET  32          2HB       MET  32  -5.442  13.736   2.150
  238   2HB   MET  32          1HB       MET  32  -4.957  14.371   0.587
  239   1HG   MET  32          1HG       MET  32  -7.010  15.361   1.054
  240   2HG   MET  32          2HG       MET  32  -7.337  14.109  -0.131
  241   1HE   MET  32          1HE       MET  32  -9.469  15.270   0.781
  242   2HE   MET  32          2HE       MET  32 -10.244  14.906   2.322
  243   3HE   MET  32          3HE       MET  32 -10.431  13.802   0.960
  244    H    ALA  33           H        ALA  33  -3.938  12.401  -1.466
  245    HA   ALA  33           HA       ALA  33  -1.701  11.054  -0.155
  246   1HB   ALA  33          1HB       ALA  33  -0.777  11.219  -2.579
  247   2HB   ALA  33          2HB       ALA  33  -2.455  11.576  -2.984
  248   3HB   ALA  33          3HB       ALA  33  -2.044  10.060  -2.185
  249    HA   PRO  34           HA       PRO  34   0.225  15.158   0.069
  250   1HB   PRO  34          1HB       PRO  34   1.856  14.544   2.180
  251   2HB   PRO  34          2HB       PRO  34   0.220  15.161   2.320
  252   1HG   PRO  34          2HG       PRO  34   1.233  12.547   2.970
  253   2HG   PRO  34          1HG       PRO  34  -0.361  13.236   3.258
  254   1HD   PRO  34          1HD       PRO  34   0.478  11.382   1.207
  255   2HD   PRO  34          2HD       PRO  34  -1.154  11.848   1.699
  256    H    ASP  35           H        ASP  35   2.044  12.121   0.410
  257    HA   ASP  35           HA       ASP  35   4.445  13.283  -0.744
  258   1HB   ASP  35          2HB       ASP  35   4.396  11.752   1.279
  259   2HB   ASP  35          1HB       ASP  35   3.983  10.451   0.176
  260    H    CYS  36           H        CYS  36   5.621  12.068  -2.442
  261    HA   CYS  36           HA       CYS  36   4.129  11.787  -4.796
  262   1HB   CYS  36          1HB       CYS  36   6.488  12.373  -4.829
  263   2HB   CYS  36          2HB       CYS  36   6.916  10.809  -4.145
  264    H    ARG  37           H        ARG  37   5.554   9.281  -2.703
  265    HA   ARG  37           HA       ARG  37   4.634   7.122  -4.326
  266   1HB   ARG  37          2HB       ARG  37   5.811   7.253  -1.565
  267   2HB   ARG  37          1HB       ARG  37   5.279   5.739  -2.283
  268   1HG   ARG  37          2HG       ARG  37   6.833   6.174  -4.182
  269   2HG   ARG  37          1HG       ARG  37   7.445   7.569  -3.288
  270   1HD   ARG  37          2HD       ARG  37   8.868   5.611  -2.955
  271   2HD   ARG  37          1HD       ARG  37   8.106   6.112  -1.446
  272    HE   ARG  37           HE       ARG  37   6.539   4.145  -2.730
  273   1HH1  ARG  37          1HH1      ARG  37   9.489   4.479  -0.881
  274   2HH1  ARG  37          2HH1      ARG  37   9.448   2.847  -0.305
  275   1HH2  ARG  37          1HH2      ARG  37   6.495   2.011  -1.962
  276   2HH2  ARG  37          2HH2      ARG  37   7.756   1.451  -0.916
  277    H    PHE  38           H        PHE  38   2.785   9.135  -2.491
  278    HA   PHE  38           HA       PHE  38   1.038   6.977  -1.531
  279   1HB   PHE  38          2HB       PHE  38   1.309   9.873  -0.797
  280   2HB   PHE  38          1HB       PHE  38  -0.187   9.017  -0.451
  281    HD1  PHE  38           HD1      PHE  38   3.490   8.254  -0.059
  282    HD2  PHE  38           HD2      PHE  38  -0.381   8.367   1.722
  283    HE1  PHE  38           HE1      PHE  38   4.433   7.399   2.041
  284    HE2  PHE  38           HE2      PHE  38   0.566   7.511   3.824
  285    HZ   PHE  38           HZ       PHE  38   2.973   7.028   3.986
  286    H    LEU  39           H        LEU  39  -1.167   6.888  -2.058
  287    HA   LEU  39           HA       LEU  39  -1.899   8.351  -4.524
  288   1HB   LEU  39          2HB       LEU  39  -1.712   5.618  -4.128
  289   2HB   LEU  39          1HB       LEU  39  -3.425   5.922  -3.935
  290    HG   LEU  39           HG       LEU  39  -1.791   6.642  -6.380
  291   1HD1  LEU  39          1HD1      LEU  39  -2.264   4.174  -5.840
  292   2HD1  LEU  39          2HD1      LEU  39  -2.677   4.775  -7.446
  293   3HD1  LEU  39          3HD1      LEU  39  -3.940   4.560  -6.233
  294   1HD2  LEU  39          1HD2      LEU  39  -3.482   8.127  -6.626
  295   2HD2  LEU  39          2HD2      LEU  39  -4.573   7.231  -5.569
  296   3HD2  LEU  39          3HD2      LEU  39  -4.323   6.701  -7.232
  297    H    THR  40           H        THR  40  -3.926   9.290  -4.684
  298    HA   THR  40           HA       THR  40  -5.348   9.718  -2.175
  299    HB   THR  40           HB       THR  40  -5.800  10.957  -4.909
  300    HG1  THR  40           HG1      THR  40  -4.668  12.699  -4.084
  301   1HG2  THR  40          1HG2      THR  40  -7.614  11.009  -2.927
  302   2HG2  THR  40          2HG2      THR  40  -7.373  12.328  -4.073
  303   3HG2  THR  40          3HG2      THR  40  -6.623  12.398  -2.478
  304    H    ILE  41           H        ILE  41  -7.124   8.650  -1.637
  305    HA   ILE  41           HA       ILE  41  -8.684   7.297  -3.746
  306    HB   ILE  41           HB       ILE  41  -7.773   6.179  -1.084
  307   1HG1  ILE  41          1HG1      ILE  41  -7.595   4.953  -3.840
  308   2HG1  ILE  41          2HG1      ILE  41  -6.345   6.027  -3.207
  309   1HG2  ILE  41          1HG2      ILE  41 -10.022   5.497  -1.139
  310   2HG2  ILE  41          2HG2      ILE  41  -9.127   4.128  -1.800
  311   3HG2  ILE  41          3HG2      ILE  41  -9.990   5.221  -2.881
  312   1HD1  ILE  41          1HD1      ILE  41  -6.968   3.230  -2.526
  313   2HD1  ILE  41          2HD1      ILE  41  -6.486   4.272  -1.187
  314   3HD1  ILE  41          3HD1      ILE  41  -5.420   4.074  -2.577
  315    H    HIS  42           H        HIS  42 -10.875   7.377  -3.579
  316    HA   HIS  42           HA       HIS  42 -11.993   8.963  -1.371
  317   1HB   HIS  42          2HB       HIS  42 -13.070   8.426  -4.152
  318   2HB   HIS  42          1HB       HIS  42 -13.947   9.302  -2.902
  319    HD1  HIS  42           HD1      HIS  42 -12.285  11.408  -1.904
  320    HD2  HIS  42           HD2      HIS  42 -11.877  10.147  -5.841
  321    HE1  HIS  42           HE1      HIS  42 -11.166  13.312  -3.106
  322    HE2  HIS  42           HE2      HIS  42 -10.865  12.498  -5.472
  323    H    ARG  43           H        ARG  43 -14.062   8.310  -0.509
  324    HA   ARG  43           HA       ARG  43 -14.141   5.601   0.231
  325   1HB   ARG  43          2HB       ARG  43 -15.027   7.494   1.579
  326   2HB   ARG  43          1HB       ARG  43 -16.354   7.651   0.440
  327   1HG   ARG  43          1HG       ARG  43 -17.113   5.398   1.019
  328   2HG   ARG  43          2HG       ARG  43 -15.780   5.250   2.167
  329   1HD   ARG  43          2HD       ARG  43 -17.830   5.842   3.325
  330   2HD   ARG  43          1HD       ARG  43 -16.663   7.156   3.430
  331    HE   ARG  43           HE       ARG  43 -18.143   8.492   2.326
  332   1HH1  ARG  43          1HH1      ARG  43 -19.113   5.168   1.737
  333   2HH1  ARG  43          2HH1      ARG  43 -20.537   5.621   0.863
  334   1HH2  ARG  43          1HH2      ARG  43 -20.016   9.058   1.181
  335   2HH2  ARG  43          2HH2      ARG  43 -21.047   7.819   0.549
  336    H    GLY  44           H        GLY  44 -14.723   3.911  -0.966
  337   1HA   GLY  44          1HA       GLY  44 -16.467   2.659  -2.014
  338   2HA   GLY  44          2HA       GLY  44 -17.114   4.156  -2.658
  339    H    GLN  45           H        GLN  45 -13.788   4.228  -3.137
  340    HA   GLN  45           HA       GLN  45 -14.149   3.726  -5.951
  341   1HB   GLN  45          1HB       GLN  45 -11.669   4.454  -4.377
  342   2HB   GLN  45          2HB       GLN  45 -11.709   4.253  -6.124
  343   1HG   GLN  45          2HG       GLN  45 -13.590   6.017  -6.054
  344   2HG   GLN  45          1HG       GLN  45 -12.957   6.381  -4.448
  345   1HE2  GLN  45          1HE2      GLN  45 -12.888   7.425  -7.465
  346   2HE2  GLN  45          2HE2      GLN  45 -11.292   8.077  -7.557
  347    H    VAL  46           H        VAL  46 -13.377   2.096  -7.189
  348    HA   VAL  46           HA       VAL  46 -12.744  -0.398  -5.843
  349    HB   VAL  46           HB       VAL  46 -12.745   0.004  -8.834
  350   1HG1  VAL  46          1HG1      VAL  46 -11.936  -2.122  -8.208
  351   2HG1  VAL  46          2HG1      VAL  46 -13.597  -2.369  -8.746
  352   3HG1  VAL  46          3HG1      VAL  46 -13.222  -2.346  -7.023
  353   1HG2  VAL  46          1HG2      VAL  46 -14.933   0.343  -8.959
  354   2HG2  VAL  46          2HG2      VAL  46 -14.947   0.581  -7.210
  355   3HG2  VAL  46          3HG2      VAL  46 -15.261  -1.018  -7.884
  356    H    VAL  47           H        VAL  47 -10.674  -0.380  -5.066
  357    HA   VAL  47           HA       VAL  47  -8.538   0.507  -6.881
  358    HB   VAL  47           HB       VAL  47  -8.262  -0.025  -3.921
  359   1HG1  VAL  47          1HG1      VAL  47  -6.298   1.512  -4.203
  360   2HG1  VAL  47          2HG1      VAL  47  -6.547   1.399  -5.945
  361   3HG1  VAL  47          3HG1      VAL  47  -6.149  -0.045  -5.016
  362   1HG2  VAL  47          1HG2      VAL  47  -8.375   2.447  -3.653
  363   2HG2  VAL  47          2HG2      VAL  47  -9.903   1.718  -4.149
  364   3HG2  VAL  47          3HG2      VAL  47  -8.904   2.563  -5.332
  365    H    TYR  48           H        TYR  48  -7.259  -0.907  -7.815
  366    HA   TYR  48           HA       TYR  48  -7.386  -3.713  -7.050
  367   1HB   TYR  48          2HB       TYR  48  -6.281  -2.268  -9.455
  368   2HB   TYR  48          1HB       TYR  48  -5.899  -3.951  -9.151
  369    HD1  TYR  48           HD1      TYR  48  -9.238  -2.285  -8.678
  370    HD2  TYR  48           HD2      TYR  48  -6.888  -5.004 -10.964
  371    HE1  TYR  48           HE1      TYR  48 -11.241  -2.966  -9.926
  372    HE2  TYR  48           HE2      TYR  48  -8.891  -5.694 -12.206
  373    HH   TYR  48           HH       TYR  48 -11.272  -5.697 -12.012
  374    H    VAL  49           H        VAL  49  -5.851  -4.663  -5.844
  375    HA   VAL  49           HA       VAL  49  -3.450  -3.168  -5.147
  376    HB   VAL  49           HB       VAL  49  -4.331  -5.887  -4.143
  377   1HG1  VAL  49          1HG1      VAL  49  -2.829  -5.403  -2.250
  378   2HG1  VAL  49          2HG1      VAL  49  -2.311  -3.925  -3.060
  379   3HG1  VAL  49          3HG1      VAL  49  -1.968  -5.494  -3.786
  380   1HG2  VAL  49          1HG2      VAL  49  -4.601  -3.707  -2.261
  381   2HG2  VAL  49          2HG2      VAL  49  -5.782  -4.920  -2.756
  382   3HG2  VAL  49          3HG2      VAL  49  -5.584  -3.445  -3.702
  383    H    PHE  50           H        PHE  50  -1.424  -3.626  -5.839
  384    HA   PHE  50           HA       PHE  50  -1.103  -5.917  -7.648
  385   1HB   PHE  50          1HB       PHE  50   0.067  -3.156  -7.732
  386   2HB   PHE  50          2HB       PHE  50   0.876  -4.492  -8.542
  387    HD1  PHE  50           HD1      PHE  50  -2.462  -2.816  -8.346
  388    HD2  PHE  50           HD2      PHE  50   0.313  -5.017 -10.708
  389    HE1  PHE  50           HE1      PHE  50  -3.913  -2.534 -10.312
  390    HE2  PHE  50           HE2      PHE  50  -1.136  -4.737 -12.675
  391    HZ   PHE  50           HZ       PHE  50  -3.251  -3.494 -12.479
  392    H    SER  51           H        SER  51   0.247  -4.281  -4.846
  393    HA   SER  51           HA       SER  51   1.935  -6.596  -4.370
  394   1HB   SER  51          2HB       SER  51   3.968  -5.214  -3.986
  395   2HB   SER  51          1HB       SER  51   3.467  -5.276  -5.674
  396    HG   SER  51           HG       SER  51   3.095  -3.167  -3.819
  397    H    LYS  52           H        LYS  52   2.928  -6.677  -2.282
  398    HA   LYS  52           HA       LYS  52   1.736  -4.862  -0.270
  399   1HB   LYS  52          2HB       LYS  52   2.280  -7.678   0.533
  400   2HB   LYS  52          1HB       LYS  52   1.051  -6.573   1.107
  401   1HG   LYS  52          2HG       LYS  52  -0.136  -6.902  -1.079
  402   2HG   LYS  52          1HG       LYS  52   1.006  -8.199  -1.415
  403   1HD   LYS  52          1HD       LYS  52   0.330  -9.226   0.774
  404   2HD   LYS  52          2HD       LYS  52  -1.000  -8.064   0.801
  405   1HE   LYS  52          2HE       LYS  52  -1.761 -10.143  -0.136
  406   2HE   LYS  52          1HE       LYS  52  -1.747  -8.909  -1.390
  407   1HZ   LYS  52          1HZ       LYS  52   0.312 -11.013  -0.979
  408   2HZ   LYS  52          2HZ       LYS  52   0.367  -9.814  -2.170
  409   3HZ   LYS  52          3HZ       LYS  52  -0.852 -10.987  -2.208
  410    H    LEU  53           H        LEU  53   3.397  -3.738   0.604
  411    HA   LEU  53           HA       LEU  53   6.104  -4.567   0.391
  412   1HB   LEU  53          1HB       LEU  53   4.996  -2.432   2.207
  413   2HB   LEU  53          2HB       LEU  53   6.653  -2.583   1.648
  414    HG   LEU  53           HG       LEU  53   4.300  -2.030  -0.167
  415   1HD1  LEU  53          1HD2      LEU  53   4.674   0.222   0.000
  416   2HD1  LEU  53          2HD2      LEU  53   6.342   0.018   0.535
  417   3HD1  LEU  53          3HD2      LEU  53   5.013  -0.288   1.655
  418   1HD2  LEU  53          1HD1      LEU  53   6.598  -1.104  -1.366
  419   2HD2  LEU  53          2HD1      LEU  53   5.760  -2.609  -1.756
  420   3HD2  LEU  53          3HD1      LEU  53   7.115  -2.619  -0.624
  421    H    LYS  54           H        LYS  54   7.628  -5.047   2.004
  422    HA   LYS  54           HA       LYS  54   6.502  -6.333   4.412
  423   1HB   LYS  54          1HB       LYS  54   9.004  -7.019   2.852
  424   2HB   LYS  54          2HB       LYS  54   8.540  -7.771   4.369
  425   1HG   LYS  54          2HG       LYS  54   6.564  -8.693   3.342
  426   2HG   LYS  54          1HG       LYS  54   6.928  -7.855   1.832
  427   1HD   LYS  54          1HD       LYS  54   7.681 -10.057   1.512
  428   2HD   LYS  54          2HD       LYS  54   9.132  -9.118   1.836
  429   1HE   LYS  54          2HE       LYS  54   9.212 -11.216   3.047
  430   2HE   LYS  54          1HE       LYS  54   9.087  -9.866   4.173
  431   1HZ   LYS  54          1HZ       LYS  54   6.648 -11.253   3.286
  432   2HZ   LYS  54          2HZ       LYS  54   6.936 -10.409   4.723
  433   3HZ   LYS  54          3HZ       LYS  54   7.608 -11.944   4.497
  434    H    GLY  55           H        GLY  55   8.547  -6.673   6.035
  435   1HA   GLY  55          1HA       GLY  55  10.191  -5.702   7.351
  436   2HA   GLY  55          2HA       GLY  55  10.286  -4.377   6.204
  437    H    ARG  56           H        ARG  56  10.056  -2.584   7.358
  438    HA   ARG  56           HA       ARG  56   8.394  -2.399   9.675
  439   1HB   ARG  56          2HB       ARG  56   8.977   0.012   9.626
  440   2HB   ARG  56          1HB       ARG  56  10.386  -1.035   9.542
  441   1HG   ARG  56          2HG       ARG  56  10.524  -0.660   7.129
  442   2HG   ARG  56          1HG       ARG  56   9.112   0.395   7.215
  443   1HD   ARG  56          2HD       ARG  56  11.730   0.852   8.643
  444   2HD   ARG  56          1HD       ARG  56  11.223   1.658   7.162
  445    HE   ARG  56           HE       ARG  56  10.456   2.322   9.822
  446   1HH1  ARG  56          1HH1      ARG  56   9.292   2.376   6.509
  447   2HH1  ARG  56          2HH1      ARG  56   8.153   3.643   6.812
  448   1HH2  ARG  56          1HH2      ARG  56   8.958   3.983  10.192
  449   2HH2  ARG  56          2HH2      ARG  56   7.964   4.552   8.893
  450    H    GLY  57           H        GLY  57   7.879  -2.012   6.311
  451   1HA   GLY  57          1HA       GLY  57   5.339  -0.592   6.760
  452   2HA   GLY  57          2HA       GLY  57   6.189  -0.689   5.224
  453    H    ARG  58           H        ARG  58   5.304  -3.199   7.573
  454    HA   ARG  58           HA       ARG  58   4.489  -5.045   5.577
  455   1HB   ARG  58          2HB       ARG  58   5.362  -5.653   7.838
  456   2HB   ARG  58          1HB       ARG  58   3.860  -5.088   8.539
  457   1HG   ARG  58          1HG       ARG  58   3.721  -7.436   8.415
  458   2HG   ARG  58          2HG       ARG  58   2.700  -6.802   7.133
  459   1HD   ARG  58          2HD       ARG  58   4.468  -7.218   5.497
  460   2HD   ARG  58          1HD       ARG  58   5.503  -7.844   6.778
  461    HE   ARG  58           HE       ARG  58   3.437  -9.244   5.406
  462   1HH1  ARG  58          1HH1      ARG  58   5.065  -9.056   8.513
  463   2HH1  ARG  58          2HH1      ARG  58   4.648 -10.676   8.956
  464   1HH2  ARG  58          1HH2      ARG  58   2.905 -11.363   6.008
  465   2HH2  ARG  58          2HH2      ARG  58   3.428 -11.981   7.540
  466    H    LEU  59           H        LEU  59   2.854  -2.571   7.371
  467    HA   LEU  59           HA       LEU  59   0.205  -3.540   6.662
  468   1HB   LEU  59          1HB       LEU  59   1.073  -1.065   8.165
  469   2HB   LEU  59          2HB       LEU  59  -0.593  -1.529   7.890
  470    HG   LEU  59           HG       LEU  59   0.145  -3.745   9.122
  471   1HD1  LEU  59          1HD2      LEU  59   2.531  -2.369   9.252
  472   2HD1  LEU  59          2HD2      LEU  59   2.067  -3.739  10.261
  473   3HD1  LEU  59          3HD2      LEU  59   1.815  -2.092  10.840
  474   1HD2  LEU  59          1HD1      LEU  59  -0.161  -2.146  11.317
  475   2HD2  LEU  59          2HD1      LEU  59  -1.477  -2.777  10.328
  476   3HD2  LEU  59          3HD1      LEU  59  -0.855  -1.153  10.036
  477    H    PHE  60           H        PHE  60   2.603  -1.816   5.162
  478    HA   PHE  60           HA       PHE  60   0.809  -0.012   3.733
  479   1HB   PHE  60          2HB       PHE  60   3.812  -0.268   3.828
  480   2HB   PHE  60          1HB       PHE  60   3.004   0.729   2.626
  481    HD1  PHE  60           HD1      PHE  60   2.621   2.942   3.089
  482    HD2  PHE  60           HD2      PHE  60   3.146   0.238   6.337
  483    HE1  PHE  60           HE1      PHE  60   2.576   4.828   4.666
  484    HE2  PHE  60           HE2      PHE  60   3.097   2.121   7.917
  485    HZ   PHE  60           HZ       PHE  60   2.812   4.420   7.083
  486    H    TRP  61           H        TRP  61  -0.077  -0.544   1.900
  487    HA   TRP  61           HA       TRP  61   1.073  -2.732   0.303
  488   1HB   TRP  61          2HB       TRP  61  -1.757  -1.811   0.753
  489   2HB   TRP  61          1HB       TRP  61  -1.342  -2.729  -0.686
  490    HD1  TRP  61           HD1      TRP  61   0.609  -3.996   2.254
  491    HE1  TRP  61           HE1      TRP  61  -0.443  -6.168   3.132
  492    HE3  TRP  61           HE3      TRP  61  -3.826  -3.853  -0.296
  493    HZ2  TRP  61           HZ2      TRP  61  -2.831  -7.629   2.801
  494    HZ3  TRP  61           HZ3      TRP  61  -5.433  -5.677   0.044
  495    HH2  TRP  61           HH2      TRP  61  -4.951  -7.527   1.560
  496    H    GLY  62           H        GLY  62  -0.101  -2.387  -2.101
  497   1HA   GLY  62          2HA       GLY  62   0.077   0.357  -2.998
  498   2HA   GLY  62          1HA       GLY  62   1.451  -0.664  -3.511
  499    H    GLY  63           H        GLY  63  -0.379   0.619  -5.252
  500   1HA   GLY  63          2HA       GLY  63  -0.887  -1.293  -7.151
  501   2HA   GLY  63          1HA       GLY  63  -2.354  -1.236  -6.184
  502    H    SER  64           H        SER  64  -3.421  -0.534  -8.149
  503    HA   SER  64           HA       SER  64  -3.118   2.363  -8.564
  504   1HB   SER  64          1HB       SER  64  -3.555   2.086 -10.954
  505   2HB   SER  64          2HB       SER  64  -2.132   1.154 -10.485
  506    HG   SER  64           HG       SER  64  -3.653   0.016 -11.845
  507    H    VAL  65           H        VAL  65  -5.002   3.523  -8.869
  508    HA   VAL  65           HA       VAL  65  -7.417   2.171  -7.986
  509    HB   VAL  65           HB       VAL  65  -6.830   4.250  -6.865
  510   1HG1  VAL  65          1HG1      VAL  65  -5.662   5.576  -8.359
  511   2HG1  VAL  65          2HG1      VAL  65  -7.204   6.419  -8.220
  512   3HG1  VAL  65          3HG1      VAL  65  -6.878   5.404  -9.624
  513   1HG2  VAL  65          1HG2      VAL  65  -9.272   3.549  -7.428
  514   2HG2  VAL  65          2HG2      VAL  65  -9.250   4.987  -8.448
  515   3HG2  VAL  65          3HG2      VAL  65  -8.950   5.130  -6.716
  516    H    GLN  66           H        GLN  66  -9.157   1.747  -9.170
  517    HA   GLN  66           HA       GLN  66  -9.086   2.436 -12.027
  518   1HB   GLN  66          1HB       GLN  66  -9.096   0.046 -11.482
  519   2HB   GLN  66          2HB       GLN  66 -10.583   0.244 -10.571
  520   1HG   GLN  66          2HG       GLN  66 -11.827   0.705 -12.537
  521   2HG   GLN  66          1HG       GLN  66 -10.361   0.820 -13.513
  522   1HE2  GLN  66          1HE2      GLN  66 -12.901  -1.104 -12.744
  523   2HE2  GLN  66          2HE2      GLN  66 -12.242  -2.645 -13.166
  524    H    GLY  67           H        GLY  67 -10.690   3.185  -9.136
  525   1HA   GLY  67          2HA       GLY  67 -13.335   3.618  -9.854
  526   2HA   GLY  67          1HA       GLY  67 -12.470   4.541  -8.639
  527    H    ASP  68           H        ASP  68 -10.570   5.805 -10.284
  528    HA   ASP  68           HA       ASP  68 -12.247   7.428 -12.086
  529   1HB   ASP  68          2HB       ASP  68 -10.297   8.387  -9.996
  530   2HB   ASP  68          1HB       ASP  68 -10.788   9.400 -11.346
  531    H    TYR  69           H        TYR  69 -11.420   7.880 -14.027
  532    HA   TYR  69           HA       TYR  69  -8.568   7.770 -14.533
  533   1HB   TYR  69          2HB       TYR  69  -9.386   5.399 -14.790
  534   2HB   TYR  69          1HB       TYR  69 -10.430   5.954 -16.090
  535    HD1  TYR  69           HD1      TYR  69  -9.662   5.526 -18.215
  536    HD2  TYR  69           HD2      TYR  69  -6.803   6.266 -15.149
  537    HE1  TYR  69           HE1      TYR  69  -7.843   5.168 -19.829
  538    HE2  TYR  69           HE2      TYR  69  -4.978   5.914 -16.757
  539    HH   TYR  69           HH       TYR  69  -5.172   4.380 -19.451
  540    H    TYR  70           H        TYR  70  -8.402   9.760 -15.366
  541    HA   TYR  70           HA       TYR  70 -10.316  10.590 -17.440
  542   1HB   TYR  70          2HB       TYR  70  -8.533  12.272 -15.669
  543   2HB   TYR  70          1HB       TYR  70  -9.554  12.913 -16.948
  544    HD1  TYR  70           HD1      TYR  70  -9.645  11.139 -13.679
  545    HD2  TYR  70           HD2      TYR  70 -11.831  13.382 -16.563
  546    HE1  TYR  70           HE1      TYR  70 -11.514  11.342 -12.097
  547    HE2  TYR  70           HE2      TYR  70 -13.704  13.589 -14.984
  548    HH   TYR  70           HH       TYR  70 -14.439  11.937 -12.770
  549    H    GLY  71           H        GLY  71  -7.199   9.471 -17.028
  550   1HA   GLY  71          1HA       GLY  71  -6.214   9.122 -19.384
  551   2HA   GLY  71          2HA       GLY  71  -6.176  10.878 -19.403
  552    H    ASP  72           H        ASP  72  -4.453   8.118 -18.741
  553    HA   ASP  72           HA       ASP  72  -2.459   7.615 -17.794
  554   1HB   ASP  72          1HB       ASP  72  -1.715   9.417 -19.335
  555   2HB   ASP  72          2HB       ASP  72  -1.928  10.589 -18.038
  556    H    LEU  73           H        LEU  73  -3.528   7.014 -15.845
  557    HA   LEU  73           HA       LEU  73  -2.692   8.651 -13.563
  558   1HB   LEU  73          2HB       LEU  73  -5.210   8.893 -14.268
  559   2HB   LEU  73          1HB       LEU  73  -5.387   7.315 -13.537
  560    HG   LEU  73           HG       LEU  73  -6.062   9.210 -12.071
  561   1HD1  LEU  73          1HD2      LEU  73  -5.121   8.360 -10.059
  562   2HD1  LEU  73          2HD2      LEU  73  -3.736   7.691 -10.922
  563   3HD1  LEU  73          3HD2      LEU  73  -5.344   7.007 -11.169
  564   1HD2  LEU  73          1HD1      LEU  73  -3.981  10.581 -12.938
  565   2HD2  LEU  73          2HD1      LEU  73  -3.228   9.873 -11.509
  566   3HD2  LEU  73          3HD1      LEU  73  -4.682  10.857 -11.343
  567    H    ALA  74           H        ALA  74  -4.164   5.565 -14.564
  568    HA   ALA  74           HA       ALA  74  -2.838   4.187 -12.356
  569   1HB   ALA  74          1HB       ALA  74  -5.005   3.399 -14.279
  570   2HB   ALA  74          2HB       ALA  74  -5.082   3.538 -12.523
  571   3HB   ALA  74          3HB       ALA  74  -4.188   2.211 -13.265
  572    H    ALA  75           H        ALA  75  -0.841   4.941 -13.752
  573    HA   ALA  75           HA       ALA  75   0.037   2.572 -15.239
  574   1HB   ALA  75          1HB       ALA  75   1.273   4.266 -16.776
  575   2HB   ALA  75          2HB       ALA  75   0.020   5.386 -16.242
  576   3HB   ALA  75          3HB       ALA  75  -0.426   3.896 -17.073
  577    H    ARG  76           H        ARG  76   0.712   5.244 -13.159
  578    HA   ARG  76           HA       ARG  76   3.527   4.443 -12.986
  579   1HB   ARG  76          1HB       ARG  76   3.766   6.672 -11.713
  580   2HB   ARG  76          2HB       ARG  76   3.556   6.722 -13.453
  581   1HG   ARG  76          2HG       ARG  76   2.173   8.415 -12.725
  582   2HG   ARG  76          1HG       ARG  76   1.053   7.071 -12.921
  583   1HD   ARG  76          2HD       ARG  76   1.174   6.628 -10.514
  584   2HD   ARG  76          1HD       ARG  76   2.296   7.975 -10.325
  585    HE   ARG  76           HE       ARG  76  -0.026   8.922 -11.566
  586   1HH1  ARG  76          1HH1      ARG  76   0.976   7.673  -8.445
  587   2HH1  ARG  76          2HH1      ARG  76  -0.233   8.557  -7.576
  588   1HH2  ARG  76          1HH2      ARG  76  -1.603  10.073 -10.408
  589   2HH2  ARG  76          2HH2      ARG  76  -1.692   9.914  -8.685
  590    H    LEU  77           H        LEU  77   0.790   3.657 -11.580
  591    HA   LEU  77           HA       LEU  77   0.122   2.714  -9.640
  592   1HB   LEU  77          2HB       LEU  77   3.096   2.355  -9.381
  593   2HB   LEU  77          1HB       LEU  77   1.972   1.716  -8.198
  594    HG   LEU  77           HG       LEU  77   1.792   1.007 -11.125
  595   1HD1  LEU  77          1HD1      LEU  77   3.831   0.259  -9.276
  596   2HD1  LEU  77          2HD1      LEU  77   3.604  -0.255 -10.948
  597   3HD1  LEU  77          3HD1      LEU  77   2.831  -1.149  -9.637
  598   1HD2  LEU  77          1HD2      LEU  77   0.033   0.604  -9.070
  599   2HD2  LEU  77          2HD2      LEU  77   0.961  -0.896  -9.065
  600   3HD2  LEU  77          3HD2      LEU  77   0.131  -0.377 -10.534
  601    H    GLY  78           H        GLY  78   0.568   2.666  -7.132
  602   1HA   GLY  78          1HA       GLY  78   1.612   4.982  -5.878
  603   2HA   GLY  78          2HA       GLY  78  -0.121   5.156  -6.107
  604    H    TYR  79           H        TYR  79   1.940   4.505  -3.817
  605    HA   TYR  79           HA       TYR  79   0.790   2.082  -2.743
  606   1HB   TYR  79          2HB       TYR  79   2.841   3.946  -1.527
  607   2HB   TYR  79          1HB       TYR  79   2.408   2.351  -0.913
  608    HD1  TYR  79           HD1      TYR  79   4.207   4.184  -3.533
  609    HD2  TYR  79           HD2      TYR  79   3.157   0.329  -2.070
  610    HE1  TYR  79           HE1      TYR  79   5.896   3.174  -5.003
  611    HE2  TYR  79           HE2      TYR  79   4.844  -0.691  -3.539
  612    HH   TYR  79           HH       TYR  79   7.257   1.063  -5.067
  613    H    PHE  80           H        PHE  80  -0.353   1.882  -0.834
  614    HA   PHE  80           HA       PHE  80  -1.370   4.245   0.523
  615   1HB   PHE  80          2HB       PHE  80  -3.758   3.499   0.143
  616   2HB   PHE  80          1HB       PHE  80  -2.947   4.114  -1.295
  617    HD1  PHE  80           HD1      PHE  80  -4.140   1.040   0.396
  618    HD2  PHE  80           HD2      PHE  80  -2.618   2.740  -3.200
  619    HE1  PHE  80           HE1      PHE  80  -4.701  -1.025  -0.815
  620    HE2  PHE  80           HE2      PHE  80  -3.181   0.677  -4.414
  621    HZ   PHE  80           HZ       PHE  80  -4.224  -1.208  -3.223
  622    HA   PRO  81           HA       PRO  81  -1.415   1.341   3.928
  623   1HB   PRO  81          2HB       PRO  81  -3.621   2.690   5.260
  624   2HB   PRO  81          1HB       PRO  81  -1.909   2.683   5.688
  625   1HG   PRO  81          2HG       PRO  81  -3.191   4.891   4.766
  626   2HG   PRO  81          1HG       PRO  81  -1.467   4.587   4.489
  627   1HD   PRO  81          2HD       PRO  81  -3.787   4.159   2.639
  628   2HD   PRO  81          1HD       PRO  81  -2.184   4.844   2.295
  629    H    SER  82           H        SER  82  -2.326  -0.609   4.268
  630    HA   SER  82           HA       SER  82  -4.604  -1.456   2.833
  631   1HB   SER  82          2HB       SER  82  -4.318  -3.586   4.025
  632   2HB   SER  82          1HB       SER  82  -2.769  -2.968   3.458
  633    HG   SER  82           HG       SER  82  -3.644  -3.411   6.008
  634    H    SER  83           H        SER  83  -4.314   0.094   5.858
  635    HA   SER  83           HA       SER  83  -6.555  -0.942   7.216
  636   1HB   SER  83          2HB       SER  83  -4.765   0.289   8.348
  637   2HB   SER  83          1HB       SER  83  -5.227   1.761   7.492
  638    HG   SER  83           HG       SER  83  -6.082   1.262   9.753
  639    H    ILE  84           H        ILE  84  -6.380   1.291   4.555
  640    HA   ILE  84           HA       ILE  84  -9.056   2.312   5.163
  641    HB   ILE  84           HB       ILE  84  -8.787   3.900   3.369
  642   1HG1  ILE  84          1HG1      ILE  84  -5.966   2.921   2.967
  643   2HG1  ILE  84          2HG1      ILE  84  -7.304   2.327   1.982
  644   1HG2  ILE  84          1HG2      ILE  84  -7.752   5.262   4.777
  645   2HG2  ILE  84          2HG2      ILE  84  -6.220   4.413   4.579
  646   3HG2  ILE  84          3HG2      ILE  84  -7.393   3.849   5.769
  647   1HD1  ILE  84          1HD1      ILE  84  -7.559   5.078   1.918
  648   2HD1  ILE  84          2HD1      ILE  84  -6.930   4.038   0.639
  649   3HD1  ILE  84          3HD1      ILE  84  -5.824   4.787   1.791
  650    H    VAL  85           H        VAL  85  -7.873  -0.345   3.580
  651    HA   VAL  85           HA       VAL  85 -10.137  -0.292   1.687
  652    HB   VAL  85           HB       VAL  85  -8.939  -1.834   0.223
  653   1HG1  VAL  85          1HG1      VAL  85  -6.926   0.302   0.629
  654   2HG1  VAL  85          2HG1      VAL  85  -8.592   0.792   0.320
  655   3HG1  VAL  85          3HG1      VAL  85  -7.741  -0.227  -0.842
  656   1HG2  VAL  85          1HG2      VAL  85  -6.367  -1.982   0.732
  657   2HG2  VAL  85          2HG2      VAL  85  -7.497  -3.136   1.444
  658   3HG2  VAL  85          3HG2      VAL  85  -6.902  -1.776   2.399
  659    H    ARG  86           H        ARG  86 -11.020  -2.401   1.097
  660    HA   ARG  86           HA       ARG  86 -10.919  -4.364   3.281
  661   1HB   ARG  86          2HB       ARG  86 -12.931  -2.861   3.446
  662   2HB   ARG  86          1HB       ARG  86 -13.449  -3.474   1.882
  663   1HG   ARG  86          1HG       ARG  86 -13.590  -5.732   2.805
  664   2HG   ARG  86          2HG       ARG  86 -13.076  -5.118   4.378
  665   1HD   ARG  86          2HD       ARG  86 -15.058  -3.683   4.465
  666   2HD   ARG  86          1HD       ARG  86 -15.571  -4.296   2.893
  667    HE   ARG  86           HE       ARG  86 -15.938  -5.550   5.423
  668   1HH1  ARG  86          1HH1      ARG  86 -15.469  -6.266   2.016
  669   2HH1  ARG  86          2HH1      ARG  86 -16.200  -7.831   2.130
  670   1HH2  ARG  86          1HH2      ARG  86 -16.892  -7.602   5.544
  671   2HH2  ARG  86          2HH2      ARG  86 -17.005  -8.586   4.123
  672    H    GLU  87           H        GLU  87 -10.036  -6.093   2.366
  673    HA   GLU  87           HA       GLU  87 -10.262  -6.685  -0.426
  674   1HB   GLU  87          1HB       GLU  87  -9.197  -8.462   1.779
  675   2HB   GLU  87          2HB       GLU  87  -8.905  -8.644   0.056
  676   1HG   GLU  87          1HG       GLU  87  -6.955  -7.692   0.768
  677   2HG   GLU  87          2HG       GLU  87  -7.871  -6.281   0.241
  678    H    ASP  88           H        ASP  88 -11.784  -7.830  -1.426
  679    HA   ASP  88           HA       ASP  88 -13.525  -9.534   0.222
  680   1HB   ASP  88          2HB       ASP  88 -15.348  -8.982  -1.426
  681   2HB   ASP  88          1HB       ASP  88 -14.821  -7.645  -0.410
  682    H    GLN  89           H        GLN  89 -11.871  -9.203  -2.893
  683    HA   GLN  89           HA       GLN  89 -12.127 -12.109  -3.213
  684   1HB   GLN  89          2HB       GLN  89 -14.028 -11.057  -4.441
  685   2HB   GLN  89          1HB       GLN  89 -12.862 -10.202  -5.441
  686   1HG   GLN  89          1HG       GLN  89 -12.152 -12.918  -5.539
  687   2HG   GLN  89          2HG       GLN  89 -13.902 -12.847  -5.729
  688   1HE2  GLN  89          1HE2      GLN  89 -11.063 -12.818  -7.346
  689   2HE2  GLN  89          2HE2      GLN  89 -11.545 -12.031  -8.801
  690    H    THR  90           H        THR  90 -10.419 -13.088  -4.166
  691    HA   THR  90           HA       THR  90  -8.117 -11.419  -4.878
  692    HB   THR  90           HB       THR  90  -8.281 -14.420  -4.486
  693    HG1  THR  90           HG1      THR  90  -7.825 -14.095  -2.441
  694   1HG2  THR  90          1HG2      THR  90  -5.721 -13.115  -4.018
  695   2HG2  THR  90          2HG2      THR  90  -6.248 -13.075  -5.700
  696   3HG2  THR  90          3HG2      THR  90  -6.096 -14.618  -4.861
  697    H    LEU  91           H        LEU  91  -7.692 -11.024  -6.955
  698    HA   LEU  91           HA       LEU  91  -9.189 -12.351  -9.046
  699   1HB   LEU  91          1HB       LEU  91  -7.021 -10.286  -9.391
  700   2HB   LEU  91          2HB       LEU  91  -8.319 -10.673 -10.503
  701    HG   LEU  91           HG       LEU  91  -8.822  -9.447  -7.795
  702   1HD1  LEU  91          1HD2      LEU  91  -8.876  -7.291  -8.813
  703   2HD1  LEU  91          2HD2      LEU  91  -8.584  -7.979 -10.410
  704   3HD1  LEU  91          3HD2      LEU  91  -7.318  -8.030  -9.182
  705   1HD2  LEU  91          1HD1      LEU  91 -10.825  -8.604  -9.340
  706   2HD2  LEU  91          2HD1      LEU  91 -10.882 -10.118  -8.435
  707   3HD2  LEU  91          3HD1      LEU  91 -10.470 -10.132 -10.151
  708    H    LYS  92           H        LYS  92  -5.938 -12.319  -7.815
  709    HA   LYS  92           HA       LYS  92  -5.262 -14.701  -9.255
  710   1HB   LYS  92          2HB       LYS  92  -4.860 -12.813 -10.919
  711   2HB   LYS  92          1HB       LYS  92  -3.559 -12.275  -9.869
  712   1HG   LYS  92          2HG       LYS  92  -2.167 -13.904 -10.543
  713   2HG   LYS  92          1HG       LYS  92  -3.439 -15.124 -10.564
  714   1HD   LYS  92          1HD       LYS  92  -3.089 -13.017 -12.704
  715   2HD   LYS  92          2HD       LYS  92  -2.417 -14.643 -12.801
  716   1HE   LYS  92          2HE       LYS  92  -4.673 -15.588 -12.653
  717   2HE   LYS  92          1HE       LYS  92  -5.347 -13.961 -12.563
  718   1HZ   LYS  92          1HZ       LYS  92  -4.578 -13.501 -14.760
  719   2HZ   LYS  92          2HZ       LYS  92  -5.429 -14.962 -14.808
  720   3HZ   LYS  92          3HZ       LYS  92  -3.737 -14.967 -14.846
  721    HA   PRO  93           HA       PRO  93  -3.176 -15.243  -5.313
  722   1HB   PRO  93          2HB       PRO  93  -1.361 -17.096  -6.633
  723   2HB   PRO  93          1HB       PRO  93  -2.531 -17.394  -5.356
  724   1HG   PRO  93          1HG       PRO  93  -2.766 -18.120  -8.048
  725   2HG   PRO  93          2HG       PRO  93  -4.031 -18.187  -6.811
  726   1HD   PRO  93          1HD       PRO  93  -3.843 -16.441  -9.071
  727   2HD   PRO  93          2HD       PRO  93  -5.120 -16.538  -7.852
  728    H    GLY  94           H        GLY  94  -1.396 -14.491  -4.297
  729   1HA   GLY  94          1HA       GLY  94   0.812 -13.463  -5.973
  730   2HA   GLY  94          2HA       GLY  94   0.176 -12.574  -4.597
  731    H    LYS  95           H        LYS  95   1.926 -15.427  -5.597
  732    HA   LYS  95           HA       LYS  95   3.018 -15.713  -2.875
  733   1HB   LYS  95          1HB       LYS  95   3.427 -18.044  -4.550
  734   2HB   LYS  95          2HB       LYS  95   2.712 -17.935  -2.950
  735   1HG   LYS  95          2HG       LYS  95   1.182 -17.237  -5.426
  736   2HG   LYS  95          1HG       LYS  95   1.277 -18.889  -4.820
  737   1HD   LYS  95          2HD       LYS  95   0.325 -16.557  -3.175
  738   2HD   LYS  95          1HD       LYS  95  -0.757 -17.564  -4.132
  739   1HE   LYS  95          2HE       LYS  95  -0.050 -19.534  -2.848
  740   2HE   LYS  95          1HE       LYS  95   1.029 -18.520  -1.890
  741   1HZ   LYS  95          1HZ       LYS  95  -1.865 -18.792  -1.763
  742   2HZ   LYS  95          2HZ       LYS  95  -1.256 -17.229  -1.543
  743   3HZ   LYS  95          3HZ       LYS  95  -0.750 -18.484  -0.528
  744    H    VAL  96           H        VAL  96   3.853 -14.220  -5.468
  745    HA   VAL  96           HA       VAL  96   6.572 -15.342  -5.658
  746    HB   VAL  96           HB       VAL  96   5.249 -13.579  -7.718
  747   1HG1  VAL  96          1HG1      VAL  96   7.442 -15.571  -8.180
  748   2HG1  VAL  96          2HG1      VAL  96   7.792 -13.940  -7.609
  749   3HG1  VAL  96          3HG1      VAL  96   6.983 -14.177  -9.159
  750   1HG2  VAL  96          1HG2      VAL  96   5.426 -16.559  -8.005
  751   2HG2  VAL  96          2HG2      VAL  96   4.400 -15.415  -8.868
  752   3HG2  VAL  96          3HG2      VAL  96   4.043 -15.822  -7.183
  753    H    ASP  97           H        ASP  97   7.742 -14.228  -4.210
  754    HA   ASP  97           HA       ASP  97   7.379 -11.437  -3.683
  755   1HB   ASP  97          2HB       ASP  97   8.146 -13.118  -1.991
  756   2HB   ASP  97          1HB       ASP  97   9.676 -13.224  -2.854
  757    H    VAL  98           H        VAL  98   8.246  -9.766  -4.675
  758    HA   VAL  98           HA       VAL  98  10.660 -10.130  -6.333
  759    HB   VAL  98           HB       VAL  98   8.394  -8.222  -6.975
  760   1HG1  VAL  98          1HG1      VAL  98  11.044  -8.776  -8.152
  761   2HG1  VAL  98          2HG1      VAL  98  10.099  -7.287  -8.127
  762   3HG1  VAL  98          3HG1      VAL  98   9.715  -8.556  -9.289
  763   1HG2  VAL  98          1HG2      VAL  98   8.542 -11.044  -7.438
  764   2HG2  VAL  98          2HG2      VAL  98   8.583 -10.185  -8.978
  765   3HG2  VAL  98          3HG2      VAL  98   7.253  -9.911  -7.851
  766    H    LYS  99           H        LYS  99  12.279  -8.709  -5.936
  767    HA   LYS  99           HA       LYS  99  12.065  -6.898  -3.730
  768   1HB   LYS  99          2HB       LYS  99  14.390  -6.517  -3.956
  769   2HB   LYS  99          1HB       LYS  99  14.145  -8.206  -4.353
  770   1HG   LYS  99          2HG       LYS  99  14.345  -6.111  -6.486
  771   2HG   LYS  99          1HG       LYS  99  15.774  -6.854  -5.777
  772   1HD   LYS  99          2HD       LYS  99  14.868  -9.080  -6.444
  773   2HD   LYS  99          1HD       LYS  99  13.553  -8.245  -7.272
  774   1HE   LYS  99          2HE       LYS  99  16.489  -7.909  -7.869
  775   2HE   LYS  99          1HE       LYS  99  15.362  -8.886  -8.807
  776   1HZ   LYS  99          1HZ       LYS  99  14.052  -6.688  -8.988
  777   2HZ   LYS  99          2HZ       LYS  99  15.413  -6.911  -9.966
  778   3HZ   LYS  99          3HZ       LYS  99  15.521  -5.954  -8.577
  779    H    THR 100           H        THR 100  12.958  -4.592  -3.959
  780    HA   THR 100           HA       THR 100  11.480  -3.285  -6.131
  781    HB   THR 100           HB       THR 100  11.688  -1.235  -4.751
  782    HG1  THR 100           HG1      THR 100  12.453  -1.579  -2.569
  783   1HG2  THR 100          1HG2      THR 100  10.625  -3.546  -3.147
  784   2HG2  THR 100          2HG2      THR 100   9.741  -2.690  -4.411
  785   3HG2  THR 100          3HG2      THR 100  10.224  -1.840  -2.942
  786    H    ASP 101           H        ASP 101  12.387  -1.487  -7.271
  787    HA   ASP 101           HA       ASP 101  15.318  -1.648  -7.543
  788   1HB   ASP 101          1HB       ASP 101  13.661  -2.219  -9.499
  789   2HB   ASP 101          2HB       ASP 101  13.533  -0.474  -9.655
  790    H    LYS 102           H        LYS 102  15.855   0.686  -8.891
  791    HA   LYS 102           HA       LYS 102  15.606   2.621  -6.777
  792   1HB   LYS 102          2HB       LYS 102  17.092   4.019  -8.088
  793   2HB   LYS 102          1HB       LYS 102  17.711   2.376  -8.032
  794   1HG   LYS 102          2HG       LYS 102  17.086   1.960 -10.274
  795   2HG   LYS 102          1HG       LYS 102  16.106   3.422 -10.347
  796   1HD   LYS 102          2HD       LYS 102  19.083   3.500  -9.908
  797   2HD   LYS 102          1HD       LYS 102  18.367   3.484 -11.519
  798   1HE   LYS 102          2HE       LYS 102  18.731   5.754 -11.066
  799   2HE   LYS 102          1HE       LYS 102  17.013   5.520 -10.748
  800   1HZ   LYS 102          1HZ       LYS 102  18.816   5.182  -8.484
  801   2HZ   LYS 102          2HZ       LYS 102  17.281   5.889  -8.552
  802   3HZ   LYS 102          3HZ       LYS 102  18.635   6.760  -9.070
  803    H    TRP 103           H        TRP 103  13.910   1.982  -9.713
  804    HA   TRP 103           HA       TRP 103  12.896   4.664 -10.036
  805   1HB   TRP 103          2HB       TRP 103  12.035   2.084 -11.364
  806   2HB   TRP 103          1HB       TRP 103  11.488   3.691 -11.820
  807    HD1  TRP 103           HD1      TRP 103  14.523   1.386 -12.056
  808    HE1  TRP 103           HE1      TRP 103  16.164   2.341 -13.791
  809    HE3  TRP 103           HE3      TRP 103  12.263   5.893 -12.922
  810    HZ2  TRP 103           HZ2      TRP 103  16.467   4.690 -15.319
  811    HZ3  TRP 103           HZ3      TRP 103  13.298   7.437 -14.535
  812    HH2  TRP 103           HH2      TRP 103  15.356   6.847 -15.709
  813    H    ASP 104           H        ASP 104  12.225   2.300  -7.845
  814    HA   ASP 104           HA       ASP 104   9.349   2.692  -7.743
  815   1HB   ASP 104          2HB       ASP 104  11.220   1.063  -6.012
  816   2HB   ASP 104          1HB       ASP 104   9.475   1.131  -5.792
  817    H    PHE 105           H        PHE 105  12.133   4.173  -6.474
  818    HA   PHE 105           HA       PHE 105  10.566   5.433  -4.314
  819   1HB   PHE 105          2HB       PHE 105  13.581   5.303  -4.484
  820   2HB   PHE 105          1HB       PHE 105  12.613   5.847  -3.120
  821    HD1  PHE 105           HD1      PHE 105  14.295   3.100  -4.619
  822    HD2  PHE 105           HD2      PHE 105  11.124   4.110  -1.969
  823    HE1  PHE 105           HE1      PHE 105  14.383   0.838  -3.654
  824    HE2  PHE 105           HE2      PHE 105  11.206   1.853  -1.002
  825    HZ   PHE 105           HZ       PHE 105  12.843   0.219  -1.836
  826    H    TYR 106           H        TYR 106  12.759   5.965  -6.996
  827    HA   TYR 106           HA       TYR 106  12.737   8.845  -6.630
  828   1HB   TYR 106          2HB       TYR 106  14.805   7.620  -7.284
  829   2HB   TYR 106          1HB       TYR 106  14.032   7.168  -8.795
  830    HD1  TYR 106           HD1      TYR 106  15.102   8.246 -10.518
  831    HD2  TYR 106           HD2      TYR 106  14.259  10.456  -6.971
  832    HE1  TYR 106           HE1      TYR 106  15.967  10.289 -11.580
  833    HE2  TYR 106           HE2      TYR 106  15.111  12.490  -8.021
  834    HH   TYR 106           HH       TYR 106  17.033  12.616 -10.506
  835    H    CYS 107           H        CYS 107  11.214  10.082  -7.423
  836    HA   CYS 107           HA       CYS 107   9.963   9.395  -9.991
  837   1HB   CYS 107          2HB       CYS 107   7.811  10.376  -9.046
  838   2HB   CYS 107          1HB       CYS 107   8.272   8.796  -8.447
  839    H    GLN 108           HN       GLN 108   9.332  11.126 -11.286
  840    HA   GLN 108           HA       GLN 108  10.115  13.811 -10.380
  841   1HB   GLN 108          2HB       GLN 108  10.901  12.499 -12.984
  842   2HB   GLN 108          1HB       GLN 108  11.006  14.231 -12.709
  843   1HG   GLN 108          2HG       GLN 108  12.540  13.775 -10.810
  844   2HG   GLN 108          1HG       GLN 108  12.511  12.069 -11.255
  845   1HE2  GLN 108          1HE2      GLN 108  14.066  11.414 -12.558
  846   2HE2  GLN 108          2HE2      GLN 108  14.996  12.411 -13.620
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1   8.001  13.569  -3.331
    2   2H    MET   1          2HT       MET   1   6.817  14.518  -4.077
    3   3H    MET   1          3HT       MET   1   7.882  15.217  -2.964
    4    HA   MET   1           HA       MET   1   8.830  13.947  -5.463
    5   1HB   MET   1          2HB       MET   1   7.142  15.739  -5.919
    6   2HB   MET   1          1HB       MET   1   8.141  16.871  -5.022
    7   1HG   MET   1          2HG       MET   1   9.943  16.565  -6.648
    8   2HG   MET   1          1HG       MET   1   8.932  15.437  -7.548
    9   1HE   MET   1          1HE       MET   1  10.229  17.231  -9.001
   10   2HE   MET   1          2HE       MET   1   9.607  18.838  -9.372
   11   3HE   MET   1          3HE       MET   1   8.864  17.415 -10.102
   12    H    GLY   2           H        GLY   2  10.685  13.269  -4.430
   13   1HA   GLY   2          2HA       GLY   2  12.995  14.531  -4.475
   14   2HA   GLY   2          1HA       GLY   2  12.341  15.207  -2.991
   15    HA   PRO   3           HA       PRO   3  14.425  11.038  -2.174
   16   1HB   PRO   3          2HB       PRO   3  16.636  12.281  -0.843
   17   2HB   PRO   3          1HB       PRO   3  16.645  11.327  -2.319
   18   1HG   PRO   3          1HG       PRO   3  17.185  14.027  -2.166
   19   2HG   PRO   3          2HG       PRO   3  16.764  13.138  -3.636
   20   1HD   PRO   3          1HD       PRO   3  15.096  14.910  -1.948
   21   2HD   PRO   3          2HD       PRO   3  15.017  14.579  -3.686
   22    H    MET   4           H        MET   4  13.885  10.018  -0.357
   23    HA   MET   4           HA       MET   4  13.889  11.381   2.212
   24   1HB   MET   4          2HB       MET   4  11.467  10.580   2.581
   25   2HB   MET   4          1HB       MET   4  11.715  12.006   1.586
   26   1HG   MET   4          1HG       MET   4  10.113  10.802   0.425
   27   2HG   MET   4          2HG       MET   4  11.612  10.401  -0.409
   28   1HE   MET   4          1HE       MET   4   8.603   8.860   1.770
   29   2HE   MET   4          2HE       MET   4   9.909   9.366   2.849
   30   3HE   MET   4          3HE       MET   4   9.551   7.651   2.640
   31    HA   PRO   5           HA       PRO   5  15.044   7.506   4.089
   32   1HB   PRO   5          1HB       PRO   5  12.991   7.037   5.929
   33   2HB   PRO   5          2HB       PRO   5  14.461   7.965   6.220
   34   1HG   PRO   5          2HG       PRO   5  11.735   8.919   5.484
   35   2HG   PRO   5          1HG       PRO   5  12.908   9.622   6.615
   36   1HD   PRO   5          1HD       PRO   5  12.564  10.682   4.218
   37   2HD   PRO   5          2HD       PRO   5  14.195  10.535   4.895
   38    H    LYS   6           H        LYS   6  14.588   5.253   4.269
   39    HA   LYS   6           HA       LYS   6  12.928   4.260   2.193
   40   1HB   LYS   6          1HB       LYS   6  14.253   2.533   4.256
   41   2HB   LYS   6          2HB       LYS   6  13.922   2.183   2.570
   42   1HG   LYS   6          2HG       LYS   6  15.929   4.248   3.413
   43   2HG   LYS   6          1HG       LYS   6  16.327   2.555   3.195
   44   1HD   LYS   6          1HD       LYS   6  16.844   3.206   1.109
   45   2HD   LYS   6          2HD       LYS   6  15.106   3.034   0.852
   46   1HE   LYS   6          1HE       LYS   6  14.781   5.389   1.276
   47   2HE   LYS   6          2HE       LYS   6  16.495   5.587   1.634
   48   1HZ   LYS   6          1HZ       LYS   6  15.457   6.076  -0.748
   49   2HZ   LYS   6          2HZ       LYS   6  15.835   4.442  -0.959
   50   3HZ   LYS   6          3HZ       LYS   6  17.049   5.542  -0.541
   51    H    LEU   7           H        LEU   7  11.274   2.694   2.392
   52    HA   LEU   7           HA       LEU   7   9.793   2.779   4.943
   53   1HB   LEU   7          2HB       LEU   7   8.699   2.449   2.140
   54   2HB   LEU   7          1HB       LEU   7   7.748   2.416   3.610
   55    HG   LEU   7           HG       LEU   7   9.297   4.831   2.674
   56   1HD1  LEU   7          1HD2      LEU   7   7.719   4.700   1.023
   57   2HD1  LEU   7          2HD2      LEU   7   6.813   5.582   2.253
   58   3HD1  LEU   7          3HD2      LEU   7   6.559   3.850   2.045
   59   1HD2  LEU   7          1HD1      LEU   7   7.162   5.593   4.277
   60   2HD2  LEU   7          2HD1      LEU   7   8.867   5.570   4.731
   61   3HD2  LEU   7          3HD1      LEU   7   7.839   4.182   5.089
   62    H    ALA   8           H        ALA   8  10.861   0.894   2.209
   63    HA   ALA   8           HA       ALA   8  10.862  -1.554   3.726
   64   1HB   ALA   8          1HB       ALA   8   8.826  -1.062   1.590
   65   2HB   ALA   8          2HB       ALA   8   8.647  -1.874   3.146
   66   3HB   ALA   8          3HB       ALA   8   9.478  -2.686   1.818
   67    H    ASP   9           H        ASP   9  11.258  -3.426   1.837
   68    HA   ASP   9           HA       ASP   9  13.300  -2.351   0.021
   69   1HB   ASP   9          1HB       ASP   9  14.738  -4.331   0.548
   70   2HB   ASP   9          2HB       ASP   9  14.545  -3.207   1.888
   71    H    ARG  10           H        ARG  10  11.248  -5.142   0.821
   72    HA   ARG  10           HA       ARG  10  11.033  -5.700  -2.062
   73   1HB   ARG  10          2HB       ARG  10  11.336  -7.724   0.155
   74   2HB   ARG  10          1HB       ARG  10  10.869  -8.130  -1.489
   75   1HG   ARG  10          2HG       ARG  10  13.008  -7.183  -2.288
   76   2HG   ARG  10          1HG       ARG  10  13.476  -6.909  -0.608
   77   1HD   ARG  10          1HD       ARG  10  13.291  -9.296  -0.162
   78   2HD   ARG  10          2HD       ARG  10  12.799  -9.581  -1.828
   79    HE   ARG  10           HE       ARG  10  14.990  -9.504  -2.445
   80   1HH1  ARG  10          1HH1      ARG  10  14.752  -8.019   0.727
   81   2HH1  ARG  10          2HH1      ARG  10  16.463  -7.808   0.881
   82   1HH2  ARG  10          1HH2      ARG  10  17.227  -9.220  -2.218
   83   2HH2  ARG  10          2HH2      ARG  10  17.862  -8.488  -0.784
   84    H    LYS  11           H        LYS  11   9.100  -6.813  -2.704
   85    HA   LYS  11           HA       LYS  11   6.825  -6.528  -0.868
   86   1HB   LYS  11          2HB       LYS  11   5.497  -5.675  -2.808
   87   2HB   LYS  11          1HB       LYS  11   6.781  -4.588  -2.293
   88   1HG   LYS  11          1HG       LYS  11   8.189  -5.688  -4.130
   89   2HG   LYS  11          2HG       LYS  11   6.655  -6.311  -4.739
   90   1HD   LYS  11          2HD       LYS  11   5.797  -4.085  -5.004
   91   2HD   LYS  11          1HD       LYS  11   7.231  -3.404  -4.231
   92   1HE   LYS  11          2HE       LYS  11   8.617  -4.274  -6.054
   93   2HE   LYS  11          1HE       LYS  11   7.176  -4.930  -6.832
   94   1HZ   LYS  11          1HZ       LYS  11   7.107  -2.095  -6.188
   95   2HZ   LYS  11          2HZ       LYS  11   6.536  -2.909  -7.556
   96   3HZ   LYS  11          3HZ       LYS  11   8.182  -2.549  -7.413
   97    H    LEU  12           H        LEU  12   4.807  -7.580  -1.968
   98    HA   LEU  12           HA       LEU  12   5.622 -10.144  -3.171
   99   1HB   LEU  12          2HB       LEU  12   3.373  -9.620  -1.219
  100   2HB   LEU  12          1HB       LEU  12   3.662 -11.151  -2.020
  101    HG   LEU  12           HG       LEU  12   5.635  -9.846  -0.141
  102   1HD1  LEU  12          1HD1      LEU  12   3.266 -10.705   0.697
  103   2HD1  LEU  12          2HD1      LEU  12   4.742 -10.955   1.629
  104   3HD1  LEU  12          3HD1      LEU  12   4.097 -12.259   0.632
  105   1HD2  LEU  12          1HD2      LEU  12   6.922 -11.323  -1.321
  106   2HD2  LEU  12          2HD2      LEU  12   5.565 -12.389  -1.685
  107   3HD2  LEU  12          3HD2      LEU  12   6.291 -12.406  -0.079
  108    H    CYS  13           H        CYS  13   4.873 -10.437  -5.147
  109    HA   CYS  13           HA       CYS  13   2.356  -9.131  -5.957
  110   1HB   CYS  13          2HB       CYS  13   4.782  -9.684  -7.681
  111   2HB   CYS  13          1HB       CYS  13   3.290  -8.919  -8.214
  112    H    ALA  14           H        ALA  14   1.672 -10.239  -8.204
  113    HA   ALA  14           HA       ALA  14   1.110 -12.995  -7.554
  114   1HB   ALA  14          1HB       ALA  14   0.237 -11.140  -9.743
  115   2HB   ALA  14          2HB       ALA  14  -0.729 -11.892  -8.474
  116   3HB   ALA  14          3HB       ALA  14  -0.122 -12.865  -9.813
  117    H    ASP  15           H        ASP  15   3.245 -11.225  -9.635
  118    HA   ASP  15           HA       ASP  15   4.648 -13.660 -10.336
  119   1HB   ASP  15          1HB       ASP  15   4.775 -12.927 -12.775
  120   2HB   ASP  15          2HB       ASP  15   3.247 -13.616 -12.242
  121    H    GLN  16           H        GLN  16   6.674 -13.020 -11.714
  122    HA   GLN  16           HA       GLN  16   8.201 -11.267 -10.133
  123   1HB   GLN  16          2HB       GLN  16  10.026 -11.703 -11.678
  124   2HB   GLN  16          1HB       GLN  16   9.183 -13.186 -11.256
  125   1HG   GLN  16          2HG       GLN  16   8.004 -13.148 -13.357
  126   2HG   GLN  16          1HG       GLN  16   8.763 -11.615 -13.775
  127   1HE2  GLN  16          1HE2      GLN  16  10.527 -11.705 -14.962
  128   2HE2  GLN  16          2HE2      GLN  16  11.544 -13.086 -15.176
  129    H    GLU  17           H        GLU  17   6.122 -10.543 -12.706
  130    HA   GLU  17           HA       GLU  17   7.573  -8.168 -13.558
  131   1HB   GLU  17          2HB       GLU  17   4.825  -9.122 -14.382
  132   2HB   GLU  17          1HB       GLU  17   5.753  -7.844 -15.148
  133   1HG   GLU  17          2HG       GLU  17   7.459  -9.507 -15.773
  134   2HG   GLU  17          1HG       GLU  17   6.445 -10.765 -15.076
  135    H    CYS  18           H        CYS  18   5.078  -9.030 -11.323
  136    HA   CYS  18           HA       CYS  18   3.705  -7.862  -9.940
  137   1HB   CYS  18          1HB       CYS  18   5.858  -5.778 -10.353
  138   2HB   CYS  18          2HB       CYS  18   4.499  -5.527  -9.265
  139    H    SER  19           H        SER  19   3.214  -7.916 -12.746
  140    HA   SER  19           HA       SER  19   1.937  -5.361 -13.336
  141   1HB   SER  19          2HB       SER  19   3.347  -6.126 -15.086
  142   2HB   SER  19          1HB       SER  19   2.647  -7.736 -15.030
  143    HG   SER  19           HG       SER  19   1.833  -5.558 -16.404
  144    H    HIS  20           H        HIS  20   1.158  -8.381 -12.082
  145    HA   HIS  20           HA       HIS  20  -1.604  -8.324 -13.051
  146   1HB   HIS  20          2HB       HIS  20   0.158 -10.394 -11.861
  147   2HB   HIS  20          1HB       HIS  20  -1.556 -10.514 -11.502
  148    HD1  HIS  20           HD1      HIS  20  -1.011 -12.829 -12.857
  149    HD2  HIS  20           HD2      HIS  20  -1.229  -9.334 -15.086
  150    HE1  HIS  20           HE1      HIS  20  -1.464 -13.570 -15.204
  151    HE2  HIS  20           HE2      HIS  20  -1.458 -11.443 -16.569
  152    HA   PRO  21           HA       PRO  21  -2.987  -6.873  -9.050
  153   1HB   PRO  21          1HB       PRO  21  -5.672  -7.162  -9.447
  154   2HB   PRO  21          2HB       PRO  21  -4.711  -5.881 -10.188
  155   1HG   PRO  21          1HG       PRO  21  -5.985  -8.165 -11.444
  156   2HG   PRO  21          2HG       PRO  21  -5.232  -6.755 -12.203
  157   1HD   PRO  21          1HD       PRO  21  -4.143  -9.437 -11.792
  158   2HD   PRO  21          2HD       PRO  21  -3.540  -8.120 -12.824
  159    H    ILE  22           H        ILE  22  -2.785  -7.998  -7.206
  160    HA   ILE  22           HA       ILE  22  -3.300 -10.757  -6.978
  161    HB   ILE  22           HB       ILE  22  -2.997  -8.778  -4.708
  162   1HG1  ILE  22          2HG1      ILE  22  -0.852 -10.506  -5.964
  163   2HG1  ILE  22          1HG1      ILE  22  -1.123  -8.826  -6.427
  164   1HG2  ILE  22          1HG2      ILE  22  -2.955 -10.513  -3.264
  165   2HG2  ILE  22          2HG2      ILE  22  -2.064 -11.549  -4.379
  166   3HG2  ILE  22          3HG2      ILE  22  -3.814 -11.380  -4.541
  167   1HD1  ILE  22          1HD1      ILE  22   0.634  -8.746  -4.902
  168   2HD1  ILE  22          2HD1      ILE  22  -0.129  -9.912  -3.820
  169   3HD1  ILE  22          3HD1      ILE  22  -0.781  -8.279  -3.958
  170    H    SER  23           H        SER  23  -4.969  -8.116  -5.202
  171    HA   SER  23           HA       SER  23  -7.457  -9.643  -5.503
  172   1HB   SER  23          2HB       SER  23  -7.993  -9.207  -3.105
  173   2HB   SER  23          1HB       SER  23  -6.609 -10.277  -3.334
  174    HG   SER  23           HG       SER  23  -5.252  -8.489  -2.944
  175    H    MET  24           H        MET  24  -9.299  -8.501  -5.652
  176    HA   MET  24           HA       MET  24  -9.058  -5.626  -6.063
  177   1HB   MET  24          2HB       MET  24 -10.209  -7.088  -7.722
  178   2HB   MET  24          1HB       MET  24 -11.430  -7.446  -6.512
  179   1HG   MET  24          2HG       MET  24 -10.906  -4.598  -7.121
  180   2HG   MET  24          1HG       MET  24 -11.723  -5.559  -8.346
  181   1HE   MET  24          1HE       MET  24 -13.656  -6.925  -8.016
  182   2HE   MET  24          2HE       MET  24 -15.059  -6.396  -7.088
  183   3HE   MET  24          3HE       MET  24 -13.893  -7.508  -6.369
  184    H    ALA  25           H        ALA  25  -9.561  -4.234  -4.504
  185    HA   ALA  25           HA       ALA  25 -11.342  -5.141  -2.335
  186   1HB   ALA  25          1HB       ALA  25  -8.643  -4.247  -2.222
  187   2HB   ALA  25          2HB       ALA  25  -9.685  -4.808  -0.914
  188   3HB   ALA  25          3HB       ALA  25  -9.667  -3.101  -1.356
  189    H    VAL  26           H        VAL  26 -12.566  -3.591  -1.235
  190    HA   VAL  26           HA       VAL  26 -13.281  -1.248  -2.895
  191    HB   VAL  26           HB       VAL  26 -14.911  -2.538  -0.687
  192   1HG1  VAL  26          1HG2      VAL  26 -15.441  -0.172  -1.064
  193   2HG1  VAL  26          2HG2      VAL  26 -16.767  -1.221  -1.563
  194   3HG1  VAL  26          3HG2      VAL  26 -15.704  -0.508  -2.775
  195   1HG2  VAL  26          1HG1      VAL  26 -14.788  -3.032  -3.624
  196   2HG2  VAL  26          2HG1      VAL  26 -16.340  -3.161  -2.798
  197   3HG2  VAL  26          3HG1      VAL  26 -14.987  -4.176  -2.297
  198    H    ALA  27           H        ALA  27 -13.071   0.813  -2.109
  199    HA   ALA  27           HA       ALA  27 -11.588   1.197   0.339
  200   1HB   ALA  27          1HB       ALA  27 -11.003   3.195  -0.504
  201   2HB   ALA  27          2HB       ALA  27 -12.648   3.580  -1.012
  202   3HB   ALA  27          3HB       ALA  27 -11.639   2.534  -2.013
  203    H    LEU  28           H        LEU  28 -12.283   1.903   2.266
  204    HA   LEU  28           HA       LEU  28 -15.162   2.163   2.661
  205   1HB   LEU  28          2HB       LEU  28 -12.873   1.827   4.591
  206   2HB   LEU  28          1HB       LEU  28 -14.508   2.148   5.118
  207    HG   LEU  28           HG       LEU  28 -14.110  -0.179   5.381
  208   1HD1  LEU  28          1HD1      LEU  28 -15.942  -1.085   4.320
  209   2HD1  LEU  28          2HD1      LEU  28 -15.661  -0.185   2.830
  210   3HD1  LEU  28          3HD1      LEU  28 -16.291   0.642   4.255
  211   1HD2  LEU  28          1HD2      LEU  28 -13.670  -0.975   2.635
  212   2HD2  LEU  28          2HD2      LEU  28 -12.805  -1.430   4.103
  213   3HD2  LEU  28          3HD2      LEU  28 -12.378   0.055   3.253
  214    H    GLN  29           H        GLN  29 -12.361   4.214   2.590
  215    HA   GLN  29           HA       GLN  29 -14.050   6.508   3.138
  216   1HB   GLN  29          2HB       GLN  29 -12.488   7.430   4.857
  217   2HB   GLN  29          1HB       GLN  29 -13.398   6.022   5.382
  218   1HG   GLN  29          2HG       GLN  29 -11.466   4.606   5.049
  219   2HG   GLN  29          1HG       GLN  29 -10.546   5.966   4.416
  220   1HE2  GLN  29          1HE2      GLN  29 -12.254   7.403   6.769
  221   2HE2  GLN  29          2HE2      GLN  29 -11.195   7.173   8.107
  222    H    ASP  30           H        ASP  30 -12.475   8.571   3.234
  223    HA   ASP  30           HA       ASP  30 -11.095   8.536   0.673
  224   1HB   ASP  30          1HB       ASP  30 -11.919  10.778   2.518
  225   2HB   ASP  30          2HB       ASP  30 -10.966  11.038   1.061
  226    H    TYR  31           H        TYR  31  -9.029   9.469   0.372
  227    HA   TYR  31           HA       TYR  31  -7.279   9.843   2.648
  228   1HB   TYR  31          2HB       TYR  31  -7.319   7.336   1.996
  229   2HB   TYR  31          1HB       TYR  31  -6.474   7.840   0.540
  230    HD1  TYR  31           HD1      TYR  31  -4.160   8.017   0.542
  231    HD2  TYR  31           HD2      TYR  31  -6.224   8.025   4.264
  232    HE1  TYR  31           HE1      TYR  31  -2.012   7.933   1.728
  233    HE2  TYR  31           HE2      TYR  31  -4.079   7.940   5.461
  234    HH   TYR  31           HH       TYR  31  -1.588   7.011   4.710
  235    H    MET  32           H        MET  32  -5.580  11.207   2.170
  236    HA   MET  32           HA       MET  32  -5.449  12.193  -0.605
  237   1HB   MET  32          2HB       MET  32  -4.775  13.625   1.972
  238   2HB   MET  32          1HB       MET  32  -4.552  14.298   0.364
  239   1HG   MET  32          1HG       MET  32  -7.191  13.475   1.558
  240   2HG   MET  32          2HG       MET  32  -6.578  15.120   1.459
  241   1HE   MET  32          1HE       MET  32  -9.451  15.222  -1.155
  242   2HE   MET  32          2HE       MET  32  -8.833  15.825   0.382
  243   3HE   MET  32          3HE       MET  32  -9.485  14.191   0.275
  244    H    ALA  33           H        ALA  33  -3.534  12.236  -1.668
  245    HA   ALA  33           HA       ALA  33  -1.359  10.701  -0.540
  246   1HB   ALA  33          1HB       ALA  33  -0.592  10.445  -2.682
  247   2HB   ALA  33          2HB       ALA  33  -1.180  12.024  -3.200
  248   3HB   ALA  33          3HB       ALA  33  -2.313  10.692  -2.971
  249    HA   PRO  34           HA       PRO  34   0.746  14.571   0.603
  250   1HB   PRO  34          2HB       PRO  34   2.593  12.975   2.146
  251   2HB   PRO  34          1HB       PRO  34   1.348  14.081   2.727
  252   1HG   PRO  34          2HG       PRO  34   1.245  11.381   3.073
  253   2HG   PRO  34          1HG       PRO  34  -0.198  12.412   2.976
  254   1HD   PRO  34          2HD       PRO  34   1.072  10.716   0.849
  255   2HD   PRO  34          1HD       PRO  34  -0.646  10.912   1.258
  256    H    ASP  35           H        ASP  35   2.821  11.668   0.285
  257    HA   ASP  35           HA       ASP  35   4.802  13.231  -1.161
  258   1HB   ASP  35          2HB       ASP  35   6.232  11.221  -0.906
  259   2HB   ASP  35          1HB       ASP  35   5.627  11.840   0.629
  260    H    CYS  36           H        CYS  36   5.972  12.049  -2.979
  261    HA   CYS  36           HA       CYS  36   4.256  11.815  -5.173
  262   1HB   CYS  36          1HB       CYS  36   6.211  11.324  -6.462
  263   2HB   CYS  36          2HB       CYS  36   6.670  12.484  -5.220
  264    H    ARG  37           H        ARG  37   5.404   9.288  -2.997
  265    HA   ARG  37           HA       ARG  37   4.727   7.204  -4.922
  266   1HB   ARG  37          2HB       ARG  37   5.502   6.757  -2.056
  267   2HB   ARG  37          1HB       ARG  37   5.659   5.652  -3.410
  268   1HG   ARG  37          1HG       ARG  37   7.472   6.879  -4.319
  269   2HG   ARG  37          2HG       ARG  37   7.198   8.211  -3.193
  270   1HD   ARG  37          2HD       ARG  37   8.191   5.454  -2.550
  271   2HD   ARG  37          1HD       ARG  37   9.045   6.986  -2.363
  272    HE   ARG  37           HE       ARG  37   7.256   5.812  -0.520
  273   1HH1  ARG  37          1HH1      ARG  37   8.310   8.946  -1.678
  274   2HH1  ARG  37          2HH1      ARG  37   7.712   9.784  -0.287
  275   1HH2  ARG  37          1HH2      ARG  37   6.457   6.929   1.278
  276   2HH2  ARG  37          2HH2      ARG  37   6.668   8.643   1.385
  277    H    PHE  38           H        PHE  38   2.763   9.008  -2.971
  278    HA   PHE  38           HA       PHE  38   1.140   6.674  -2.202
  279   1HB   PHE  38          2HB       PHE  38   1.472   9.382  -1.043
  280   2HB   PHE  38          1HB       PHE  38  -0.125   8.655  -0.920
  281    HD1  PHE  38           HD1      PHE  38  -0.396   8.057   1.278
  282    HD2  PHE  38           HD2      PHE  38   3.276   7.081  -0.640
  283    HE1  PHE  38           HE1      PHE  38   0.309   6.797   3.267
  284    HE2  PHE  38           HE2      PHE  38   3.982   5.818   1.346
  285    HZ   PHE  38           HZ       PHE  38   2.498   5.675   3.304
  286    H    LEU  39           H        LEU  39  -1.235   6.906  -2.280
  287    HA   LEU  39           HA       LEU  39  -2.075   8.235  -4.783
  288   1HB   LEU  39          2HB       LEU  39  -2.935   5.660  -3.493
  289   2HB   LEU  39          1HB       LEU  39  -3.923   6.453  -4.701
  290    HG   LEU  39           HG       LEU  39  -1.070   5.697  -5.277
  291   1HD1  LEU  39          1HD1      LEU  39  -3.545   3.999  -5.370
  292   2HD1  LEU  39          2HD1      LEU  39  -1.976   3.625  -4.654
  293   3HD1  LEU  39          3HD1      LEU  39  -2.155   3.682  -6.408
  294   1HD2  LEU  39          1HD2      LEU  39  -2.258   7.279  -6.779
  295   2HD2  LEU  39          2HD2      LEU  39  -3.478   6.034  -7.059
  296   3HD2  LEU  39          3HD2      LEU  39  -1.811   5.766  -7.570
  297    H    THR  40           H        THR  40  -4.148   9.132  -4.927
  298    HA   THR  40           HA       THR  40  -5.354   9.905  -2.353
  299    HB   THR  40           HB       THR  40  -5.682  11.213  -5.074
  300    HG1  THR  40           HG1      THR  40  -4.387  12.481  -2.964
  301   1HG2  THR  40          1HG2      THR  40  -6.899  12.908  -4.109
  302   2HG2  THR  40          2HG2      THR  40  -6.318  12.549  -2.480
  303   3HG2  THR  40          3HG2      THR  40  -7.510  11.496  -3.247
  304    H    ILE  41           H        ILE  41  -6.951   8.572  -1.843
  305    HA   ILE  41           HA       ILE  41  -8.657   7.472  -3.983
  306    HB   ILE  41           HB       ILE  41  -8.155   6.374  -1.199
  307   1HG1  ILE  41          1HG1      ILE  41  -7.135   5.317  -3.850
  308   2HG1  ILE  41          2HG1      ILE  41  -6.189   6.369  -2.804
  309   1HG2  ILE  41          1HG2      ILE  41  -9.606   5.171  -3.567
  310   2HG2  ILE  41          2HG2      ILE  41 -10.331   5.692  -2.046
  311   3HG2  ILE  41          3HG2      ILE  41  -9.224   4.320  -2.069
  312   1HD1  ILE  41          1HD1      ILE  41  -6.397   4.644  -1.014
  313   2HD1  ILE  41          2HD1      ILE  41  -5.481   4.139  -2.436
  314   3HD1  ILE  41          3HD1      ILE  41  -7.140   3.583  -2.212
  315    H    HIS  42           H        HIS  42 -10.914   7.290  -3.668
  316    HA   HIS  42           HA       HIS  42 -12.047   9.121  -1.653
  317   1HB   HIS  42          2HB       HIS  42 -12.979   8.522  -4.467
  318   2HB   HIS  42          1HB       HIS  42 -13.986   9.340  -3.284
  319    HD1  HIS  42           HD1      HIS  42 -13.612  10.954  -5.649
  320    HD2  HIS  42           HD2      HIS  42 -10.720  10.948  -2.663
  321    HE1  HIS  42           HE1      HIS  42 -12.331  13.096  -5.947
  322    HE2  HIS  42           HE2      HIS  42 -10.639  13.108  -4.081
  323    H    ARG  43           H        ARG  43 -14.068   8.513  -0.709
  324    HA   ARG  43           HA       ARG  43 -14.257   5.801   0.016
  325   1HB   ARG  43          2HB       ARG  43 -15.055   7.737   1.376
  326   2HB   ARG  43          1HB       ARG  43 -16.399   7.921   0.261
  327   1HG   ARG  43          1HG       ARG  43 -17.178   5.671   0.867
  328   2HG   ARG  43          2HG       ARG  43 -15.842   5.540   2.017
  329   1HD   ARG  43          2HD       ARG  43 -16.707   7.540   3.187
  330   2HD   ARG  43          1HD       ARG  43 -18.081   7.561   2.081
  331    HE   ARG  43           HE       ARG  43 -17.910   5.032   3.270
  332   1HH1  ARG  43          1HH1      ARG  43 -18.698   8.332   4.157
  333   2HH1  ARG  43          2HH1      ARG  43 -19.756   7.856   5.442
  334   1HH2  ARG  43          1HH2      ARG  43 -19.302   4.427   4.960
  335   2HH2  ARG  43          2HH2      ARG  43 -20.097   5.647   5.897
  336    H    GLY  44           H        GLY  44 -15.152   4.102  -0.963
  337   1HA   GLY  44          2HA       GLY  44 -16.967   2.997  -2.022
  338   2HA   GLY  44          1HA       GLY  44 -17.453   4.523  -2.734
  339    H    GLN  45           H        GLN  45 -14.312   4.665  -3.364
  340    HA   GLN  45           HA       GLN  45 -14.653   3.791  -6.070
  341   1HB   GLN  45          1HB       GLN  45 -12.265   4.874  -4.586
  342   2HB   GLN  45          2HB       GLN  45 -12.197   4.390  -6.276
  343   1HG   GLN  45          2HG       GLN  45 -14.126   6.007  -6.648
  344   2HG   GLN  45          1HG       GLN  45 -13.761   6.628  -5.039
  345   1HE2  GLN  45          1HE2      GLN  45 -13.291   7.211  -8.180
  346   2HE2  GLN  45          2HE2      GLN  45 -11.770   8.029  -8.130
  347    H    VAL  46           H        VAL  46 -13.382   2.269  -7.205
  348    HA   VAL  46           HA       VAL  46 -12.838  -0.141  -5.646
  349    HB   VAL  46           HB       VAL  46 -12.612   0.038  -8.642
  350   1HG1  VAL  46          1HG1      VAL  46 -13.615  -2.230  -6.949
  351   2HG1  VAL  46          2HG1      VAL  46 -11.907  -1.993  -7.320
  352   3HG1  VAL  46          3HG1      VAL  46 -13.063  -2.273  -8.623
  353   1HG2  VAL  46          1HG2      VAL  46 -14.752   0.552  -8.897
  354   2HG2  VAL  46          2HG2      VAL  46 -15.005   0.557  -7.149
  355   3HG2  VAL  46          3HG2      VAL  46 -15.177  -0.943  -8.060
  356    H    VAL  47           H        VAL  47 -10.810  -0.468  -4.937
  357    HA   VAL  47           HA       VAL  47  -8.577   0.591  -6.549
  358    HB   VAL  47           HB       VAL  47  -8.451  -0.063  -3.602
  359   1HG1  VAL  47          1HG1      VAL  47  -6.372   0.999  -3.579
  360   2HG1  VAL  47          2HG1      VAL  47  -6.657   1.798  -5.126
  361   3HG1  VAL  47          3HG1      VAL  47  -6.350   0.062  -5.073
  362   1HG2  VAL  47          1HG2      VAL  47  -8.327   2.669  -3.761
  363   2HG2  VAL  47          2HG2      VAL  47  -9.742   1.736  -3.275
  364   3HG2  VAL  47          3HG2      VAL  47  -9.574   2.275  -4.945
  365    H    TYR  48           H        TYR  48  -7.288  -0.839  -7.489
  366    HA   TYR  48           HA       TYR  48  -7.485  -3.652  -6.733
  367   1HB   TYR  48          2HB       TYR  48  -6.311  -2.299  -9.167
  368   2HB   TYR  48          1HB       TYR  48  -6.135  -4.015  -8.853
  369    HD1  TYR  48           HD1      TYR  48  -7.569  -5.404  -9.966
  370    HD2  TYR  48           HD2      TYR  48  -8.924  -1.489  -8.995
  371    HE1  TYR  48           HE1      TYR  48  -9.682  -5.850 -11.135
  372    HE2  TYR  48           HE2      TYR  48 -11.042  -1.931 -10.156
  373    HH   TYR  48           HH       TYR  48 -11.569  -3.992 -12.305
  374    H    VAL  49           H        VAL  49  -5.956  -4.671  -5.630
  375    HA   VAL  49           HA       VAL  49  -3.510  -3.263  -4.919
  376    HB   VAL  49           HB       VAL  49  -4.433  -5.999  -4.004
  377   1HG1  VAL  49          1HG1      VAL  49  -2.909  -5.644  -2.128
  378   2HG1  VAL  49          2HG1      VAL  49  -2.422  -4.093  -2.811
  379   3HG1  VAL  49          3HG1      VAL  49  -2.049  -5.588  -3.667
  380   1HG2  VAL  49          1HG2      VAL  49  -6.112  -4.812  -3.065
  381   2HG2  VAL  49          2HG2      VAL  49  -5.231  -3.287  -3.154
  382   3HG2  VAL  49          3HG2      VAL  49  -4.875  -4.437  -1.865
  383    H    PHE  50           H        PHE  50  -1.554  -3.682  -5.784
  384    HA   PHE  50           HA       PHE  50  -1.333  -5.974  -7.616
  385   1HB   PHE  50          1HB       PHE  50  -0.120  -3.228  -7.695
  386   2HB   PHE  50          2HB       PHE  50   0.642  -4.561  -8.552
  387    HD1  PHE  50           HD1      PHE  50  -2.728  -2.954  -8.205
  388    HD2  PHE  50           HD2      PHE  50   0.081  -4.911 -10.736
  389    HE1  PHE  50           HE1      PHE  50  -4.218  -2.601 -10.130
  390    HE2  PHE  50           HE2      PHE  50  -1.407  -4.559 -12.663
  391    HZ   PHE  50           HZ       PHE  50  -3.558  -3.404 -12.361
  392    H    SER  51           H        SER  51   0.134  -4.371  -4.873
  393    HA   SER  51           HA       SER  51   1.864  -6.688  -4.497
  394   1HB   SER  51          2HB       SER  51   3.862  -5.269  -4.092
  395   2HB   SER  51          1HB       SER  51   3.300  -5.184  -5.759
  396    HG   SER  51           HG       SER  51   2.201  -3.223  -5.143
  397    H    LYS  52           H        LYS  52   2.961  -6.693  -2.387
  398    HA   LYS  52           HA       LYS  52   1.644  -5.047  -0.328
  399   1HB   LYS  52          2HB       LYS  52   2.230  -7.955   0.184
  400   2HB   LYS  52          1HB       LYS  52   1.223  -6.873   1.108
  401   1HG   LYS  52          1HG       LYS  52  -0.493  -6.923  -0.541
  402   2HG   LYS  52          2HG       LYS  52   0.535  -7.824  -1.652
  403   1HD   LYS  52          1HD       LYS  52   0.570  -9.713  -0.099
  404   2HD   LYS  52          2HD       LYS  52  -0.459  -8.811   1.016
  405   1HE   LYS  52          2HE       LYS  52  -2.226  -8.734  -0.674
  406   2HE   LYS  52          1HE       LYS  52  -1.196  -9.637  -1.790
  407   1HZ   LYS  52          1HZ       LYS  52  -1.662 -10.833   0.826
  408   2HZ   LYS  52          2HZ       LYS  52  -1.544 -11.565  -0.694
  409   3HZ   LYS  52          3HZ       LYS  52  -2.980 -10.800  -0.235
  410    H    LEU  53           H        LEU  53   3.296  -3.868   0.477
  411    HA   LEU  53           HA       LEU  53   6.014  -4.667   0.306
  412   1HB   LEU  53          1HB       LEU  53   4.832  -2.530   2.085
  413   2HB   LEU  53          2HB       LEU  53   6.512  -2.672   1.596
  414    HG   LEU  53           HG       LEU  53   4.226  -2.128  -0.307
  415   1HD1  LEU  53          1HD2      LEU  53   4.982   0.165  -0.349
  416   2HD1  LEU  53          2HD2      LEU  53   6.255  -0.204   0.814
  417   3HD1  LEU  53          3HD2      LEU  53   4.562  -0.296   1.301
  418   1HD2  LEU  53          1HD1      LEU  53   7.027  -2.781  -0.687
  419   2HD2  LEU  53          2HD1      LEU  53   6.593  -1.239  -1.424
  420   3HD2  LEU  53          3HD1      LEU  53   5.713  -2.704  -1.862
  421    H    LYS  54           H        LYS  54   7.507  -5.135   1.988
  422    HA   LYS  54           HA       LYS  54   6.292  -6.320   4.411
  423   1HB   LYS  54          1HB       LYS  54   8.644  -7.353   2.811
  424   2HB   LYS  54          2HB       LYS  54   8.119  -8.009   4.352
  425   1HG   LYS  54          2HG       LYS  54   6.003  -8.672   3.372
  426   2HG   LYS  54          1HG       LYS  54   6.473  -7.948   1.832
  427   1HD   LYS  54          1HD       LYS  54   6.911 -10.234   1.572
  428   2HD   LYS  54          2HD       LYS  54   8.484  -9.516   1.900
  429   1HE   LYS  54          2HE       LYS  54   8.305 -10.197   4.246
  430   2HE   LYS  54          1HE       LYS  54   6.731 -10.920   3.917
  431   1HZ   LYS  54          1HZ       LYS  54   7.758 -12.771   3.329
  432   2HZ   LYS  54          2HZ       LYS  54   9.269 -12.065   3.601
  433   3HZ   LYS  54          3HZ       LYS  54   8.551 -11.958   2.074
  434    H    GLY  55           H        GLY  55   8.228  -6.799   6.050
  435   1HA   GLY  55          2HA       GLY  55  10.178  -6.003   7.124
  436   2HA   GLY  55          1HA       GLY  55  10.146  -4.587   6.083
  437    H    ARG  56           H        ARG  56  10.069  -2.898   7.413
  438    HA   ARG  56           HA       ARG  56   8.663  -2.922   9.906
  439   1HB   ARG  56          1HB       ARG  56  10.127  -0.799   8.356
  440   2HB   ARG  56          2HB       ARG  56   9.194  -0.387   9.785
  441   1HG   ARG  56          1HG       ARG  56  11.295  -0.629  10.664
  442   2HG   ARG  56          2HG       ARG  56  10.624  -2.235  10.930
  443   1HD   ARG  56          2HD       ARG  56  12.237  -1.589   8.480
  444   2HD   ARG  56          1HD       ARG  56  13.005  -2.059   9.993
  445    HE   ARG  56           HE       ARG  56  11.713  -3.771   8.125
  446   1HH1  ARG  56          1HH1      ARG  56  12.370  -3.418  11.557
  447   2HH1  ARG  56          2HH1      ARG  56  12.194  -5.109  11.879
  448   1HH2  ARG  56          1HH2      ARG  56  11.491  -5.982   8.573
  449   2HH2  ARG  56          2HH2      ARG  56  11.700  -6.559  10.192
  450    H    GLY  57           H        GLY  57   8.022  -1.702   6.674
  451   1HA   GLY  57          1HA       GLY  57   5.423  -0.651   7.580
  452   2HA   GLY  57          2HA       GLY  57   6.235  -0.197   6.089
  453    H    ARG  58           H        ARG  58   5.510  -3.361   7.523
  454    HA   ARG  58           HA       ARG  58   4.741  -4.466   5.020
  455   1HB   ARG  58          2HB       ARG  58   4.166  -6.485   6.312
  456   2HB   ARG  58          1HB       ARG  58   5.763  -5.874   6.686
  457   1HG   ARG  58          1HG       ARG  58   4.907  -4.858   8.731
  458   2HG   ARG  58          2HG       ARG  58   3.317  -5.514   8.359
  459   1HD   ARG  58          2HD       ARG  58   4.234  -7.781   8.418
  460   2HD   ARG  58          1HD       ARG  58   5.821  -7.122   8.803
  461    HE   ARG  58           HE       ARG  58   3.670  -7.580  10.614
  462   1HH1  ARG  58          1HH1      ARG  58   6.420  -5.465  10.060
  463   2HH1  ARG  58          2HH1      ARG  58   6.551  -5.016  11.725
  464   1HH2  ARG  58          1HH2      ARG  58   3.867  -6.977  12.789
  465   2HH2  ARG  58          2HH2      ARG  58   5.109  -5.870  13.268
  466    H    LEU  59           H        LEU  59   3.045  -2.490   7.110
  467    HA   LEU  59           HA       LEU  59   0.444  -3.668   6.575
  468   1HB   LEU  59          1HB       LEU  59  -0.482  -1.886   7.957
  469   2HB   LEU  59          2HB       LEU  59   0.804  -2.730   8.791
  470    HG   LEU  59           HG       LEU  59   1.457  -0.179   7.369
  471   1HD1  LEU  59          1HD1      LEU  59  -0.593   0.293   8.645
  472   2HD1  LEU  59          2HD1      LEU  59   0.815   1.119   9.314
  473   3HD1  LEU  59          3HD1      LEU  59   0.185  -0.329  10.100
  474   1HD2  LEU  59          1HD2      LEU  59   2.742  -1.972   9.189
  475   2HD2  LEU  59          2HD2      LEU  59   2.590  -0.386   9.945
  476   3HD2  LEU  59          3HD2      LEU  59   3.399  -0.545   8.386
  477    H    PHE  60           H        PHE  60   2.520  -1.903   4.796
  478    HA   PHE  60           HA       PHE  60   0.450  -0.242   3.536
  479   1HB   PHE  60          2HB       PHE  60   3.466  -0.165   3.294
  480   2HB   PHE  60          1HB       PHE  60   2.383   0.819   2.320
  481    HD1  PHE  60           HD1      PHE  60   1.388   2.786   3.191
  482    HD2  PHE  60           HD2      PHE  60   3.622   0.216   5.746
  483    HE1  PHE  60           HE1      PHE  60   1.403   4.528   4.928
  484    HE2  PHE  60           HE2      PHE  60   3.633   1.952   7.488
  485    HZ   PHE  60           HZ       PHE  60   2.523   4.111   7.081
  486    H    TRP  61           H        TRP  61  -0.479  -0.919   1.745
  487    HA   TRP  61           HA       TRP  61   0.858  -2.997   0.139
  488   1HB   TRP  61          1HB       TRP  61  -2.042  -2.436   0.682
  489   2HB   TRP  61          2HB       TRP  61  -1.560  -3.372  -0.718
  490    HD1  TRP  61           HD1      TRP  61   0.666  -4.251   2.145
  491    HE1  TRP  61           HE1      TRP  61  -0.081  -6.462   3.202
  492    HE3  TRP  61           HE3      TRP  61  -3.913  -4.748  -0.088
  493    HZ2  TRP  61           HZ2      TRP  61  -2.298  -8.190   3.132
  494    HZ3  TRP  61           HZ3      TRP  61  -5.271  -6.716   0.466
  495    HH2  TRP  61           HH2      TRP  61  -4.493  -8.399   2.038
  496    H    GLY  62           H        GLY  62   1.248  -2.666  -1.942
  497   1HA   GLY  62          2HA       GLY  62   0.735   0.001  -3.033
  498   2HA   GLY  62          1HA       GLY  62   1.855  -1.222  -3.698
  499    H    GLY  63           H        GLY  63   0.201   0.158  -5.369
  500   1HA   GLY  63          2HA       GLY  63  -0.874  -1.555  -7.102
  501   2HA   GLY  63          1HA       GLY  63  -2.167  -1.446  -5.915
  502    H    SER  64           H        SER  64  -3.315  -0.651  -7.912
  503    HA   SER  64           HA       SER  64  -2.966   2.269  -8.131
  504   1HB   SER  64          1HB       SER  64  -3.652   2.147 -10.485
  505   2HB   SER  64          2HB       SER  64  -2.204   1.181 -10.205
  506    HG   SER  64           HG       SER  64  -3.443  -0.196 -11.289
  507    H    VAL  65           H        VAL  65  -4.901   3.470  -8.622
  508    HA   VAL  65           HA       VAL  65  -7.297   2.158  -7.545
  509    HB   VAL  65           HB       VAL  65  -6.639   4.045  -6.204
  510   1HG1  VAL  65          1HG1      VAL  65  -6.707   5.674  -8.739
  511   2HG1  VAL  65          2HG1      VAL  65  -5.292   5.294  -7.757
  512   3HG1  VAL  65          3HG1      VAL  65  -6.554   6.345  -7.115
  513   1HG2  VAL  65          1HG2      VAL  65  -9.121   3.659  -6.942
  514   2HG2  VAL  65          2HG2      VAL  65  -8.912   5.221  -7.734
  515   3HG2  VAL  65          3HG2      VAL  65  -8.678   5.078  -5.991
  516    H    GLN  66           H        GLN  66  -9.030   1.838  -8.763
  517    HA   GLN  66           HA       GLN  66  -9.032   2.908 -11.490
  518   1HB   GLN  66          1HB       GLN  66  -9.198   0.437 -11.172
  519   2HB   GLN  66          2HB       GLN  66 -10.730   0.680 -10.342
  520   1HG   GLN  66          2HG       GLN  66 -11.690   1.641 -12.357
  521   2HG   GLN  66          1HG       GLN  66 -10.148   1.450 -13.196
  522   1HE2  GLN  66          1HE2      GLN  66  -9.963  -0.280 -14.407
  523   2HE2  GLN  66          2HE2      GLN  66 -10.863  -1.746 -14.245
  524    H    GLY  67           H        GLY  67 -10.733   4.019 -12.344
  525   1HA   GLY  67          1HA       GLY  67 -13.278   4.410 -11.327
  526   2HA   GLY  67          2HA       GLY  67 -12.267   5.647 -10.587
  527    H    ASP  68           H        ASP  68 -10.504   6.101 -12.662
  528    HA   ASP  68           HA       ASP  68 -12.166   7.049 -14.892
  529   1HB   ASP  68          2HB       ASP  68 -10.103   8.647 -13.350
  530   2HB   ASP  68          1HB       ASP  68 -10.745   9.143 -14.911
  531    H    TYR  69           H        TYR  69 -11.223   4.970 -15.675
  532    HA   TYR  69           HA       TYR  69  -8.440   4.746 -16.174
  533   1HB   TYR  69          2HB       TYR  69 -10.010   2.813 -15.935
  534   2HB   TYR  69          1HB       TYR  69 -10.692   3.222 -17.502
  535    HD1  TYR  69           HD1      TYR  69  -9.998   1.864 -19.220
  536    HD2  TYR  69           HD2      TYR  69  -7.246   2.712 -16.085
  537    HE1  TYR  69           HE1      TYR  69  -8.313   0.453 -20.322
  538    HE2  TYR  69           HE2      TYR  69  -5.555   1.308 -17.182
  539    HH   TYR  69           HH       TYR  69  -5.357   0.545 -20.028
  540    H    TYR  70           H        TYR  70  -7.786   6.565 -17.234
  541    HA   TYR  70           HA       TYR  70  -8.573   6.764 -20.063
  542   1HB   TYR  70          2HB       TYR  70  -7.951   8.961 -18.098
  543   2HB   TYR  70          1HB       TYR  70  -7.796   9.217 -19.830
  544    HD1  TYR  70           HD1      TYR  70  -9.646   9.843 -21.098
  545    HD2  TYR  70           HD2      TYR  70 -10.268   8.211 -17.217
  546    HE1  TYR  70           HE1      TYR  70 -12.031  10.419 -21.243
  547    HE2  TYR  70           HE2      TYR  70 -12.656   8.778 -17.355
  548    HH   TYR  70           HH       TYR  70 -14.351   9.162 -19.253
  549    H    GLY  71           H        GLY  71  -6.152   6.068 -17.879
  550   1HA   GLY  71          1HA       GLY  71  -4.019   5.262 -18.404
  551   2HA   GLY  71          2HA       GLY  71  -4.150   6.006 -19.989
  552    H    ASP  72           H        ASP  72  -4.102   7.066 -16.574
  553    HA   ASP  72           HA       ASP  72  -1.822   8.775 -17.113
  554   1HB   ASP  72          1HB       ASP  72  -3.747  10.183 -17.761
  555   2HB   ASP  72          2HB       ASP  72  -4.438   9.964 -16.158
  556    H    LEU  73           H        LEU  73  -4.309   7.801 -14.773
  557    HA   LEU  73           HA       LEU  73  -2.525   8.371 -12.553
  558   1HB   LEU  73          1HB       LEU  73  -4.343   8.058 -11.100
  559   2HB   LEU  73          2HB       LEU  73  -4.993   8.896 -12.490
  560    HG   LEU  73           HG       LEU  73  -5.290   5.918 -12.069
  561   1HD1  LEU  73          1HD1      LEU  73  -6.327   7.483 -10.300
  562   2HD1  LEU  73          2HD1      LEU  73  -7.347   6.252 -11.047
  563   3HD1  LEU  73          3HD1      LEU  73  -7.453   7.928 -11.583
  564   1HD2  LEU  73          1HD2      LEU  73  -7.368   6.623 -13.584
  565   2HD2  LEU  73          2HD2      LEU  73  -5.813   6.146 -14.263
  566   3HD2  LEU  73          3HD2      LEU  73  -6.219   7.855 -14.104
  567    H    ALA  74           H        ALA  74  -3.595   5.627 -14.389
  568    HA   ALA  74           HA       ALA  74  -2.412   3.779 -12.440
  569   1HB   ALA  74          1HB       ALA  74  -4.756   3.456 -13.508
  570   2HB   ALA  74          2HB       ALA  74  -3.676   2.068 -13.360
  571   3HB   ALA  74          3HB       ALA  74  -3.848   2.888 -14.912
  572    H    ALA  75           H        ALA  75  -0.803   5.551 -14.100
  573    HA   ALA  75           HA       ALA  75   0.480   3.739 -16.003
  574   1HB   ALA  75          1HB       ALA  75   1.339   5.572 -17.060
  575   2HB   ALA  75          2HB       ALA  75   1.462   6.511 -15.573
  576   3HB   ALA  75          3HB       ALA  75  -0.106   6.291 -16.349
  577    H    ARG  76           H        ARG  76   1.198   5.604 -13.078
  578    HA   ARG  76           HA       ARG  76   3.631   3.993 -12.747
  579   1HB   ARG  76          1HB       ARG  76   4.510   6.002 -11.410
  580   2HB   ARG  76          2HB       ARG  76   4.485   6.127 -13.160
  581   1HG   ARG  76          2HG       ARG  76   3.694   8.188 -12.517
  582   2HG   ARG  76          1HG       ARG  76   2.200   7.299 -12.803
  583   1HD   ARG  76          2HD       ARG  76   2.006   6.865 -10.399
  584   2HD   ARG  76          1HD       ARG  76   3.502   7.755 -10.118
  585    HE   ARG  76           HE       ARG  76   1.730   9.423 -11.496
  586   1HH1  ARG  76          1HH1      ARG  76   2.018   7.927  -8.336
  587   2HH1  ARG  76          2HH1      ARG  76   1.124   9.175  -7.537
  588   1HH2  ARG  76          1HH2      ARG  76   0.559  11.050 -10.428
  589   2HH2  ARG  76          2HH2      ARG  76   0.298  10.941  -8.720
  590    H    LEU  77           H        LEU  77   0.651   4.327 -11.648
  591    HA   LEU  77           HA       LEU  77  -0.511   4.079  -9.714
  592   1HB   LEU  77          1HB       LEU  77  -0.152   1.940  -8.660
  593   2HB   LEU  77          2HB       LEU  77   0.014   1.816 -10.396
  594    HG   LEU  77           HG       LEU  77   2.563   2.277  -9.130
  595   1HD1  LEU  77          1HD1      LEU  77   2.796   0.420  -7.769
  596   2HD1  LEU  77          2HD1      LEU  77   1.382  -0.384  -8.452
  597   3HD1  LEU  77          3HD1      LEU  77   1.176   0.983  -7.356
  598   1HD2  LEU  77          1HD2      LEU  77   1.378   0.772 -11.277
  599   2HD2  LEU  77          2HD2      LEU  77   2.492  -0.233 -10.346
  600   3HD2  LEU  77          3HD2      LEU  77   3.054   1.281 -11.054
  601    H    GLY  78           H        GLY  78   0.335   2.935  -7.163
  602   1HA   GLY  78          2HA       GLY  78   2.354   4.561  -5.993
  603   2HA   GLY  78          1HA       GLY  78   0.762   5.239  -5.695
  604    H    TYR  79           H        TYR  79   1.219   4.888  -3.438
  605    HA   TYR  79           HA       TYR  79   0.771   2.100  -2.592
  606   1HB   TYR  79          2HB       TYR  79   2.376   4.225  -1.140
  607   2HB   TYR  79          1HB       TYR  79   2.040   2.614  -0.521
  608    HD1  TYR  79           HD1      TYR  79   4.717   4.173  -1.144
  609    HD2  TYR  79           HD2      TYR  79   2.584   1.075  -3.140
  610    HE1  TYR  79           HE1      TYR  79   6.815   3.381  -2.148
  611    HE2  TYR  79           HE2      TYR  79   4.675   0.282  -4.158
  612    HH   TYR  79           HH       TYR  79   7.716   1.251  -3.097
  613    H    PHE  80           H        PHE  80  -0.415   1.832  -0.602
  614    HA   PHE  80           HA       PHE  80  -1.864   4.066   0.505
  615   1HB   PHE  80          2HB       PHE  80  -4.120   3.028   0.019
  616   2HB   PHE  80          1HB       PHE  80  -3.303   3.719  -1.378
  617    HD1  PHE  80           HD1      PHE  80  -4.194   0.529   0.297
  618    HD2  PHE  80           HD2      PHE  80  -2.755   2.396  -3.250
  619    HE1  PHE  80           HE1      PHE  80  -4.470  -1.587  -0.926
  620    HE2  PHE  80           HE2      PHE  80  -3.030   0.283  -4.474
  621    HZ   PHE  80           HZ       PHE  80  -3.888  -1.711  -3.314
  622    HA   PRO  81           HA       PRO  81  -1.741   1.361   4.047
  623   1HB   PRO  81          2HB       PRO  81  -4.162   2.554   5.162
  624   2HB   PRO  81          1HB       PRO  81  -2.495   2.695   5.722
  625   1HG   PRO  81          2HG       PRO  81  -3.837   4.768   4.624
  626   2HG   PRO  81          1HG       PRO  81  -2.084   4.564   4.450
  627   1HD   PRO  81          2HD       PRO  81  -4.271   3.910   2.505
  628   2HD   PRO  81          1HD       PRO  81  -2.698   4.686   2.212
  629    H    SER  82           H        SER  82  -2.420  -0.672   4.365
  630    HA   SER  82           HA       SER  82  -4.546  -1.800   2.898
  631   1HB   SER  82          2HB       SER  82  -4.031  -3.865   4.087
  632   2HB   SER  82          1HB       SER  82  -2.530  -3.037   3.685
  633    HG   SER  82           HG       SER  82  -2.410  -3.682   5.810
  634    H    SER  83           H        SER  83  -4.446  -0.275   5.983
  635    HA   SER  83           HA       SER  83  -6.681  -1.455   7.218
  636   1HB   SER  83          2HB       SER  83  -6.627   0.514   8.710
  637   2HB   SER  83          1HB       SER  83  -5.032  -0.205   8.486
  638    HG   SER  83           HG       SER  83  -4.710   1.930   8.197
  639    H    ILE  84           H        ILE  84  -6.534   0.991   4.708
  640    HA   ILE  84           HA       ILE  84  -9.297   1.774   5.272
  641    HB   ILE  84           HB       ILE  84  -9.084   3.488   3.577
  642   1HG1  ILE  84          2HG1      ILE  84  -6.171   2.817   3.271
  643   2HG1  ILE  84          1HG1      ILE  84  -7.380   2.095   2.205
  644   1HG2  ILE  84          1HG2      ILE  84  -7.385   4.868   4.704
  645   2HG2  ILE  84          2HG2      ILE  84  -6.808   3.431   5.549
  646   3HG2  ILE  84          3HG2      ILE  84  -8.443   4.026   5.837
  647   1HD1  ILE  84          1HD1      ILE  84  -7.147   3.884   0.928
  648   2HD1  ILE  84          2HD1      ILE  84  -6.214   4.731   2.164
  649   3HD1  ILE  84          3HD1      ILE  84  -7.977   4.790   2.193
  650    H    VAL  85           H        VAL  85  -7.900  -0.693   3.601
  651    HA   VAL  85           HA       VAL  85 -10.115  -0.711   1.652
  652    HB   VAL  85           HB       VAL  85  -8.682  -2.154   0.186
  653   1HG1  VAL  85          1HG1      VAL  85  -7.841   0.673   0.786
  654   2HG1  VAL  85          2HG1      VAL  85  -8.977   0.112  -0.441
  655   3HG1  VAL  85          3HG1      VAL  85  -7.257  -0.236  -0.609
  656   1HG2  VAL  85          1HG2      VAL  85  -6.180  -1.850   0.556
  657   2HG2  VAL  85          2HG2      VAL  85  -7.008  -2.994   1.614
  658   3HG2  VAL  85          3HG2      VAL  85  -6.592  -1.386   2.208
  659    H    ARG  86           H        ARG  86 -11.305  -2.525   1.386
  660    HA   ARG  86           HA       ARG  86 -10.800  -4.720   3.281
  661   1HB   ARG  86          2HB       ARG  86 -12.875  -3.402   3.690
  662   2HB   ARG  86          1HB       ARG  86 -13.449  -3.872   2.096
  663   1HG   ARG  86          1HG       ARG  86 -13.507  -6.194   2.756
  664   2HG   ARG  86          2HG       ARG  86 -12.810  -5.792   4.327
  665   1HD   ARG  86          2HD       ARG  86 -14.769  -4.426   4.842
  666   2HD   ARG  86          1HD       ARG  86 -15.469  -4.837   3.277
  667    HE   ARG  86           HE       ARG  86 -14.889  -7.212   4.637
  668   1HH1  ARG  86          1HH1      ARG  86 -17.090  -4.494   4.901
  669   2HH1  ARG  86          2HH1      ARG  86 -18.320  -5.419   5.693
  670   1HH2  ARG  86          1HH2      ARG  86 -16.514  -8.409   5.676
  671   2HH2  ARG  86          2HH2      ARG  86 -17.995  -7.634   6.132
  672    H    GLU  87           H        GLU  87  -9.977  -6.413   2.308
  673    HA   GLU  87           HA       GLU  87 -10.466  -6.916  -0.507
  674   1HB   GLU  87          1HB       GLU  87  -8.556  -8.032   1.527
  675   2HB   GLU  87          2HB       GLU  87  -8.832  -8.880   0.011
  676   1HG   GLU  87          1HG       GLU  87  -6.932  -7.563  -0.335
  677   2HG   GLU  87          2HG       GLU  87  -8.242  -6.723  -1.155
  678    H    ASP  88           H        ASP  88 -12.098  -8.086  -1.151
  679    HA   ASP  88           HA       ASP  88 -13.119 -10.203   0.618
  680   1HB   ASP  88          2HB       ASP  88 -15.315  -9.881  -0.445
  681   2HB   ASP  88          1HB       ASP  88 -14.743  -8.405   0.323
  682    H    GLN  89           H        GLN  89 -12.018  -9.412  -2.614
  683    HA   GLN  89           HA       GLN  89 -12.200 -12.290  -3.258
  684   1HB   GLN  89          2HB       GLN  89 -14.055 -10.949  -4.338
  685   2HB   GLN  89          1HB       GLN  89 -12.814 -10.139  -5.282
  686   1HG   GLN  89          1HG       GLN  89 -12.404 -12.935  -5.519
  687   2HG   GLN  89          2HG       GLN  89 -14.113 -12.604  -5.799
  688   1HE2  GLN  89          1HE2      GLN  89 -11.190 -12.873  -7.251
  689   2HE2  GLN  89          2HE2      GLN  89 -11.483 -11.949  -8.676
  690    H    THR  90           H        THR  90 -10.545 -13.174  -4.383
  691    HA   THR  90           HA       THR  90  -8.227 -11.450  -4.966
  692    HB   THR  90           HB       THR  90  -8.311 -14.434  -4.447
  693    HG1  THR  90           HG1      THR  90  -7.482 -12.293  -2.795
  694   1HG2  THR  90          1HG2      THR  90  -6.389 -13.740  -5.849
  695   2HG2  THR  90          2HG2      THR  90  -5.931 -14.404  -4.280
  696   3HG2  THR  90          3HG2      THR  90  -5.890 -12.661  -4.547
  697    H    LEU  91           H        LEU  91  -7.710 -11.147  -7.035
  698    HA   LEU  91           HA       LEU  91  -9.134 -12.562  -9.130
  699   1HB   LEU  91          1HB       LEU  91  -7.006 -10.449  -9.447
  700   2HB   LEU  91          2HB       LEU  91  -8.226 -10.916 -10.614
  701    HG   LEU  91           HG       LEU  91  -9.009  -9.693  -7.987
  702   1HD1  LEU  91          1HD2      LEU  91  -8.949  -7.504  -8.989
  703   2HD1  LEU  91          2HD2      LEU  91  -8.338  -8.180 -10.501
  704   3HD1  LEU  91          3HD2      LEU  91  -7.340  -8.227  -9.047
  705   1HD2  LEU  91          1HD1      LEU  91 -10.595  -8.886 -10.190
  706   2HD2  LEU  91          2HD1      LEU  91 -11.051  -9.888  -8.813
  707   3HD2  LEU  91          3HD1      LEU  91 -10.398 -10.637 -10.271
  708    H    LYS  92           H        LYS  92  -5.912 -12.343  -7.832
  709    HA   LYS  92           HA       LYS  92  -5.086 -14.731  -9.243
  710   1HB   LYS  92          2HB       LYS  92  -4.588 -12.794 -10.792
  711   2HB   LYS  92          1HB       LYS  92  -3.465 -12.201  -9.584
  712   1HG   LYS  92          2HG       LYS  92  -1.879 -13.446 -10.497
  713   2HG   LYS  92          1HG       LYS  92  -2.775 -14.887 -10.023
  714   1HD   LYS  92          1HD       LYS  92  -3.263 -13.383 -12.589
  715   2HD   LYS  92          2HD       LYS  92  -2.171 -14.757 -12.462
  716   1HE   LYS  92          2HE       LYS  92  -5.125 -14.808 -11.840
  717   2HE   LYS  92          1HE       LYS  92  -4.380 -15.406 -13.322
  718   1HZ   LYS  92          1HZ       LYS  92  -4.278 -17.344 -12.255
  719   2HZ   LYS  92          2HZ       LYS  92  -4.570 -16.648 -10.740
  720   3HZ   LYS  92          3HZ       LYS  92  -3.000 -16.681 -11.366
  721    HA   PRO  93           HA       PRO  93  -3.197 -15.288  -5.198
  722   1HB   PRO  93          2HB       PRO  93  -1.441 -17.170  -6.691
  723   2HB   PRO  93          1HB       PRO  93  -2.384 -17.446  -5.233
  724   1HG   PRO  93          1HG       PRO  93  -3.244 -18.446  -7.495
  725   2HG   PRO  93          2HG       PRO  93  -4.402 -17.605  -6.439
  726   1HD   PRO  93          2HD       PRO  93  -2.954 -16.561  -8.853
  727   2HD   PRO  93          1HD       PRO  93  -4.685 -16.466  -8.480
  728    H    GLY  94           H        GLY  94  -1.721 -14.092  -4.215
  729   1HA   GLY  94          1HA       GLY  94   0.640 -13.174  -5.720
  730   2HA   GLY  94          2HA       GLY  94  -0.028 -12.394  -4.289
  731    H    LYS  95           H        LYS  95   1.908 -15.009  -5.495
  732    HA   LYS  95           HA       LYS  95   2.951 -15.458  -2.792
  733   1HB   LYS  95          1HB       LYS  95   3.268 -17.890  -3.557
  734   2HB   LYS  95          2HB       LYS  95   1.655 -17.360  -3.100
  735   1HG   LYS  95          2HG       LYS  95   1.102 -17.036  -5.462
  736   2HG   LYS  95          1HG       LYS  95   2.710 -17.615  -5.906
  737   1HD   LYS  95          2HD       LYS  95   2.197 -19.764  -4.794
  738   2HD   LYS  95          1HD       LYS  95   0.569 -19.171  -4.457
  739   1HE   LYS  95          2HE       LYS  95   0.552 -20.591  -6.423
  740   2HE   LYS  95          1HE       LYS  95   0.172 -18.927  -6.867
  741   1HZ   LYS  95          1HZ       LYS  95   2.963 -19.810  -7.023
  742   2HZ   LYS  95          2HZ       LYS  95   2.139 -18.674  -7.966
  743   3HZ   LYS  95          3HZ       LYS  95   1.891 -20.327  -8.227
  744    H    VAL  96           H        VAL  96   3.984 -13.795  -4.985
  745    HA   VAL  96           HA       VAL  96   6.596 -15.124  -5.372
  746    HB   VAL  96           HB       VAL  96   5.328 -13.098  -7.240
  747   1HG1  VAL  96          1HG1      VAL  96   7.897 -14.663  -7.417
  748   2HG1  VAL  96          2HG1      VAL  96   7.705 -12.911  -7.359
  749   3HG1  VAL  96          3HG1      VAL  96   7.172 -13.811  -8.779
  750   1HG2  VAL  96          1HG2      VAL  96   5.852 -15.828  -8.203
  751   2HG2  VAL  96          2HG2      VAL  96   4.495 -14.750  -8.527
  752   3HG2  VAL  96          3HG2      VAL  96   4.545 -15.678  -7.028
  753    H    ASP  97           H        ASP  97   8.446 -13.884  -4.978
  754    HA   ASP  97           HA       ASP  97   7.963 -11.311  -3.618
  755   1HB   ASP  97          2HB       ASP  97   8.862 -13.076  -2.164
  756   2HB   ASP  97          1HB       ASP  97  10.233 -13.281  -3.247
  757    H    VAL  98           H        VAL  98   8.590  -9.557  -4.665
  758    HA   VAL  98           HA       VAL  98  10.962  -9.680  -6.422
  759    HB   VAL  98           HB       VAL  98   8.563  -7.922  -6.998
  760   1HG1  VAL  98          1HG1      VAL  98  10.685  -8.800  -8.932
  761   2HG1  VAL  98          2HG1      VAL  98  10.904  -7.389  -7.894
  762   3HG1  VAL  98          3HG1      VAL  98   9.572  -7.437  -9.050
  763   1HG2  VAL  98          1HG2      VAL  98   9.004 -10.759  -7.654
  764   2HG2  VAL  98          2HG2      VAL  98   8.478  -9.733  -8.988
  765   3HG2  VAL  98          3HG2      VAL  98   7.504  -9.839  -7.521
  766    H    LYS  99           H        LYS  99  12.435  -8.063  -6.134
  767    HA   LYS  99           HA       LYS  99  12.071  -6.295  -3.879
  768   1HB   LYS  99          1HB       LYS  99  14.416  -5.623  -4.315
  769   2HB   LYS  99          2HB       LYS  99  14.224  -7.363  -4.171
  770   1HG   LYS  99          2HG       LYS  99  14.352  -7.624  -6.555
  771   2HG   LYS  99          1HG       LYS  99  14.443  -5.876  -6.771
  772   1HD   LYS  99          2HD       LYS  99  16.553  -5.839  -5.524
  773   2HD   LYS  99          1HD       LYS  99  16.457  -7.588  -5.313
  774   1HE   LYS  99          2HE       LYS  99  16.632  -6.148  -7.959
  775   2HE   LYS  99          1HE       LYS  99  17.972  -6.950  -7.142
  776   1HZ   LYS  99          1HZ       LYS  99  16.307  -8.962  -7.220
  777   2HZ   LYS  99          2HZ       LYS  99  17.304  -8.600  -8.537
  778   3HZ   LYS  99          3HZ       LYS  99  15.684  -8.115  -8.546
  779    H    THR 100           H        THR 100  12.571  -3.960  -3.997
  780    HA   THR 100           HA       THR 100  11.249  -2.765  -6.320
  781    HB   THR 100           HB       THR 100  11.108  -0.723  -4.936
  782    HG1  THR 100           HG1      THR 100  12.767  -2.231  -3.274
  783   1HG2  THR 100          1HG2      THR 100   9.993  -2.027  -2.838
  784   2HG2  THR 100          2HG2      THR 100   9.954  -3.273  -4.087
  785   3HG2  THR 100          3HG2      THR 100   9.189  -1.710  -4.376
  786    H    ASP 101           H        ASP 101  12.096  -0.710  -7.186
  787    HA   ASP 101           HA       ASP 101  15.004  -0.866  -7.514
  788   1HB   ASP 101          2HB       ASP 101  12.890   0.544  -9.151
  789   2HB   ASP 101          1HB       ASP 101  14.614   0.607  -9.495
  790    H    LYS 102           H        LYS 102  15.882   1.518  -8.138
  791    HA   LYS 102           HA       LYS 102  15.607   3.026  -5.689
  792   1HB   LYS 102          2HB       LYS 102  17.438   4.401  -6.533
  793   2HB   LYS 102          1HB       LYS 102  17.831   2.694  -6.670
  794   1HG   LYS 102          2HG       LYS 102  17.463   2.715  -9.024
  795   2HG   LYS 102          1HG       LYS 102  16.779   4.337  -8.960
  796   1HD   LYS 102          2HD       LYS 102  19.610   3.775  -8.122
  797   2HD   LYS 102          1HD       LYS 102  19.182   4.096  -9.801
  798   1HE   LYS 102          2HE       LYS 102  19.858   6.176  -8.934
  799   2HE   LYS 102          1HE       LYS 102  18.098   6.244  -8.953
  800   1HZ   LYS 102          1HZ       LYS 102  19.375   5.303  -6.501
  801   2HZ   LYS 102          2HZ       LYS 102  17.983   6.241  -6.704
  802   3HZ   LYS 102          3HZ       LYS 102  19.509   6.952  -6.857
  803    H    TRP 103           H        TRP 103  14.319   3.163  -8.873
  804    HA   TRP 103           HA       TRP 103  13.694   5.977  -8.838
  805   1HB   TRP 103          2HB       TRP 103  12.666   3.800 -10.675
  806   2HB   TRP 103          1HB       TRP 103  12.474   5.530 -10.922
  807    HD1  TRP 103           HD1      TRP 103  15.096   2.753 -11.125
  808    HE1  TRP 103           HE1      TRP 103  17.111   3.608 -12.477
  809    HE3  TRP 103           HE3      TRP 103  13.735   7.662 -11.600
  810    HZ2  TRP 103           HZ2      TRP 103  18.007   6.037 -13.592
  811    HZ3  TRP 103           HZ3      TRP 103  15.231   9.185 -12.824
  812    HH2  TRP 103           HH2      TRP 103  17.323   8.387 -13.800
  813    H    ASP 104           H        ASP 104  12.384   3.256  -7.389
  814    HA   ASP 104           HA       ASP 104   9.609   4.023  -7.457
  815   1HB   ASP 104          2HB       ASP 104  11.121   1.946  -5.861
  816   2HB   ASP 104          1HB       ASP 104   9.382   2.169  -5.754
  817    H    PHE 105           H        PHE 105  12.331   4.955  -5.669
  818    HA   PHE 105           HA       PHE 105  10.673   6.063  -3.493
  819   1HB   PHE 105          2HB       PHE 105  13.445   4.940  -3.560
  820   2HB   PHE 105          1HB       PHE 105  13.075   6.196  -2.394
  821    HD1  PHE 105           HD1      PHE 105  13.960   4.271  -0.944
  822    HD2  PHE 105           HD2      PHE 105  10.162   4.182  -2.873
  823    HE1  PHE 105           HE1      PHE 105  13.180   2.602   0.667
  824    HE2  PHE 105           HE2      PHE 105   9.384   2.504  -1.252
  825    HZ   PHE 105           HZ       PHE 105  10.903   1.722   0.529
  826    H    TYR 106           H        TYR 106  13.272   6.703  -5.772
  827    HA   TYR 106           HA       TYR 106  13.535   9.469  -4.927
  828   1HB   TYR 106          2HB       TYR 106  15.531   8.142  -5.468
  829   2HB   TYR 106          1HB       TYR 106  14.936   7.890  -7.100
  830    HD1  TYR 106           HD1      TYR 106  16.303   8.956  -8.588
  831    HD2  TYR 106           HD2      TYR 106  15.315  10.985  -4.970
  832    HE1  TYR 106           HE1      TYR 106  17.553  10.928  -9.354
  833    HE2  TYR 106           HE2      TYR 106  16.554  12.962  -5.742
  834    HH   TYR 106           HH       TYR 106  18.733  12.916  -8.221
  835    H    CYS 107           H        CYS 107  12.107  10.904  -5.616
  836    HA   CYS 107           HA       CYS 107  11.223  10.801  -8.421
  837   1HB   CYS 107          2HB       CYS 107   9.100  11.950  -7.525
  838   2HB   CYS 107          1HB       CYS 107   9.293  10.229  -7.299
  839    H    GLN 108           HN       GLN 108  13.086  12.132  -8.677
  840    HA   GLN 108           HA       GLN 108  12.391  14.935  -8.603
  841   1HB   GLN 108          2HB       GLN 108  13.519  14.850  -6.525
  842   2HB   GLN 108          1HB       GLN 108  14.761  13.780  -7.150
  843   1HG   GLN 108          2HG       GLN 108  15.733  15.530  -8.421
  844   2HG   GLN 108          1HG       GLN 108  14.409  16.625  -8.028
  845   1HE2  GLN 108          1HE2      GLN 108  14.879  18.052  -6.523
  846   2HE2  GLN 108          2HE2      GLN 108  16.005  17.845  -5.229
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1   7.326  15.503  -3.902
    2   2H    MET   1          2HT       MET   1   6.178  15.326  -5.131
    3   3H    MET   1          3HT       MET   1   7.082  16.751  -5.019
    4    HA   MET   1           HA       MET   1   7.915  14.088  -5.945
    5   1HB   MET   1          2HB       MET   1   8.289  16.918  -6.948
    6   2HB   MET   1          1HB       MET   1   8.935  15.490  -7.740
    7   1HG   MET   1          1HG       MET   1   6.677  14.653  -8.101
    8   2HG   MET   1          2HG       MET   1   6.017  16.067  -7.284
    9   1HE   MET   1          1HE       MET   1   6.130  18.437  -8.109
   10   2HE   MET   1          2HE       MET   1   6.612  18.961  -9.722
   11   3HE   MET   1          3HE       MET   1   7.839  18.538  -8.528
   12    H    GLY   2           H        GLY   2   9.912  13.317  -5.613
   13   1HA   GLY   2          2HA       GLY   2  12.337  14.237  -5.427
   14   2HA   GLY   2          1HA       GLY   2  11.723  14.925  -3.934
   15    HA   PRO   3           HA       PRO   3  13.140  10.514  -3.173
   16   1HB   PRO   3          2HB       PRO   3  15.684  11.085  -2.179
   17   2HB   PRO   3          1HB       PRO   3  15.308  10.471  -3.786
   18   1HG   PRO   3          1HG       PRO   3  16.357  13.016  -3.107
   19   2HG   PRO   3          2HG       PRO   3  15.904  12.425  -4.708
   20   1HD   PRO   3          1HD       PRO   3  14.446  14.209  -2.885
   21   2HD   PRO   3          2HD       PRO   3  14.296  14.012  -4.640
   22    H    MET   4           H        MET   4  12.705   9.608  -1.276
   23    HA   MET   4           HA       MET   4  13.345  10.901   1.234
   24   1HB   MET   4          2HB       MET   4  10.859  10.561   1.956
   25   2HB   MET   4          1HB       MET   4  11.305  11.996   1.048
   26   1HG   MET   4          1HG       MET   4   9.309  11.270   0.087
   27   2HG   MET   4          2HG       MET   4  10.565  10.743  -1.028
   28   1HE   MET   4          1HE       MET   4   9.198   8.698   2.406
   29   2HE   MET   4          2HE       MET   4   7.736   8.295   1.505
   30   3HE   MET   4          3HE       MET   4   8.203   9.983   1.719
   31    HA   PRO   5           HA       PRO   5  13.979   6.843   2.943
   32   1HB   PRO   5          2HB       PRO   5  11.791   7.433   4.899
   33   2HB   PRO   5          1HB       PRO   5  13.397   6.753   5.184
   34   1HG   PRO   5          1HG       PRO   5  12.925   9.294   5.735
   35   2HG   PRO   5          2HG       PRO   5  14.448   8.821   4.955
   36   1HD   PRO   5          1HD       PRO   5  12.047  10.150   3.785
   37   2HD   PRO   5          2HD       PRO   5  13.763  10.363   3.392
   38    H    LYS   6           H        LYS   6  13.300   4.811   2.609
   39    HA   LYS   6           HA       LYS   6  10.791   4.409   1.232
   40   1HB   LYS   6          2HB       LYS   6  12.875   2.349   1.970
   41   2HB   LYS   6          1HB       LYS   6  11.615   2.192   0.756
   42   1HG   LYS   6          2HG       LYS   6  12.673   3.962  -0.568
   43   2HG   LYS   6          1HG       LYS   6  13.948   4.093   0.642
   44   1HD   LYS   6          1HD       LYS   6  13.375   1.462  -0.671
   45   2HD   LYS   6          2HD       LYS   6  14.354   2.673  -1.496
   46   1HE   LYS   6          2HE       LYS   6  15.852   1.214  -0.365
   47   2HE   LYS   6          1HE       LYS   6  15.832   2.733   0.528
   48   1HZ   LYS   6          1HZ       LYS   6  14.743   1.794   2.286
   49   2HZ   LYS   6          2HZ       LYS   6  15.661   0.472   1.769
   50   3HZ   LYS   6          3HZ       LYS   6  14.023   0.576   1.358
   51    H    LEU   7           H        LEU   7   9.473   2.437   1.753
   52    HA   LEU   7           HA       LEU   7   8.838   2.430   4.608
   53   1HB   LEU   7          2HB       LEU   7   7.337   1.238   2.269
   54   2HB   LEU   7          1HB       LEU   7   6.767   1.283   3.924
   55    HG   LEU   7           HG       LEU   7   7.326   3.771   2.316
   56   1HD1  LEU   7          1HD2      LEU   7   4.571   3.456   2.615
   57   2HD1  LEU   7          2HD2      LEU   7   5.165   1.886   2.075
   58   3HD1  LEU   7          3HD2      LEU   7   5.507   3.333   1.126
   59   1HD2  LEU   7          1HD1      LEU   7   5.661   3.346   4.793
   60   2HD2  LEU   7          2HD1      LEU   7   5.971   4.880   3.979
   61   3HD2  LEU   7          3HD1      LEU   7   7.291   4.017   4.773
   62    H    ALA   8           H        ALA   8   9.680   0.248   1.969
   63    HA   ALA   8           HA       ALA   8  10.672  -1.719   3.876
   64   1HB   ALA   8          1HB       ALA   8   9.442  -3.560   2.880
   65   2HB   ALA   8          2HB       ALA   8   8.646  -2.451   1.763
   66   3HB   ALA   8          3HB       ALA   8   8.321  -2.342   3.493
   67    H    ASP   9           H        ASP   9  11.315  -3.775   2.237
   68    HA   ASP   9           HA       ASP   9  12.995  -2.536   0.163
   69   1HB   ASP   9          2HB       ASP   9  14.683  -4.289   0.618
   70   2HB   ASP   9          1HB       ASP   9  14.390  -3.253   2.009
   71    H    ARG  10           H        ARG  10  10.955  -5.266   1.023
   72    HA   ARG  10           HA       ARG  10  10.941  -6.054  -1.817
   73   1HB   ARG  10          2HB       ARG  10  10.820  -7.952   0.522
   74   2HB   ARG  10          1HB       ARG  10  10.690  -8.405  -1.163
   75   1HG   ARG  10          1HG       ARG  10  12.974  -7.681  -1.549
   76   2HG   ARG  10          2HG       ARG  10  13.107  -7.165   0.134
   77   1HD   ARG  10          1HD       ARG  10  12.713  -9.478   0.859
   78   2HD   ARG  10          2HD       ARG  10  12.622  -9.983  -0.828
   79    HE   ARG  10           HE       ARG  10  15.057  -8.669  -0.443
   80   1HH1  ARG  10          1HH1      ARG  10  13.484 -11.635   0.575
   81   2HH1  ARG  10          2HH1      ARG  10  14.974 -12.496   0.763
   82   1HH2  ARG  10          1HH2      ARG  10  17.001  -9.815  -0.190
   83   2HH2  ARG  10          2HH2      ARG  10  16.964 -11.467   0.330
   84    H    LYS  11           H        LYS  11   9.003  -7.126  -2.536
   85    HA   LYS  11           HA       LYS  11   6.624  -6.861  -0.884
   86   1HB   LYS  11          2HB       LYS  11   5.530  -5.733  -2.998
   87   2HB   LYS  11          1HB       LYS  11   6.376  -4.768  -1.800
   88   1HG   LYS  11          2HG       LYS  11   7.251  -3.905  -3.721
   89   2HG   LYS  11          1HG       LYS  11   8.432  -5.164  -3.383
   90   1HD   LYS  11          2HD       LYS  11   7.140  -6.664  -4.923
   91   2HD   LYS  11          1HD       LYS  11   6.171  -5.257  -5.353
   92   1HE   LYS  11          2HE       LYS  11   9.160  -5.386  -5.647
   93   2HE   LYS  11          1HE       LYS  11   8.025  -5.749  -6.944
   94   1HZ   LYS  11          1HZ       LYS  11   7.729  -3.598  -7.339
   95   2HZ   LYS  11          2HZ       LYS  11   9.037  -3.289  -6.314
   96   3HZ   LYS  11          3HZ       LYS  11   7.460  -3.240  -5.708
   97    H    LEU  12           H        LEU  12   4.804  -8.041  -1.642
   98    HA   LEU  12           HA       LEU  12   5.540 -10.323  -3.303
   99   1HB   LEU  12          2HB       LEU  12   3.153  -9.782  -1.538
  100   2HB   LEU  12          1HB       LEU  12   3.246 -11.176  -2.589
  101    HG   LEU  12           HG       LEU  12   3.774 -11.869  -0.363
  102   1HD1  LEU  12          1HD2      LEU  12   6.552 -11.900  -1.187
  103   2HD1  LEU  12          2HD2      LEU  12   5.456 -12.313  -2.506
  104   3HD1  LEU  12          3HD2      LEU  12   5.407 -13.231  -1.001
  105   1HD2  LEU  12          1HD1      LEU  12   4.486  -9.533   0.356
  106   2HD2  LEU  12          2HD1      LEU  12   6.090  -9.978  -0.228
  107   3HD2  LEU  12          3HD1      LEU  12   5.335 -10.905   1.068
  108    H    CYS  13           H        CYS  13   4.469 -10.953  -5.137
  109    HA   CYS  13           HA       CYS  13   2.380  -9.229  -6.253
  110   1HB   CYS  13          2HB       CYS  13   4.920  -9.984  -7.720
  111   2HB   CYS  13          1HB       CYS  13   3.532  -9.189  -8.448
  112    H    ALA  14           H        ALA  14   1.411 -10.260  -8.262
  113    HA   ALA  14           HA       ALA  14   0.845 -13.030  -7.728
  114   1HB   ALA  14          1HB       ALA  14  -0.137 -11.022  -9.713
  115   2HB   ALA  14          2HB       ALA  14  -1.037 -11.943  -8.508
  116   3HB   ALA  14          3HB       ALA  14  -0.464 -12.738  -9.976
  117    H    ASP  15           H        ASP  15   2.724 -11.206 -10.043
  118    HA   ASP  15           HA       ASP  15   3.929 -13.704 -10.995
  119   1HB   ASP  15          1HB       ASP  15   4.141 -12.698 -13.271
  120   2HB   ASP  15          2HB       ASP  15   2.485 -13.030 -12.796
  121    H    GLN  16           H        GLN  16   6.051 -13.227 -12.167
  122    HA   GLN  16           HA       GLN  16   7.756 -11.858 -10.356
  123   1HB   GLN  16          1HB       GLN  16   8.406 -12.883 -13.122
  124   2HB   GLN  16          2HB       GLN  16   9.562 -12.473 -11.865
  125   1HG   GLN  16          2HG       GLN  16   8.682 -14.273 -10.466
  126   2HG   GLN  16          1HG       GLN  16   7.537 -14.692 -11.734
  127   1HE2  GLN  16          1HE2      GLN  16  10.362 -13.764 -13.251
  128   2HE2  GLN  16          2HE2      GLN  16  11.085 -15.318 -13.432
  129    H    GLU  17           H        GLU  17   5.937 -10.736 -12.990
  130    HA   GLU  17           HA       GLU  17   7.713  -8.517 -13.617
  131   1HB   GLU  17          2HB       GLU  17   5.018  -9.334 -14.712
  132   2HB   GLU  17          1HB       GLU  17   5.847  -7.872 -15.205
  133   1HG   GLU  17          2HG       GLU  17   6.289  -9.482 -16.864
  134   2HG   GLU  17          1HG       GLU  17   7.770  -9.327 -15.924
  135    H    CYS  18           H        CYS  18   5.139  -9.200 -11.481
  136    HA   CYS  18           HA       CYS  18   3.850  -7.974 -10.073
  137   1HB   CYS  18          1HB       CYS  18   6.114  -6.014 -10.470
  138   2HB   CYS  18          2HB       CYS  18   4.780  -5.708  -9.363
  139    H    SER  19           H        SER  19   3.404  -7.898 -12.926
  140    HA   SER  19           HA       SER  19   2.161  -5.285 -13.348
  141   1HB   SER  19          2HB       SER  19   3.727  -6.127 -15.069
  142   2HB   SER  19          1HB       SER  19   2.682  -7.515 -15.296
  143    HG   SER  19           HG       SER  19   2.468  -5.519 -16.720
  144    H    HIS  20           H        HIS  20   1.317  -8.010 -11.925
  145    HA   HIS  20           HA       HIS  20  -1.392  -8.131 -13.068
  146   1HB   HIS  20          2HB       HIS  20   0.417 -10.174 -11.909
  147   2HB   HIS  20          1HB       HIS  20  -1.293 -10.347 -11.558
  148    HD1  HIS  20           HD1      HIS  20  -0.731 -12.611 -12.940
  149    HD2  HIS  20           HD2      HIS  20  -0.952  -9.094 -15.129
  150    HE1  HIS  20           HE1      HIS  20  -1.201 -13.328 -15.286
  151    HE2  HIS  20           HE2      HIS  20  -1.395 -11.180 -16.600
  152    HA   PRO  21           HA       PRO  21  -2.852  -6.791  -9.058
  153   1HB   PRO  21          1HB       PRO  21  -5.530  -7.212  -9.477
  154   2HB   PRO  21          2HB       PRO  21  -4.624  -5.858 -10.156
  155   1HG   PRO  21          1HG       PRO  21  -5.787  -8.122 -11.524
  156   2HG   PRO  21          2HG       PRO  21  -5.048  -6.669 -12.210
  157   1HD   PRO  21          1HD       PRO  21  -3.909  -9.339 -11.857
  158   2HD   PRO  21          2HD       PRO  21  -3.329  -7.984 -12.850
  159    H    ILE  22           H        ILE  22  -2.512  -7.964  -7.270
  160    HA   ILE  22           HA       ILE  22  -2.986 -10.732  -7.028
  161    HB   ILE  22           HB       ILE  22  -2.658  -8.742  -4.770
  162   1HG1  ILE  22          1HG1      ILE  22  -0.504 -10.427  -6.065
  163   2HG1  ILE  22          2HG1      ILE  22  -0.825  -8.759  -6.538
  164   1HG2  ILE  22          1HG2      ILE  22  -3.437 -11.328  -4.546
  165   2HG2  ILE  22          2HG2      ILE  22  -2.496 -10.474  -3.323
  166   3HG2  ILE  22          3HG2      ILE  22  -1.683 -11.512  -4.493
  167   1HD1  ILE  22          1HD1      ILE  22   0.949  -8.597  -5.051
  168   2HD1  ILE  22          2HD1      ILE  22   0.271  -9.803  -3.958
  169   3HD1  ILE  22          3HD1      ILE  22  -0.457  -8.200  -4.063
  170    H    SER  23           H        SER  23  -4.557  -8.160  -5.114
  171    HA   SER  23           HA       SER  23  -7.083  -9.645  -5.321
  172   1HB   SER  23          2HB       SER  23  -7.465  -8.989  -2.881
  173   2HB   SER  23          1HB       SER  23  -6.256 -10.240  -3.172
  174    HG   SER  23           HG       SER  23  -4.657  -8.798  -2.771
  175    H    MET  24           H        MET  24  -8.992  -8.408  -5.074
  176    HA   MET  24           HA       MET  24  -8.626  -5.548  -5.698
  177   1HB   MET  24          1HB       MET  24  -9.721  -7.091  -7.373
  178   2HB   MET  24          2HB       MET  24 -11.047  -7.258  -6.235
  179   1HG   MET  24          2HG       MET  24 -10.205  -4.544  -7.107
  180   2HG   MET  24          1HG       MET  24 -11.159  -5.559  -8.182
  181   1HE   MET  24          1HE       MET  24 -13.308  -6.589  -7.656
  182   2HE   MET  24          2HE       MET  24 -14.544  -5.883  -6.616
  183   3HE   MET  24          3HE       MET  24 -13.373  -7.019  -5.947
  184    H    ALA  25           H        ALA  25  -9.198  -4.126  -4.168
  185    HA   ALA  25           HA       ALA  25 -11.131  -5.004  -2.116
  186   1HB   ALA  25          1HB       ALA  25  -8.468  -4.395  -1.721
  187   2HB   ALA  25          2HB       ALA  25  -9.719  -4.488  -0.482
  188   3HB   ALA  25          3HB       ALA  25  -9.317  -2.934  -1.213
  189    H    VAL  26           H        VAL  26 -12.533  -3.520  -1.257
  190    HA   VAL  26           HA       VAL  26 -13.015  -1.128  -2.908
  191    HB   VAL  26           HB       VAL  26 -14.869  -2.430  -0.890
  192   1HG1  VAL  26          1HG2      VAL  26 -15.494  -0.409  -3.042
  193   2HG1  VAL  26          2HG2      VAL  26 -15.281  -0.021  -1.335
  194   3HG1  VAL  26          3HG2      VAL  26 -16.609  -1.063  -1.843
  195   1HG2  VAL  26          1HG1      VAL  26 -14.257  -3.810  -2.944
  196   2HG2  VAL  26          2HG1      VAL  26 -15.129  -2.595  -3.879
  197   3HG2  VAL  26          3HG1      VAL  26 -15.973  -3.532  -2.648
  198    H    ALA  27           H        ALA  27 -12.825   0.904  -2.078
  199    HA   ALA  27           HA       ALA  27 -11.503   1.282   0.424
  200   1HB   ALA  27          1HB       ALA  27 -11.007   3.316  -0.357
  201   2HB   ALA  27          2HB       ALA  27 -12.681   3.667  -0.788
  202   3HB   ALA  27          3HB       ALA  27 -11.671   2.721  -1.881
  203    H    LEU  28           H        LEU  28 -12.245   1.916   2.363
  204    HA   LEU  28           HA       LEU  28 -15.145   2.006   2.729
  205   1HB   LEU  28          2HB       LEU  28 -12.915   1.733   4.743
  206   2HB   LEU  28          1HB       LEU  28 -14.623   1.718   5.131
  207    HG   LEU  28           HG       LEU  28 -13.307  -0.326   3.342
  208   1HD1  LEU  28          1HD2      LEU  28 -13.742  -1.762   5.478
  209   2HD1  LEU  28          2HD2      LEU  28 -13.631  -0.207   6.303
  210   3HD1  LEU  28          3HD2      LEU  28 -12.274  -0.794   5.341
  211   1HD2  LEU  28          1HD1      LEU  28 -15.663  -1.199   4.715
  212   2HD2  LEU  28          2HD1      LEU  28 -15.352  -1.111   2.982
  213   3HD2  LEU  28          3HD1      LEU  28 -16.006   0.289   3.832
  214    H    GLN  29           H        GLN  29 -12.425   4.139   2.755
  215    HA   GLN  29           HA       GLN  29 -14.174   6.330   3.536
  216   1HB   GLN  29          1HB       GLN  29 -12.598   7.213   5.209
  217   2HB   GLN  29          2HB       GLN  29 -13.246   5.647   5.674
  218   1HG   GLN  29          2HG       GLN  29 -11.199   4.554   5.061
  219   2HG   GLN  29          1HG       GLN  29 -10.549   6.055   4.402
  220   1HE2  GLN  29          1HE2      GLN  29  -9.224   7.112   5.666
  221   2HE2  GLN  29          2HE2      GLN  29  -9.175   7.039   7.390
  222    H    ASP  30           H        ASP  30 -12.596   8.435   3.662
  223    HA   ASP  30           HA       ASP  30 -11.502   8.646   0.972
  224   1HB   ASP  30          1HB       ASP  30 -12.012  10.756   3.083
  225   2HB   ASP  30          2HB       ASP  30 -11.462  11.079   1.442
  226    H    TYR  31           H        TYR  31  -9.447   9.487   0.512
  227    HA   TYR  31           HA       TYR  31  -7.500   9.817   2.636
  228   1HB   TYR  31          2HB       TYR  31  -7.607   7.323   2.011
  229   2HB   TYR  31          1HB       TYR  31  -6.929   7.800   0.462
  230    HD1  TYR  31           HD1      TYR  31  -4.620   7.880   0.203
  231    HD2  TYR  31           HD2      TYR  31  -6.252   8.079   4.130
  232    HE1  TYR  31           HE1      TYR  31  -2.353   7.768   1.146
  233    HE2  TYR  31           HE2      TYR  31  -3.989   7.969   5.082
  234    HH   TYR  31           HH       TYR  31  -1.421   6.908   3.601
  235    H    MET  32           H        MET  32  -5.902  11.223   2.072
  236    HA   MET  32           HA       MET  32  -5.849  12.145  -0.729
  237   1HB   MET  32          2HB       MET  32  -5.185  13.674   1.796
  238   2HB   MET  32          1HB       MET  32  -5.009  14.303   0.165
  239   1HG   MET  32          1HG       MET  32  -7.604  13.431   1.421
  240   2HG   MET  32          2HG       MET  32  -7.043  15.092   1.278
  241   1HE   MET  32          1HE       MET  32  -9.616  14.596   0.643
  242   2HE   MET  32          2HE       MET  32 -10.139  14.306  -1.016
  243   3HE   MET  32          3HE       MET  32  -9.474  15.876  -0.561
  244    H    ALA  33           H        ALA  33  -3.895  12.359  -1.773
  245    HA   ALA  33           HA       ALA  33  -1.685  10.872  -0.606
  246   1HB   ALA  33          1HB       ALA  33  -2.330  11.844  -3.359
  247   2HB   ALA  33          2HB       ALA  33  -2.104  10.194  -2.781
  248   3HB   ALA  33          3HB       ALA  33  -0.714  11.265  -2.956
  249    HA   PRO  34           HA       PRO  34   0.279  14.879   0.356
  250   1HB   PRO  34          2HB       PRO  34   2.135  13.402   2.015
  251   2HB   PRO  34          1HB       PRO  34   0.882  14.541   2.510
  252   1HG   PRO  34          2HG       PRO  34   0.773  11.880   3.046
  253   2HG   PRO  34          1HG       PRO  34  -0.674  12.887   2.829
  254   1HD   PRO  34          2HD       PRO  34   0.671  11.054   0.868
  255   2HD   PRO  34          1HD       PRO  34  -1.058  11.250   1.222
  256    H    ASP  35           H        ASP  35   2.294  11.937   0.055
  257    HA   ASP  35           HA       ASP  35   4.402  13.448  -1.270
  258   1HB   ASP  35          2HB       ASP  35   4.799  11.703   0.548
  259   2HB   ASP  35          1HB       ASP  35   4.368  10.494  -0.653
  260    H    CYS  36           H        CYS  36   5.422  12.478  -3.239
  261    HA   CYS  36           HA       CYS  36   3.566  12.319  -5.346
  262   1HB   CYS  36          2HB       CYS  36   5.502  11.895  -6.768
  263   2HB   CYS  36          1HB       CYS  36   5.858  13.166  -5.603
  264    H    ARG  37           H        ARG  37   5.017   9.799  -3.401
  265    HA   ARG  37           HA       ARG  37   4.259   7.761  -5.333
  266   1HB   ARG  37          2HB       ARG  37   5.396   6.173  -3.875
  267   2HB   ARG  37          1HB       ARG  37   6.429   7.536  -4.274
  268   1HG   ARG  37          2HG       ARG  37   6.130   8.485  -2.100
  269   2HG   ARG  37          1HG       ARG  37   4.904   7.280  -1.693
  270   1HD   ARG  37          2HD       ARG  37   6.637   5.515  -1.996
  271   2HD   ARG  37          1HD       ARG  37   7.834   6.792  -2.207
  272    HE   ARG  37           HE       ARG  37   7.908   6.997   0.049
  273   1HH1  ARG  37          1HH1      ARG  37   4.832   5.500  -0.725
  274   2HH1  ARG  37          2HH1      ARG  37   4.369   5.332   0.933
  275   1HH2  ARG  37          1HH2      ARG  37   7.277   6.770   2.213
  276   2HH2  ARG  37          2HH2      ARG  37   5.748   6.052   2.592
  277    H    PHE  38           H        PHE  38   2.447   9.379  -3.200
  278    HA   PHE  38           HA       PHE  38   1.039   7.008  -2.181
  279   1HB   PHE  38          2HB       PHE  38   1.044   9.893  -1.392
  280   2HB   PHE  38          1HB       PHE  38  -0.378   8.924  -1.043
  281    HD1  PHE  38           HD1      PHE  38   3.298   9.085  -0.466
  282    HD2  PHE  38           HD2      PHE  38  -0.456   7.566   0.837
  283    HE1  PHE  38           HE1      PHE  38   4.347   8.272   1.600
  284    HE2  PHE  38           HE2      PHE  38   0.589   6.747   2.904
  285    HZ   PHE  38           HZ       PHE  38   2.994   7.102   3.291
  286    H    LEU  39           H        LEU  39  -1.360   7.005  -2.291
  287    HA   LEU  39           HA       LEU  39  -2.293   8.142  -4.855
  288   1HB   LEU  39          1HB       LEU  39  -2.873   5.514  -3.528
  289   2HB   LEU  39          2HB       LEU  39  -3.971   6.183  -4.718
  290    HG   LEU  39           HG       LEU  39  -1.059   5.701  -5.325
  291   1HD1  LEU  39          1HD1      LEU  39  -3.401   3.824  -5.542
  292   2HD1  LEU  39          2HD1      LEU  39  -1.863   3.558  -4.720
  293   3HD1  LEU  39          3HD1      LEU  39  -1.922   3.629  -6.481
  294   1HD2  LEU  39          1HD2      LEU  39  -2.391   7.224  -6.790
  295   2HD2  LEU  39          2HD2      LEU  39  -3.463   5.866  -7.135
  296   3HD2  LEU  39          3HD2      LEU  39  -1.767   5.793  -7.612
  297    H    THR  40           H        THR  40  -4.159   9.268  -4.934
  298    HA   THR  40           HA       THR  40  -5.505   9.861  -2.408
  299    HB   THR  40           HB       THR  40  -5.922  11.093  -5.152
  300    HG1  THR  40           HG1      THR  40  -4.392  12.459  -4.672
  301   1HG2  THR  40          1HG2      THR  40  -7.742  11.323  -3.306
  302   2HG2  THR  40          2HG2      THR  40  -7.218  12.740  -4.217
  303   3HG2  THR  40          3HG2      THR  40  -6.598  12.460  -2.588
  304    H    ILE  41           H        ILE  41  -7.073   8.516  -1.850
  305    HA   ILE  41           HA       ILE  41  -8.763   7.326  -3.959
  306    HB   ILE  41           HB       ILE  41  -8.221   6.226  -1.185
  307   1HG1  ILE  41          1HG1      ILE  41  -7.086   5.277  -3.833
  308   2HG1  ILE  41          2HG1      ILE  41  -6.206   6.290  -2.696
  309   1HG2  ILE  41          1HG2      ILE  41  -9.521   4.939  -3.595
  310   2HG2  ILE  41          2HG2      ILE  41 -10.363   5.510  -2.154
  311   3HG2  ILE  41          3HG2      ILE  41  -9.227   4.166  -2.036
  312   1HD1  ILE  41          1HD1      ILE  41  -6.499   4.462  -1.002
  313   2HD1  ILE  41          2HD1      ILE  41  -5.458   4.078  -2.374
  314   3HD1  ILE  41          3HD1      ILE  41  -7.106   3.454  -2.316
  315    H    HIS  42           H        HIS  42 -11.008   7.105  -3.583
  316    HA   HIS  42           HA       HIS  42 -12.097   8.889  -1.506
  317   1HB   HIS  42          2HB       HIS  42 -13.113   8.334  -4.298
  318   2HB   HIS  42          1HB       HIS  42 -14.076   9.143  -3.067
  319    HD1  HIS  42           HD1      HIS  42 -12.541  11.300  -1.968
  320    HD2  HIS  42           HD2      HIS  42 -11.947  10.143  -5.915
  321    HE1  HIS  42           HE1      HIS  42 -11.493  13.286  -3.100
  322    HE2  HIS  42           HE2      HIS  42 -11.246  12.600  -5.511
  323    H    ARG  43           H        ARG  43 -14.123   8.286  -0.584
  324    HA   ARG  43           HA       ARG  43 -14.274   5.585   0.179
  325   1HB   ARG  43          2HB       ARG  43 -15.035   7.501   1.558
  326   2HB   ARG  43          1HB       ARG  43 -16.379   7.742   0.453
  327   1HG   ARG  43          1HG       ARG  43 -17.213   5.493   1.026
  328   2HG   ARG  43          2HG       ARG  43 -15.898   5.330   2.189
  329   1HD   ARG  43          2HD       ARG  43 -17.921   5.998   3.331
  330   2HD   ARG  43          1HD       ARG  43 -16.738   7.304   3.391
  331    HE   ARG  43           HE       ARG  43 -18.394   7.714   1.173
  332   1HH1  ARG  43          1HH1      ARG  43 -18.628   7.757   4.673
  333   2HH1  ARG  43          2HH1      ARG  43 -19.912   8.916   4.687
  334   1HH2  ARG  43          1HH2      ARG  43 -20.079   9.233   1.213
  335   2HH2  ARG  43          2HH2      ARG  43 -20.734   9.752   2.730
  336    H    GLY  44           H        GLY  44 -14.987   3.911  -0.959
  337   1HA   GLY  44          2HA       GLY  44 -16.808   2.722  -1.944
  338   2HA   GLY  44          1HA       GLY  44 -17.418   4.239  -2.577
  339    H    GLN  45           H        GLN  45 -14.159   4.286  -3.194
  340    HA   GLN  45           HA       GLN  45 -14.628   3.628  -5.972
  341   1HB   GLN  45          1HB       GLN  45 -12.248   4.753  -4.514
  342   2HB   GLN  45          2HB       GLN  45 -12.168   4.288  -6.207
  343   1HG   GLN  45          1HG       GLN  45 -14.145   5.846  -6.567
  344   2HG   GLN  45          2HG       GLN  45 -13.809   6.457  -4.946
  345   1HE2  GLN  45          1HE2      GLN  45 -13.312   7.057  -8.099
  346   2HE2  GLN  45          2HE2      GLN  45 -11.827   7.938  -8.018
  347    H    VAL  46           H        VAL  46 -13.424   2.179  -7.216
  348    HA   VAL  46           HA       VAL  46 -12.765  -0.300  -5.838
  349    HB   VAL  46           HB       VAL  46 -12.766   0.250  -8.816
  350   1HG1  VAL  46          1HG1      VAL  46 -13.496  -2.417  -7.974
  351   2HG1  VAL  46          2HG1      VAL  46 -11.893  -1.964  -7.396
  352   3HG1  VAL  46          3HG1      VAL  46 -12.262  -1.890  -9.119
  353   1HG2  VAL  46          1HG2      VAL  46 -14.987   0.226  -7.054
  354   2HG2  VAL  46          2HG2      VAL  46 -15.054  -1.239  -8.034
  355   3HG2  VAL  46          3HG2      VAL  46 -14.978   0.341  -8.815
  356    H    VAL  47           H        VAL  47 -10.714  -0.608  -5.154
  357    HA   VAL  47           HA       VAL  47  -8.526   0.550  -6.765
  358    HB   VAL  47           HB       VAL  47  -8.302  -0.139  -3.837
  359   1HG1  VAL  47          1HG1      VAL  47  -6.306   1.085  -3.851
  360   2HG1  VAL  47          2HG1      VAL  47  -6.688   1.864  -5.386
  361   3HG1  VAL  47          3HG1      VAL  47  -6.260   0.152  -5.346
  362   1HG2  VAL  47          1HG2      VAL  47  -8.364   2.605  -3.939
  363   2HG2  VAL  47          2HG2      VAL  47  -9.683   1.564  -3.401
  364   3HG2  VAL  47          3HG2      VAL  47  -9.639   2.143  -5.066
  365    H    TYR  48           H        TYR  48  -6.971  -0.755  -7.517
  366    HA   TYR  48           HA       TYR  48  -7.157  -3.605  -6.864
  367   1HB   TYR  48          2HB       TYR  48  -6.003  -2.179  -9.260
  368   2HB   TYR  48          1HB       TYR  48  -5.740  -3.888  -8.957
  369    HD1  TYR  48           HD1      TYR  48  -7.211  -5.435  -9.837
  370    HD2  TYR  48           HD2      TYR  48  -8.526  -1.413  -9.370
  371    HE1  TYR  48           HE1      TYR  48  -9.292  -5.981 -11.025
  372    HE2  TYR  48           HE2      TYR  48 -10.611  -1.955 -10.551
  373    HH   TYR  48           HH       TYR  48 -11.977  -3.846 -11.110
  374    H    VAL  49           H        VAL  49  -5.567  -4.632  -5.830
  375    HA   VAL  49           HA       VAL  49  -3.186  -3.111  -5.063
  376    HB   VAL  49           HB       VAL  49  -4.045  -5.831  -4.051
  377   1HG1  VAL  49          1HG1      VAL  49  -2.669  -4.879  -2.029
  378   2HG1  VAL  49          2HG1      VAL  49  -1.927  -3.882  -3.279
  379   3HG1  VAL  49          3HG1      VAL  49  -1.853  -5.639  -3.396
  380   1HG2  VAL  49          1HG2      VAL  49  -5.746  -4.799  -3.042
  381   2HG2  VAL  49          2HG2      VAL  49  -5.139  -3.203  -3.483
  382   3HG2  VAL  49          3HG2      VAL  49  -4.537  -4.006  -2.034
  383    H    PHE  50           H        PHE  50  -1.263  -3.458  -5.990
  384    HA   PHE  50           HA       PHE  50  -0.932  -5.836  -7.681
  385   1HB   PHE  50          2HB       PHE  50   0.178  -3.054  -7.862
  386   2HB   PHE  50          1HB       PHE  50   1.010  -4.391  -8.647
  387    HD1  PHE  50           HD1      PHE  50  -2.463  -2.985  -8.408
  388    HD2  PHE  50           HD2      PHE  50   0.529  -4.796 -10.837
  389    HE1  PHE  50           HE1      PHE  50  -3.935  -2.787 -10.367
  390    HE2  PHE  50           HE2      PHE  50  -0.943  -4.600 -12.799
  391    HZ   PHE  50           HZ       PHE  50  -3.177  -3.595 -12.565
  392    H    SER  51           H        SER  51   0.501  -4.059  -5.011
  393    HA   SER  51           HA       SER  51   2.307  -6.313  -4.567
  394   1HB   SER  51          2HB       SER  51   4.228  -4.793  -4.151
  395   2HB   SER  51          1HB       SER  51   3.692  -4.776  -5.828
  396    HG   SER  51           HG       SER  51   4.100  -2.678  -4.693
  397    H    LYS  52           H        LYS  52   2.868  -6.711  -2.474
  398    HA   LYS  52           HA       LYS  52   1.704  -4.925  -0.420
  399   1HB   LYS  52          2HB       LYS  52   2.071  -7.894  -0.028
  400   2HB   LYS  52          1HB       LYS  52   1.128  -6.784   0.940
  401   1HG   LYS  52          1HG       LYS  52  -0.493  -6.551  -0.853
  402   2HG   LYS  52          2HG       LYS  52   0.472  -7.610  -1.880
  403   1HD   LYS  52          1HD       LYS  52   0.115  -9.444  -0.343
  404   2HD   LYS  52          2HD       LYS  52  -0.763  -8.380   0.759
  405   1HE   LYS  52          1HE       LYS  52  -1.574  -9.145  -2.044
  406   2HE   LYS  52          2HE       LYS  52  -2.316  -9.681  -0.542
  407   1HZ   LYS  52          1HZ       LYS  52  -3.690  -7.979  -0.757
  408   2HZ   LYS  52          2HZ       LYS  52  -2.783  -7.296  -2.010
  409   3HZ   LYS  52          3HZ       LYS  52  -2.389  -6.956  -0.402
  410    H    LEU  53           H        LEU  53   3.341  -3.862   0.515
  411    HA   LEU  53           HA       LEU  53   6.037  -4.771   0.472
  412   1HB   LEU  53          1HB       LEU  53   4.866  -2.582   2.184
  413   2HB   LEU  53          2HB       LEU  53   6.549  -2.779   1.731
  414    HG   LEU  53           HG       LEU  53   4.366  -2.253  -0.284
  415   1HD1  LEU  53          1HD2      LEU  53   6.220  -0.105   0.578
  416   2HD1  LEU  53          2HD2      LEU  53   4.858  -0.495   1.630
  417   3HD1  LEU  53          3HD2      LEU  53   4.572  -0.003  -0.040
  418   1HD2  LEU  53          1HD1      LEU  53   7.167  -2.846  -0.469
  419   2HD2  LEU  53          2HD1      LEU  53   6.845  -1.232  -1.105
  420   3HD2  LEU  53          3HD1      LEU  53   5.981  -2.626  -1.757
  421    H    LYS  54           H        LYS  54   7.429  -5.281   2.198
  422    HA   LYS  54           HA       LYS  54   6.091  -6.398   4.586
  423   1HB   LYS  54          2HB       LYS  54   8.608  -7.364   3.201
  424   2HB   LYS  54          1HB       LYS  54   7.972  -8.022   4.701
  425   1HG   LYS  54          2HG       LYS  54   5.917  -8.683   3.501
  426   2HG   LYS  54          1HG       LYS  54   6.656  -8.123   1.999
  427   1HD   LYS  54          2HD       LYS  54   7.906 -10.211   3.779
  428   2HD   LYS  54          1HD       LYS  54   6.826 -10.603   2.441
  429   1HE   LYS  54          2HE       LYS  54   8.356  -9.501   0.880
  430   2HE   LYS  54          1HE       LYS  54   9.437  -9.106   2.217
  431   1HZ   LYS  54          1HZ       LYS  54  10.175 -11.070   1.018
  432   2HZ   LYS  54          2HZ       LYS  54   8.710 -11.851   1.343
  433   3HZ   LYS  54          3HZ       LYS  54   9.762 -11.463   2.611
  434    H    GLY  55           H        GLY  55   9.200  -6.816   5.358
  435   1HA   GLY  55          1HA       GLY  55  10.751  -5.714   6.624
  436   2HA   GLY  55          2HA       GLY  55  10.249  -4.242   5.809
  437    H    ARG  56           H        ARG  56  10.091  -2.812   7.409
  438    HA   ARG  56           HA       ARG  56   8.844  -3.506   9.936
  439   1HB   ARG  56          2HB       ARG  56  10.117  -0.952   8.934
  440   2HB   ARG  56          1HB       ARG  56   9.368  -1.099  10.515
  441   1HG   ARG  56          1HG       ARG  56  11.597  -1.414  10.992
  442   2HG   ARG  56          2HG       ARG  56  11.010  -3.070  10.852
  443   1HD   ARG  56          2HD       ARG  56  11.851  -3.179   8.558
  444   2HD   ARG  56          1HD       ARG  56  12.428  -1.518   8.687
  445    HE   ARG  56           HE       ARG  56  13.552  -3.009  10.771
  446   1HH1  ARG  56          1HH1      ARG  56  13.750  -2.799   7.275
  447   2HH1  ARG  56          2HH1      ARG  56  15.385  -3.361   7.220
  448   1HH2  ARG  56          1HH2      ARG  56  15.698  -3.745  10.677
  449   2HH2  ARG  56          2HH2      ARG  56  16.488  -3.897   9.144
  450    H    GLY  57           H        GLY  57   7.692  -2.712   6.988
  451   1HA   GLY  57          1HA       GLY  57   5.269  -1.479   8.127
  452   2HA   GLY  57          2HA       GLY  57   5.982  -0.860   6.644
  453    H    ARG  58           H        ARG  58   5.059  -4.033   7.981
  454    HA   ARG  58           HA       ARG  58   4.451  -5.110   5.426
  455   1HB   ARG  58          1HB       ARG  58   3.824  -7.111   6.541
  456   2HB   ARG  58          2HB       ARG  58   5.205  -6.458   7.390
  457   1HG   ARG  58          2HG       ARG  58   2.489  -5.859   8.403
  458   2HG   ARG  58          1HG       ARG  58   3.190  -7.443   8.700
  459   1HD   ARG  58          2HD       ARG  58   3.871  -6.326  10.577
  460   2HD   ARG  58          1HD       ARG  58   5.242  -6.027   9.512
  461    HE   ARG  58           HE       ARG  58   3.428  -3.941   9.166
  462   1HH1  ARG  58          1HH1      ARG  58   5.508  -5.195  11.698
  463   2HH1  ARG  58          2HH1      ARG  58   5.709  -3.651  12.455
  464   1HH2  ARG  58          1HH2      ARG  58   3.704  -1.927  10.175
  465   2HH2  ARG  58          2HH2      ARG  58   4.689  -1.803  11.594
  466    H    LEU  59           H        LEU  59   2.725  -2.941   7.264
  467    HA   LEU  59           HA       LEU  59   0.124  -3.952   6.392
  468   1HB   LEU  59          2HB       LEU  59  -0.847  -2.209   7.828
  469   2HB   LEU  59          1HB       LEU  59   0.210  -3.292   8.707
  470    HG   LEU  59           HG       LEU  59   1.949  -1.293   8.149
  471   1HD1  LEU  59          1HD1      LEU  59   0.833   0.843   8.542
  472   2HD1  LEU  59          2HD1      LEU  59  -0.734   0.035   8.518
  473   3HD1  LEU  59          3HD1      LEU  59   0.255   0.085   7.058
  474   1HD2  LEU  59          1HD2      LEU  59   1.925  -1.942  10.331
  475   2HD2  LEU  59          2HD2      LEU  59   0.165  -1.915  10.437
  476   3HD2  LEU  59          3HD2      LEU  59   1.075  -0.404  10.484
  477    H    PHE  60           H        PHE  60   2.502  -2.206   5.051
  478    HA   PHE  60           HA       PHE  60   0.761  -0.216   3.791
  479   1HB   PHE  60          2HB       PHE  60   3.759  -0.569   3.791
  480   2HB   PHE  60          1HB       PHE  60   2.943   0.564   2.721
  481    HD1  PHE  60           HD1      PHE  60   2.118   2.641   3.520
  482    HD2  PHE  60           HD2      PHE  60   3.712  -0.214   6.244
  483    HE1  PHE  60           HE1      PHE  60   2.181   4.358   5.278
  484    HE2  PHE  60           HE2      PHE  60   3.771   1.498   8.009
  485    HZ   PHE  60           HZ       PHE  60   3.005   3.788   7.527
  486    H    TRP  61           H        TRP  61  -0.151  -0.589   1.923
  487    HA   TRP  61           HA       TRP  61   0.934  -2.704   0.185
  488   1HB   TRP  61          1HB       TRP  61  -1.879  -1.747   0.693
  489   2HB   TRP  61          2HB       TRP  61  -1.479  -2.640  -0.767
  490    HD1  TRP  61           HD1      TRP  61   0.600  -4.219   1.767
  491    HE1  TRP  61           HE1      TRP  61  -0.522  -6.307   2.749
  492    HE3  TRP  61           HE3      TRP  61  -4.189  -3.432   0.131
  493    HZ2  TRP  61           HZ2      TRP  61  -3.086  -7.466   2.844
  494    HZ3  TRP  61           HZ3      TRP  61  -5.913  -5.083   0.721
  495    HH2  TRP  61           HH2      TRP  61  -5.373  -7.057   2.048
  496    H    GLY  62           H        GLY  62  -0.064  -2.273  -2.192
  497   1HA   GLY  62          2HA       GLY  62  -0.050   0.499  -2.993
  498   2HA   GLY  62          1HA       GLY  62   1.456  -0.366  -3.418
  499    H    GLY  63           H        GLY  63  -0.183   0.754  -5.358
  500   1HA   GLY  63          2HA       GLY  63  -0.389  -1.140  -7.291
  501   2HA   GLY  63          1HA       GLY  63  -1.934  -1.252  -6.461
  502    H    SER  64           H        SER  64  -3.234  -0.484  -8.058
  503    HA   SER  64           HA       SER  64  -2.906   2.361  -8.725
  504   1HB   SER  64          1HB       SER  64  -3.630   1.926 -11.028
  505   2HB   SER  64          2HB       SER  64  -2.160   1.024 -10.659
  506    HG   SER  64           HG       SER  64  -4.115  -0.050 -11.728
  507    H    VAL  65           H        VAL  65  -4.706   3.553  -8.516
  508    HA   VAL  65           HA       VAL  65  -7.119   2.191  -7.618
  509    HB   VAL  65           HB       VAL  65  -6.358   3.974  -6.183
  510   1HG1  VAL  65          1HG1      VAL  65  -5.874   5.369  -8.649
  511   2HG1  VAL  65          2HG1      VAL  65  -5.295   5.730  -7.023
  512   3HG1  VAL  65          3HG1      VAL  65  -6.854   6.355  -7.563
  513   1HG2  VAL  65          1HG2      VAL  65  -8.821   4.921  -7.642
  514   2HG2  VAL  65          2HG2      VAL  65  -8.366   5.291  -5.978
  515   3HG2  VAL  65          3HG2      VAL  65  -8.793   3.640  -6.428
  516    H    GLN  66           H        GLN  66  -8.886   1.940  -8.783
  517    HA   GLN  66           HA       GLN  66  -9.040   3.263 -11.400
  518   1HB   GLN  66          1HB       GLN  66  -9.124   0.815 -11.451
  519   2HB   GLN  66          2HB       GLN  66 -10.501   0.823 -10.357
  520   1HG   GLN  66          2HG       GLN  66 -11.925   1.742 -11.992
  521   2HG   GLN  66          1HG       GLN  66 -10.574   2.167 -13.040
  522   1HE2  GLN  66          1HE2      GLN  66 -10.402   0.948 -14.728
  523   2HE2  GLN  66          2HE2      GLN  66 -10.823  -0.728 -14.844
  524    H    GLY  67           H        GLY  67 -10.948   4.258 -12.106
  525   1HA   GLY  67          1HA       GLY  67 -13.391   4.519 -10.975
  526   2HA   GLY  67          2HA       GLY  67 -12.409   5.620 -10.020
  527    H    ASP  68           H        ASP  68 -10.789   5.899 -12.679
  528    HA   ASP  68           HA       ASP  68 -12.627   7.685 -14.097
  529   1HB   ASP  68          2HB       ASP  68  -9.855   8.391 -13.128
  530   2HB   ASP  68          1HB       ASP  68 -10.733   9.334 -14.327
  531    H    TYR  69           H        TYR  69  -9.522   6.102 -14.065
  532    HA   TYR  69           HA       TYR  69  -8.183   5.156 -15.622
  533   1HB   TYR  69          2HB       TYR  69 -10.230   3.707 -15.800
  534   2HB   TYR  69          1HB       TYR  69 -10.732   4.674 -17.179
  535    HD1  TYR  69           HD1      TYR  69 -10.370   3.678 -19.217
  536    HD2  TYR  69           HD2      TYR  69  -7.586   2.927 -16.085
  537    HE1  TYR  69           HE1      TYR  69  -9.084   2.213 -20.715
  538    HE2  TYR  69           HE2      TYR  69  -6.292   1.466 -17.579
  539    HH   TYR  69           HH       TYR  69  -6.652   1.416 -20.870
  540    H    TYR  70           H        TYR  70  -7.116   7.086 -16.148
  541    HA   TYR  70           HA       TYR  70  -7.740   8.109 -18.837
  542   1HB   TYR  70          2HB       TYR  70  -7.006   9.623 -16.356
  543   2HB   TYR  70          1HB       TYR  70  -6.508  10.249 -17.922
  544    HD1  TYR  70           HD1      TYR  70  -7.924  11.657 -19.073
  545    HD2  TYR  70           HD2      TYR  70  -9.581   9.060 -16.138
  546    HE1  TYR  70           HE1      TYR  70 -10.113  12.739 -19.358
  547    HE2  TYR  70           HE2      TYR  70 -11.776  10.131 -16.420
  548    HH   TYR  70           HH       TYR  70 -12.423  12.771 -17.386
  549    H    GLY  71           H        GLY  71  -5.536   6.572 -16.839
  550   1HA   GLY  71          1HA       GLY  71  -3.529   5.585 -17.550
  551   2HA   GLY  71          2HA       GLY  71  -3.478   6.712 -18.898
  552    H    ASP  72           H        ASP  72  -4.143   8.182 -15.905
  553    HA   ASP  72           HA       ASP  72  -1.318   8.962 -15.589
  554   1HB   ASP  72          2HB       ASP  72  -3.779  10.697 -15.278
  555   2HB   ASP  72          1HB       ASP  72  -2.149  11.192 -14.829
  556    H    LEU  73           H        LEU  73  -4.130   7.707 -14.134
  557    HA   LEU  73           HA       LEU  73  -2.957   8.068 -11.466
  558   1HB   LEU  73          2HB       LEU  73  -5.347   7.527 -10.644
  559   2HB   LEU  73          1HB       LEU  73  -4.976   9.133 -11.210
  560    HG   LEU  73           HG       LEU  73  -7.230   8.279 -11.858
  561   1HD1  LEU  73          1HD1      LEU  73  -6.115   8.678 -14.498
  562   2HD1  LEU  73          2HD1      LEU  73  -5.473   9.819 -13.316
  563   3HD1  LEU  73          3HD1      LEU  73  -7.215   9.691 -13.562
  564   1HD2  LEU  73          1HD2      LEU  73  -6.212   5.927 -12.411
  565   2HD2  LEU  73          2HD2      LEU  73  -6.031   6.632 -14.017
  566   3HD2  LEU  73          3HD2      LEU  73  -7.626   6.539 -13.270
  567    H    ALA  74           H        ALA  74  -3.383   5.818 -13.843
  568    HA   ALA  74           HA       ALA  74  -3.067   3.628 -11.913
  569   1HB   ALA  74          1HB       ALA  74  -5.428   3.818 -12.936
  570   2HB   ALA  74          2HB       ALA  74  -4.634   2.243 -12.926
  571   3HB   ALA  74          3HB       ALA  74  -4.672   3.201 -14.405
  572    H    ALA  75           H        ALA  75  -1.106   5.096 -13.440
  573    HA   ALA  75           HA       ALA  75   0.073   2.847 -14.900
  574   1HB   ALA  75          1HB       ALA  75   0.605   5.441 -16.155
  575   2HB   ALA  75          2HB       ALA  75  -1.068   4.897 -16.279
  576   3HB   ALA  75          3HB       ALA  75   0.237   3.878 -16.886
  577    H    ARG  76           H        ARG  76   0.371   5.053 -12.491
  578    HA   ARG  76           HA       ARG  76   3.278   5.273 -12.775
  579   1HB   ARG  76          1HB       ARG  76   3.145   7.104 -11.106
  580   2HB   ARG  76          2HB       ARG  76   2.242   7.439 -12.576
  581   1HG   ARG  76          2HG       ARG  76   0.162   6.853 -11.449
  582   2HG   ARG  76          1HG       ARG  76   1.059   6.479  -9.976
  583   1HD   ARG  76          2HD       ARG  76   1.817   8.794  -9.843
  584   2HD   ARG  76          1HD       ARG  76   0.948   9.172 -11.330
  585    HE   ARG  76           HE       ARG  76  -0.865   8.087  -9.495
  586   1HH1  ARG  76          1HH1      ARG  76   1.059  10.992  -9.898
  587   2HH1  ARG  76          2HH1      ARG  76  -0.043  11.983  -9.004
  588   1HH2  ARG  76          1HH2      ARG  76  -2.297   9.403  -8.326
  589   2HH2  ARG  76          2HH2      ARG  76  -1.941  11.085  -8.114
  590    H    LEU  77           H        LEU  77   0.827   3.823 -10.997
  591    HA   LEU  77           HA       LEU  77   0.697   2.453  -9.202
  592   1HB   LEU  77          1HB       LEU  77   3.551   1.984 -10.020
  593   2HB   LEU  77          2HB       LEU  77   2.821   1.123  -8.679
  594    HG   LEU  77           HG       LEU  77   1.747   1.064 -11.506
  595   1HD1  LEU  77          1HD1      LEU  77   4.075  -0.134 -10.553
  596   2HD1  LEU  77          2HD1      LEU  77   3.194  -0.538 -12.026
  597   3HD1  LEU  77          3HD1      LEU  77   2.857  -1.410 -10.531
  598   1HD2  LEU  77          1HD2      LEU  77   0.921  -0.127  -8.920
  599   2HD2  LEU  77          2HD2      LEU  77   0.804  -1.150 -10.353
  600   3HD2  LEU  77          3HD2      LEU  77  -0.058   0.390 -10.296
  601    H    GLY  78           H        GLY  78   0.224   3.501  -7.403
  602   1HA   GLY  78          2HA       GLY  78   2.416   4.809  -5.916
  603   2HA   GLY  78          1HA       GLY  78   0.722   5.259  -5.795
  604    H    TYR  79           H        TYR  79   1.073   5.026  -3.463
  605    HA   TYR  79           HA       TYR  79   0.691   2.234  -2.633
  606   1HB   TYR  79          2HB       TYR  79   2.395   4.239  -1.128
  607   2HB   TYR  79          1HB       TYR  79   2.052   2.586  -0.627
  608    HD1  TYR  79           HD1      TYR  79   4.434   4.640  -2.097
  609    HD2  TYR  79           HD2      TYR  79   2.734   0.763  -2.517
  610    HE1  TYR  79           HE1      TYR  79   6.443   3.899  -3.294
  611    HE2  TYR  79           HE2      TYR  79   4.736   0.008  -3.727
  612    HH   TYR  79           HH       TYR  79   7.010   2.080  -4.993
  613    H    PHE  80           H        PHE  80  -0.431   1.954  -0.631
  614    HA   PHE  80           HA       PHE  80  -1.793   4.181   0.589
  615   1HB   PHE  80          2HB       PHE  80  -4.082   3.203   0.136
  616   2HB   PHE  80          1HB       PHE  80  -3.292   3.919  -1.265
  617    HD1  PHE  80           HD1      PHE  80  -4.278   0.725   0.325
  618    HD2  PHE  80           HD2      PHE  80  -2.740   2.613  -3.169
  619    HE1  PHE  80           HE1      PHE  80  -4.627  -1.349  -0.948
  620    HE2  PHE  80           HE2      PHE  80  -3.088   0.541  -4.443
  621    HZ   PHE  80           HZ       PHE  80  -4.032  -1.442  -3.334
  622    HA   PRO  81           HA       PRO  81  -1.596   1.323   4.010
  623   1HB   PRO  81          2HB       PRO  81  -3.855   2.597   5.336
  624   2HB   PRO  81          1HB       PRO  81  -2.143   2.656   5.759
  625   1HG   PRO  81          2HG       PRO  81  -3.496   4.807   4.818
  626   2HG   PRO  81          1HG       PRO  81  -1.767   4.552   4.520
  627   1HD   PRO  81          2HD       PRO  81  -4.100   4.020   2.712
  628   2HD   PRO  81          1HD       PRO  81  -2.527   4.757   2.334
  629    H    SER  82           H        SER  82  -2.419  -0.642   4.473
  630    HA   SER  82           HA       SER  82  -4.650  -1.659   3.066
  631   1HB   SER  82          2HB       SER  82  -4.243  -3.731   4.283
  632   2HB   SER  82          1HB       SER  82  -2.702  -3.021   3.806
  633    HG   SER  82           HG       SER  82  -3.155  -3.796   6.130
  634    H    SER  83           H        SER  83  -4.379  -0.037   6.074
  635    HA   SER  83           HA       SER  83  -6.612  -1.070   7.440
  636   1HB   SER  83          1HB       SER  83  -4.843   0.193   8.561
  637   2HB   SER  83          2HB       SER  83  -5.307   1.646   7.677
  638    HG   SER  83           HG       SER  83  -7.101   0.229   9.346
  639    H    ILE  84           H        ILE  84  -6.434   1.219   4.801
  640    HA   ILE  84           HA       ILE  84  -9.153   2.140   5.375
  641    HB   ILE  84           HB       ILE  84  -8.895   3.756   3.579
  642   1HG1  ILE  84          2HG1      ILE  84  -5.999   2.969   3.348
  643   2HG1  ILE  84          1HG1      ILE  84  -7.225   2.255   2.297
  644   1HG2  ILE  84          1HG2      ILE  84  -7.443   5.224   4.728
  645   2HG2  ILE  84          2HG2      ILE  84  -6.505   3.890   5.398
  646   3HG2  ILE  84          3HG2      ILE  84  -8.157   4.170   5.949
  647   1HD1  ILE  84          1HD1      ILE  84  -7.697   4.978   2.178
  648   2HD1  ILE  84          2HD1      ILE  84  -6.922   3.977   0.950
  649   3HD1  ILE  84          3HD1      ILE  84  -5.940   4.823   2.147
  650    H    VAL  85           H        VAL  85  -7.836  -0.427   3.747
  651    HA   VAL  85           HA       VAL  85 -10.057  -0.413   1.803
  652    HB   VAL  85           HB       VAL  85  -8.788  -1.929   0.373
  653   1HG1  VAL  85          1HG1      VAL  85  -7.124   0.487   1.055
  654   2HG1  VAL  85          2HG1      VAL  85  -8.610   0.532   0.107
  655   3HG1  VAL  85          3HG1      VAL  85  -7.208  -0.353  -0.495
  656   1HG2  VAL  85          1HG2      VAL  85  -7.297  -3.206   1.504
  657   2HG2  VAL  85          2HG2      VAL  85  -6.898  -1.922   2.647
  658   3HG2  VAL  85          3HG2      VAL  85  -6.192  -1.913   1.030
  659    H    ARG  86           H        ARG  86 -11.161  -2.339   1.379
  660    HA   ARG  86           HA       ARG  86 -10.935  -4.407   3.466
  661   1HB   ARG  86          2HB       ARG  86 -12.907  -2.926   3.802
  662   2HB   ARG  86          1HB       ARG  86 -13.500  -3.412   2.219
  663   1HG   ARG  86          2HG       ARG  86 -13.980  -5.569   2.919
  664   2HG   ARG  86          1HG       ARG  86 -12.896  -5.464   4.310
  665   1HD   ARG  86          2HD       ARG  86 -14.386  -3.841   5.344
  666   2HD   ARG  86          1HD       ARG  86 -15.481  -3.953   3.966
  667    HE   ARG  86           HE       ARG  86 -15.094  -6.524   5.005
  668   1HH1  ARG  86          1HH1      ARG  86 -16.615  -3.504   5.936
  669   2HH1  ARG  86          2HH1      ARG  86 -17.800  -4.275   6.933
  670   1HH2  ARG  86          1HH2      ARG  86 -16.657  -7.518   6.317
  671   2HH2  ARG  86          2HH2      ARG  86 -17.825  -6.546   7.149
  672    H    GLU  87           H        GLU  87 -10.167  -6.167   2.497
  673    HA   GLU  87           HA       GLU  87 -10.472  -6.639  -0.303
  674   1HB   GLU  87          1HB       GLU  87  -9.237  -8.219   1.935
  675   2HB   GLU  87          2HB       GLU  87  -9.370  -8.876   0.311
  676   1HG   GLU  87          2HG       GLU  87  -7.957  -6.317   1.023
  677   2HG   GLU  87          1HG       GLU  87  -7.173  -7.879   0.802
  678    H    ASP  88           H        ASP  88 -11.926  -7.754  -1.359
  679    HA   ASP  88           HA       ASP  88 -13.877  -9.337   0.170
  680   1HB   ASP  88          1HB       ASP  88 -14.178  -7.846  -2.442
  681   2HB   ASP  88          2HB       ASP  88 -15.386  -8.963  -1.819
  682    H    GLN  89           H        GLN  89 -11.848  -9.260  -2.735
  683    HA   GLN  89           HA       GLN  89 -11.878 -12.168  -2.764
  684   1HB   GLN  89          2HB       GLN  89 -12.319 -12.197  -5.265
  685   2HB   GLN  89          1HB       GLN  89 -13.703 -11.883  -4.213
  686   1HG   GLN  89          1HG       GLN  89 -14.065 -10.173  -5.580
  687   2HG   GLN  89          2HG       GLN  89 -12.776  -9.397  -4.661
  688   1HE2  GLN  89          1HE2      GLN  89 -10.737  -9.239  -5.533
  689   2HE2  GLN  89          2HE2      GLN  89 -10.418  -9.484  -7.208
  690    H    THR  90           H        THR  90 -10.446 -13.079  -4.513
  691    HA   THR  90           HA       THR  90  -8.081 -11.375  -4.958
  692    HB   THR  90           HB       THR  90  -8.092 -14.339  -4.328
  693    HG1  THR  90           HG1      THR  90  -7.436 -12.099  -2.734
  694   1HG2  THR  90          1HG2      THR  90  -5.914 -14.462  -4.743
  695   2HG2  THR  90          2HG2      THR  90  -5.593 -12.926  -3.936
  696   3HG2  THR  90          3HG2      THR  90  -6.110 -12.945  -5.622
  697    H    LEU  91           H        LEU  91  -7.385 -11.296  -7.020
  698    HA   LEU  91           HA       LEU  91  -8.861 -12.778  -9.041
  699   1HB   LEU  91          1HB       LEU  91  -6.660 -10.763  -9.489
  700   2HB   LEU  91          2HB       LEU  91  -7.885 -11.277 -10.630
  701    HG   LEU  91           HG       LEU  91  -8.483  -9.710  -8.116
  702   1HD1  LEU  91          1HD2      LEU  91  -8.509  -7.737  -9.368
  703   2HD1  LEU  91          2HD2      LEU  91  -8.449  -8.604 -10.903
  704   3HD1  LEU  91          3HD2      LEU  91  -7.027  -8.557  -9.861
  705   1HD2  LEU  91          1HD1      LEU  91 -10.573  -9.180  -9.515
  706   2HD2  LEU  91          2HD1      LEU  91 -10.469 -10.762  -8.717
  707   3HD2  LEU  91          3HD1      LEU  91 -10.128 -10.615 -10.451
  708    H    LYS  92           H        LYS  92  -5.551 -12.330  -7.931
  709    HA   LYS  92           HA       LYS  92  -4.845 -14.971  -8.935
  710   1HB   LYS  92          2HB       LYS  92  -3.682 -12.442  -9.966
  711   2HB   LYS  92          1HB       LYS  92  -2.545 -13.730  -9.598
  712   1HG   LYS  92          1HG       LYS  92  -4.141 -15.206 -11.014
  713   2HG   LYS  92          2HG       LYS  92  -4.729 -13.664 -11.636
  714   1HD   LYS  92          2HD       LYS  92  -3.009 -14.512 -13.108
  715   2HD   LYS  92          1HD       LYS  92  -2.405 -13.080 -12.289
  716   1HE   LYS  92          2HE       LYS  92  -1.190 -14.487 -10.709
  717   2HE   LYS  92          1HE       LYS  92  -1.816 -15.934 -11.501
  718   1HZ   LYS  92          1HZ       LYS  92   0.225 -15.722 -12.486
  719   2HZ   LYS  92          2HZ       LYS  92   0.215 -14.032 -12.441
  720   3HZ   LYS  92          3HZ       LYS  92  -0.722 -14.851 -13.586
  721    HA   PRO  93           HA       PRO  93  -2.967 -15.211  -4.882
  722   1HB   PRO  93          2HB       PRO  93  -1.209 -17.215  -6.195
  723   2HB   PRO  93          1HB       PRO  93  -2.179 -17.371  -4.740
  724   1HG   PRO  93          1HG       PRO  93  -2.996 -18.543  -6.932
  725   2HG   PRO  93          2HG       PRO  93  -4.171 -17.626  -5.961
  726   1HD   PRO  93          2HD       PRO  93  -2.689 -16.769  -8.426
  727   2HD   PRO  93          1HD       PRO  93  -4.424 -16.652  -8.083
  728    H    GLY  94           H        GLY  94  -1.487 -13.933  -3.996
  729   1HA   GLY  94          1HA       GLY  94   0.833 -13.084  -5.586
  730   2HA   GLY  94          2HA       GLY  94   0.221 -12.286  -4.140
  731    H    LYS  95           H        LYS  95   2.095 -14.936  -5.381
  732    HA   LYS  95           HA       LYS  95   3.291 -15.298  -2.729
  733   1HB   LYS  95          2HB       LYS  95   3.610 -17.745  -3.480
  734   2HB   LYS  95          1HB       LYS  95   2.027 -17.232  -2.910
  735   1HG   LYS  95          2HG       LYS  95   1.276 -16.970  -5.212
  736   2HG   LYS  95          1HG       LYS  95   2.862 -17.478  -5.791
  737   1HD   LYS  95          2HD       LYS  95   1.085 -19.189  -4.054
  738   2HD   LYS  95          1HD       LYS  95   1.083 -19.258  -5.815
  739   1HE   LYS  95          2HE       LYS  95   3.464 -19.799  -4.038
  740   2HE   LYS  95          1HE       LYS  95   2.472 -21.027  -4.820
  741   1HZ   LYS  95          1HZ       LYS  95   3.110 -19.743  -6.958
  742   2HZ   LYS  95          2HZ       LYS  95   4.224 -20.813  -6.270
  743   3HZ   LYS  95          3HZ       LYS  95   4.390 -19.148  -6.024
  744    H    VAL  96           H        VAL  96   4.068 -13.830  -5.302
  745    HA   VAL  96           HA       VAL  96   6.676 -15.133  -5.747
  746    HB   VAL  96           HB       VAL  96   5.365 -13.012  -7.470
  747   1HG1  VAL  96          1HG1      VAL  96   7.755 -14.770  -8.029
  748   2HG1  VAL  96          2HG1      VAL  96   7.827 -13.064  -7.589
  749   3HG1  VAL  96          3HG1      VAL  96   7.077 -13.551  -9.110
  750   1HG2  VAL  96          1HG2      VAL  96   4.439 -15.528  -7.268
  751   2HG2  VAL  96          2HG2      VAL  96   5.692 -15.767  -8.486
  752   3HG2  VAL  96          3HG2      VAL  96   4.402 -14.598  -8.767
  753    H    ASP  97           H        ASP  97   8.159 -14.332  -4.409
  754    HA   ASP  97           HA       ASP  97   8.005 -11.654  -3.359
  755   1HB   ASP  97          2HB       ASP  97   8.793 -13.636  -2.038
  756   2HB   ASP  97          1HB       ASP  97  10.236 -13.672  -3.042
  757    H    VAL  98           H        VAL  98   8.586  -9.979  -4.537
  758    HA   VAL  98           HA       VAL  98  11.031 -10.144  -6.180
  759    HB   VAL  98           HB       VAL  98   8.619  -8.414  -6.797
  760   1HG1  VAL  98          1HG1      VAL  98  11.329  -8.505  -7.813
  761   2HG1  VAL  98          2HG1      VAL  98  10.061  -7.309  -8.086
  762   3HG1  VAL  98          3HG1      VAL  98  10.142  -8.755  -9.094
  763   1HG2  VAL  98          1HG2      VAL  98   8.825 -11.162  -7.181
  764   2HG2  VAL  98          2HG2      VAL  98   9.185 -10.457  -8.758
  765   3HG2  VAL  98          3HG2      VAL  98   7.670 -10.067  -7.942
  766    H    LYS  99           H        LYS  99  12.541  -8.612  -5.805
  767    HA   LYS  99           HA       LYS  99  12.188  -6.808  -3.578
  768   1HB   LYS  99          1HB       LYS  99  14.524  -7.184  -5.476
  769   2HB   LYS  99          2HB       LYS  99  14.551  -6.158  -4.055
  770   1HG   LYS  99          2HG       LYS  99  15.596  -8.035  -3.279
  771   2HG   LYS  99          1HG       LYS  99  13.933  -8.352  -2.797
  772   1HD   LYS  99          2HD       LYS  99  13.622  -9.781  -4.746
  773   2HD   LYS  99          1HD       LYS  99  15.262  -9.422  -5.290
  774   1HE   LYS  99          2HE       LYS  99  14.527 -10.803  -2.709
  775   2HE   LYS  99          1HE       LYS  99  15.103 -11.606  -4.169
  776   1HZ   LYS  99          1HZ       LYS  99  16.580  -9.914  -2.276
  777   2HZ   LYS  99          2HZ       LYS  99  17.086  -9.969  -3.888
  778   3HZ   LYS  99          3HZ       LYS  99  17.027 -11.390  -2.972
  779    H    THR 100           H        THR 100  12.624  -4.472  -3.731
  780    HA   THR 100           HA       THR 100  11.451  -3.332  -6.154
  781    HB   THR 100           HB       THR 100  11.314  -1.229  -4.841
  782    HG1  THR 100           HG1      THR 100  11.922  -1.246  -2.688
  783   1HG2  THR 100          1HG2      THR 100  10.224  -3.247  -2.963
  784   2HG2  THR 100          2HG2      THR 100   9.612  -3.237  -4.618
  785   3HG2  THR 100          3HG2      THR 100   9.486  -1.787  -3.619
  786    H    ASP 101           H        ASP 101  12.418  -1.487  -7.217
  787    HA   ASP 101           HA       ASP 101  15.351  -1.581  -7.102
  788   1HB   ASP 101          1HB       ASP 101  15.281  -0.672  -9.428
  789   2HB   ASP 101          2HB       ASP 101  14.531  -2.254  -9.260
  790    H    LYS 102           H        LYS 102  16.170   0.633  -8.292
  791    HA   LYS 102           HA       LYS 102  15.932   2.631  -6.321
  792   1HB   LYS 102          1HB       LYS 102  17.964   2.223  -7.642
  793   2HB   LYS 102          2HB       LYS 102  17.117   2.773  -9.074
  794   1HG   LYS 102          1HG       LYS 102  16.797   4.970  -7.904
  795   2HG   LYS 102          2HG       LYS 102  17.957   4.393  -6.709
  796   1HD   LYS 102          2HD       LYS 102  19.678   4.816  -8.061
  797   2HD   LYS 102          1HD       LYS 102  18.905   3.980  -9.411
  798   1HE   LYS 102          2HE       LYS 102  17.584   5.964  -9.896
  799   2HE   LYS 102          1HE       LYS 102  18.333   6.808  -8.541
  800   1HZ   LYS 102          1HZ       LYS 102  20.297   5.733 -10.296
  801   2HZ   LYS 102          2HZ       LYS 102  20.073   7.332  -9.792
  802   3HZ   LYS 102          3HZ       LYS 102  19.232   6.745 -11.137
  803    H    TRP 103           H        TRP 103  14.492   2.225  -9.503
  804    HA   TRP 103           HA       TRP 103  13.340   4.884  -9.465
  805   1HB   TRP 103          2HB       TRP 103  12.963   2.683 -11.509
  806   2HB   TRP 103          1HB       TRP 103  12.549   4.381 -11.709
  807    HD1  TRP 103           HD1      TRP 103  15.569   2.030 -11.617
  808    HE1  TRP 103           HE1      TRP 103  17.608   3.249 -12.604
  809    HE3  TRP 103           HE3      TRP 103  13.557   6.707 -12.131
  810    HZ2  TRP 103           HZ2      TRP 103  18.278   5.839 -13.478
  811    HZ3  TRP 103           HZ3      TRP 103  14.970   8.500 -13.052
  812    HH2  TRP 103           HH2      TRP 103  17.282   8.073 -13.714
  813    H    ASP 104           H        ASP 104  12.406   3.519  -7.316
  814    HA   ASP 104           HA       ASP 104   9.578   3.066  -7.994
  815   1HB   ASP 104          2HB       ASP 104  11.335   1.564  -6.063
  816   2HB   ASP 104          1HB       ASP 104   9.589   1.586  -5.867
  817    H    PHE 105           H        PHE 105  11.945   4.460  -5.853
  818    HA   PHE 105           HA       PHE 105   9.805   5.949  -4.469
  819   1HB   PHE 105          2HB       PHE 105  12.478   5.080  -3.323
  820   2HB   PHE 105          1HB       PHE 105  11.295   6.076  -2.489
  821    HD1  PHE 105           HD1      PHE 105  11.950   2.684  -3.807
  822    HD2  PHE 105           HD2      PHE 105   9.452   5.117  -1.365
  823    HE1  PHE 105           HE1      PHE 105  10.894   0.665  -2.883
  824    HE2  PHE 105           HE2      PHE 105   8.390   3.099  -0.438
  825    HZ   PHE 105           HZ       PHE 105   9.112   0.871  -1.196
  826    H    TYR 106           H        TYR 106  10.986   6.747  -6.896
  827    HA   TYR 106           HA       TYR 106  12.307   9.242  -6.076
  828   1HB   TYR 106          2HB       TYR 106  13.947   7.467  -6.897
  829   2HB   TYR 106          1HB       TYR 106  13.188   7.613  -8.471
  830    HD1  TYR 106           HD1      TYR 106  14.848   8.471  -9.828
  831    HD2  TYR 106           HD2      TYR 106  14.148  10.334  -6.057
  832    HE1  TYR 106           HE1      TYR 106  16.433  10.253 -10.416
  833    HE2  TYR 106           HE2      TYR 106  15.726  12.118  -6.645
  834    HH   TYR 106           HH       TYR 106  17.626  12.483  -8.137
  835    H    CYS 107           H        CYS 107  11.208  10.955  -6.879
  836    HA   CYS 107           HA       CYS 107   9.593  10.545  -9.314
  837   1HB   CYS 107          1HB       CYS 107   8.929  12.372  -7.008
  838   2HB   CYS 107          2HB       CYS 107   7.943  12.071  -8.429
  839    H    GLN 108           HN       GLN 108  12.297  11.628  -9.168
  840    HA   GLN 108           HA       GLN 108  11.779  14.385 -10.026
  841   1HB   GLN 108          1HB       GLN 108  14.301  13.096  -9.002
  842   2HB   GLN 108          2HB       GLN 108  14.281  14.674  -9.772
  843   1HG   GLN 108          2HG       GLN 108  12.640  15.406  -8.037
  844   2HG   GLN 108          1HG       GLN 108  12.915  13.869  -7.219
  845   1HE2  GLN 108          1HE2      GLN 108  13.750  17.021  -7.226
  846   2HE2  GLN 108          2HE2      GLN 108  15.305  16.924  -6.482
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1   5.386  13.906  -5.673
    2   2H    MET   1          2HT       MET   1   6.553  14.989  -5.102
    3   3H    MET   1          3HT       MET   1   6.826  13.323  -5.002
    4    HA   MET   1           HA       MET   1   6.895  13.140  -7.392
    5   1HB   MET   1          2HB       MET   1   5.288  15.010  -7.753
    6   2HB   MET   1          1HB       MET   1   6.555  16.149  -7.323
    7   1HG   MET   1          2HG       MET   1   7.873  15.412  -9.245
    8   2HG   MET   1          1HG       MET   1   6.605  14.267  -9.673
    9   1HE   MET   1          1HE       MET   1   3.663  16.568  -9.637
   10   2HE   MET   1          2HE       MET   1   4.258  14.913  -9.775
   11   3HE   MET   1          3HE       MET   1   3.938  15.858 -11.229
   12    H    GLY   2           H        GLY   2   8.951  12.500  -7.388
   13   1HA   GLY   2          2HA       GLY   2  11.179  13.690  -8.034
   14   2HA   GLY   2          1HA       GLY   2  11.036  14.319  -6.400
   15    HA   PRO   3           HA       PRO   3  13.118  10.122  -6.268
   16   1HB   PRO   3          2HB       PRO   3  15.704  11.035  -5.806
   17   2HB   PRO   3          1HB       PRO   3  15.075  10.454  -7.340
   18   1HG   PRO   3          1HG       PRO   3  15.854  13.100  -6.636
   19   2HG   PRO   3          2HG       PRO   3  15.236  12.525  -8.182
   20   1HD   PRO   3          1HD       PRO   3  13.870  13.995  -6.067
   21   2HD   PRO   3          2HD       PRO   3  13.396  13.759  -7.755
   22    H    MET   4           H        MET   4  13.021   9.148  -4.364
   23    HA   MET   4           HA       MET   4  14.062  10.442  -1.968
   24   1HB   MET   4          2HB       MET   4  11.968   9.978  -0.714
   25   2HB   MET   4          1HB       MET   4  11.752  11.165  -1.990
   26   1HG   MET   4          1HG       MET   4  10.857   9.311  -3.427
   27   2HG   MET   4          2HG       MET   4  10.879   8.289  -1.991
   28   1HE   MET   4          1HE       MET   4   8.400  10.314   0.356
   29   2HE   MET   4          2HE       MET   4  10.158  10.187   0.287
   30   3HE   MET   4          3HE       MET   4   9.164   8.733   0.182
   31    HA   PRO   5           HA       PRO   5  15.518   6.396  -0.843
   32   1HB   PRO   5          1HB       PRO   5  14.811   6.191   1.817
   33   2HB   PRO   5          2HB       PRO   5  16.233   7.041   1.214
   34   1HG   PRO   5          2HG       PRO   5  13.561   8.130   1.983
   35   2HG   PRO   5          1HG       PRO   5  15.177   8.775   2.328
   36   1HD   PRO   5          1HD       PRO   5  13.678   9.809   0.392
   37   2HD   PRO   5          2HD       PRO   5  15.429   9.626   0.180
   38    H    LYS   6           H        LYS   6  14.914   4.266   0.039
   39    HA   LYS   6           HA       LYS   6  12.391   3.439  -0.972
   40   1HB   LYS   6          1HB       LYS   6  14.554   1.953   0.519
   41   2HB   LYS   6          2HB       LYS   6  13.090   1.182  -0.064
   42   1HG   LYS   6          1HG       LYS   6  14.572   0.691  -1.744
   43   2HG   LYS   6          2HG       LYS   6  13.807   2.150  -2.368
   44   1HD   LYS   6          1HD       LYS   6  16.137   2.371  -2.751
   45   2HD   LYS   6          2HD       LYS   6  15.729   3.453  -1.422
   46   1HE   LYS   6          1HE       LYS   6  16.549   1.791   0.181
   47   2HE   LYS   6          2HE       LYS   6  16.964   0.713  -1.152
   48   1HZ   LYS   6          1HZ       LYS   6  18.728   2.316  -0.077
   49   2HZ   LYS   6          2HZ       LYS   6  18.080   3.416  -1.188
   50   3HZ   LYS   6          3HZ       LYS   6  18.752   1.962  -1.731
   51    H    LEU   7           H        LEU   7  10.771   2.283   0.130
   52    HA   LEU   7           HA       LEU   7  10.379   3.129   2.921
   53   1HB   LEU   7          1HB       LEU   7   8.742   3.982   1.240
   54   2HB   LEU   7          2HB       LEU   7   8.317   2.329   0.853
   55    HG   LEU   7           HG       LEU   7   7.569   2.073   3.262
   56   1HD1  LEU   7          1HD1      LEU   7   7.007   4.851   3.679
   57   2HD1  LEU   7          2HD1      LEU   7   8.747   4.613   3.508
   58   3HD1  LEU   7          3HD1      LEU   7   7.850   3.712   4.731
   59   1HD2  LEU   7          1HD2      LEU   7   5.424   3.116   2.859
   60   2HD2  LEU   7          2HD2      LEU   7   6.027   2.376   1.375
   61   3HD2  LEU   7          3HD2      LEU   7   6.125   4.124   1.593
   62    H    ALA   8           H        ALA   8  10.783   0.506   0.766
   63    HA   ALA   8           HA       ALA   8  10.736  -1.411   2.937
   64   1HB   ALA   8          1HB       ALA   8   9.280  -2.757   0.965
   65   2HB   ALA   8          2HB       ALA   8   8.510  -1.176   1.118
   66   3HB   ALA   8          3HB       ALA   8   8.695  -2.208   2.536
   67    H    ASP   9           H        ASP   9  11.368  -3.649   2.050
   68    HA   ASP   9           HA       ASP   9  13.525  -3.244   0.107
   69   1HB   ASP   9          1HB       ASP   9  13.967  -4.210   2.423
   70   2HB   ASP   9          2HB       ASP   9  13.114  -5.652   1.887
   71    H    ARG  10           H        ARG  10  11.204  -5.839   0.935
   72    HA   ARG  10           HA       ARG  10  10.884  -6.356  -1.949
   73   1HB   ARG  10          2HB       ARG  10  11.046  -8.387   0.276
   74   2HB   ARG  10          1HB       ARG  10  10.560  -8.764  -1.368
   75   1HG   ARG  10          1HG       ARG  10  12.757  -8.001  -2.168
   76   2HG   ARG  10          2HG       ARG  10  13.239  -7.703  -0.496
   77   1HD   ARG  10          1HD       ARG  10  12.851 -10.076   0.013
   78   2HD   ARG  10          2HD       ARG  10  12.436 -10.357  -1.677
   79    HE   ARG  10           HE       ARG  10  14.966  -9.173  -1.580
   80   1HH1  ARG  10          1HH1      ARG  10  13.446 -12.205  -0.688
   81   2HH1  ARG  10          2HH1      ARG  10  14.898 -13.124  -0.891
   82   1HH2  ARG  10          1HH2      ARG  10  16.861 -10.396  -1.840
   83   2HH2  ARG  10          2HH2      ARG  10  16.831 -12.102  -1.543
   84    H    LYS  11           H        LYS  11   8.863  -7.517  -2.482
   85    HA   LYS  11           HA       LYS  11   6.641  -7.061  -0.635
   86   1HB   LYS  11          2HB       LYS  11   5.363  -5.936  -2.447
   87   2HB   LYS  11          1HB       LYS  11   6.780  -5.023  -1.942
   88   1HG   LYS  11          2HG       LYS  11   7.954  -6.245  -3.905
   89   2HG   LYS  11          1HG       LYS  11   6.310  -6.532  -4.476
   90   1HD   LYS  11          2HD       LYS  11   5.872  -4.160  -4.508
   91   2HD   LYS  11          1HD       LYS  11   7.466  -3.835  -3.821
   92   1HE   LYS  11          2HE       LYS  11   8.537  -4.748  -5.789
   93   2HE   LYS  11          1HE       LYS  11   6.970  -5.184  -6.472
   94   1HZ   LYS  11          1HZ       LYS  11   6.401  -2.909  -6.711
   95   2HZ   LYS  11          2HZ       LYS  11   7.956  -3.089  -7.353
   96   3HZ   LYS  11          3HZ       LYS  11   7.747  -2.396  -5.825
   97    H    LEU  12           H        LEU  12   4.570  -8.006  -1.504
   98    HA   LEU  12           HA       LEU  12   5.122 -10.557  -2.840
   99   1HB   LEU  12          2HB       LEU  12   2.802  -9.610  -1.158
  100   2HB   LEU  12          1HB       LEU  12   2.714 -11.068  -2.115
  101    HG   LEU  12           HG       LEU  12   3.144 -11.713   0.130
  102   1HD1  LEU  12          1HD2      LEU  12   4.634 -12.630  -1.862
  103   2HD1  LEU  12          2HD2      LEU  12   4.848 -13.173  -0.199
  104   3HD1  LEU  12          3HD2      LEU  12   5.923 -11.948  -0.870
  105   1HD2  LEU  12          1HD1      LEU  12   4.799 -10.853   1.546
  106   2HD2  LEU  12          2HD1      LEU  12   4.042  -9.448   0.794
  107   3HD2  LEU  12          3HD1      LEU  12   5.613 -10.015   0.225
  108    H    CYS  13           H        CYS  13   4.444 -10.942  -4.841
  109    HA   CYS  13           HA       CYS  13   2.371  -9.233  -6.040
  110   1HB   CYS  13          2HB       CYS  13   5.000 -10.024  -7.313
  111   2HB   CYS  13          1HB       CYS  13   3.671  -9.255  -8.168
  112    H    ALA  14           H        ALA  14   1.674 -10.212  -8.227
  113    HA   ALA  14           HA       ALA  14   0.934 -12.965  -7.753
  114   1HB   ALA  14          1HB       ALA  14  -0.839 -11.748  -8.624
  115   2HB   ALA  14          2HB       ALA  14  -0.228 -12.600 -10.042
  116   3HB   ALA  14          3HB       ALA  14   0.181 -10.903  -9.789
  117    H    ASP  15           H        ASP  15   3.075 -11.155  -9.845
  118    HA   ASP  15           HA       ASP  15   4.332 -13.652 -10.706
  119   1HB   ASP  15          2HB       ASP  15   3.379 -11.462 -12.555
  120   2HB   ASP  15          1HB       ASP  15   4.603 -12.639 -13.025
  121    H    GLN  16           H        GLN  16   6.431 -13.074 -11.965
  122    HA   GLN  16           HA       GLN  16   8.133 -11.680 -10.196
  123   1HB   GLN  16          1HB       GLN  16   8.734 -13.617 -11.707
  124   2HB   GLN  16          2HB       GLN  16   8.752 -12.476 -13.044
  125   1HG   GLN  16          2HG       GLN  16  10.541 -11.222 -11.958
  126   2HG   GLN  16          1HG       GLN  16  10.520 -12.357 -10.609
  127   1HE2  GLN  16          1HE2      GLN  16  12.112 -11.561 -13.336
  128   2HE2  GLN  16          2HE2      GLN  16  12.815 -13.088 -13.736
  129    H    GLU  17           H        GLU  17   6.196 -10.572 -12.791
  130    HA   GLU  17           HA       GLU  17   7.818  -8.221 -13.338
  131   1HB   GLU  17          2HB       GLU  17   5.077  -8.956 -14.381
  132   2HB   GLU  17          1HB       GLU  17   6.093  -7.652 -14.974
  133   1HG   GLU  17          1HG       GLU  17   7.765  -9.315 -15.675
  134   2HG   GLU  17          2HG       GLU  17   6.674 -10.594 -15.146
  135    H    CYS  18           H        CYS  18   5.208  -9.120 -11.269
  136    HA   CYS  18           HA       CYS  18   3.854  -7.995  -9.829
  137   1HB   CYS  18          1HB       CYS  18   6.047  -5.924 -10.090
  138   2HB   CYS  18          2HB       CYS  18   4.685  -5.737  -8.992
  139    H    SER  19           H        SER  19   3.534  -7.793 -12.719
  140    HA   SER  19           HA       SER  19   2.302  -5.193 -13.137
  141   1HB   SER  19          2HB       SER  19   3.719  -5.876 -14.910
  142   2HB   SER  19          1HB       SER  19   2.985  -7.470 -14.968
  143    HG   SER  19           HG       SER  19   2.157  -6.229 -16.640
  144    H    HIS  20           H        HIS  20   1.421  -8.301 -12.166
  145    HA   HIS  20           HA       HIS  20  -1.318  -8.092 -13.160
  146   1HB   HIS  20          2HB       HIS  20   0.363 -10.275 -12.053
  147   2HB   HIS  20          1HB       HIS  20  -1.361 -10.367 -11.739
  148    HD1  HIS  20           HD1      HIS  20  -0.947 -12.604 -13.204
  149    HD2  HIS  20           HD2      HIS  20  -0.841  -8.998 -15.259
  150    HE1  HIS  20           HE1      HIS  20  -1.362 -13.197 -15.596
  151    HE2  HIS  20           HE2      HIS  20  -1.160 -11.014 -16.852
  152    HA   PRO  21           HA       PRO  21  -2.766  -6.824  -9.123
  153   1HB   PRO  21          1HB       PRO  21  -5.450  -7.092  -9.576
  154   2HB   PRO  21          2HB       PRO  21  -4.472  -5.778 -10.228
  155   1HG   PRO  21          1HG       PRO  21  -5.735  -7.966 -11.634
  156   2HG   PRO  21          2HG       PRO  21  -4.940  -6.531 -12.295
  157   1HD   PRO  21          1HD       PRO  21  -3.905  -9.246 -11.989
  158   2HD   PRO  21          2HD       PRO  21  -3.266  -7.899 -12.953
  159    H    ILE  22           H        ILE  22  -2.720  -7.957  -7.271
  160    HA   ILE  22           HA       ILE  22  -3.209 -10.743  -7.165
  161    HB   ILE  22           HB       ILE  22  -3.033  -8.836  -4.818
  162   1HG1  ILE  22          1HG1      ILE  22  -0.810 -10.501  -6.026
  163   2HG1  ILE  22          2HG1      ILE  22  -1.068  -8.804  -6.428
  164   1HG2  ILE  22          1HG2      ILE  22  -3.032 -10.620  -3.433
  165   2HG2  ILE  22          2HG2      ILE  22  -2.103 -11.618  -4.551
  166   3HG2  ILE  22          3HG2      ILE  22  -3.843 -11.435  -4.772
  167   1HD1  ILE  22          1HD1      ILE  22  -0.856  -8.360  -3.926
  168   2HD1  ILE  22          2HD1      ILE  22   0.609  -8.789  -4.810
  169   3HD1  ILE  22          3HD1      ILE  22  -0.208  -9.997  -3.819
  170    H    SER  23           H        SER  23  -4.972  -8.110  -5.477
  171    HA   SER  23           HA       SER  23  -7.457  -9.578  -5.967
  172   1HB   SER  23          2HB       SER  23  -6.689 -10.315  -3.757
  173   2HB   SER  23          1HB       SER  23  -6.584  -8.638  -3.223
  174    HG   SER  23           HG       SER  23  -8.572  -9.906  -2.713
  175    H    MET  24           H        MET  24  -9.276  -8.359  -6.074
  176    HA   MET  24           HA       MET  24  -8.919  -5.489  -6.394
  177   1HB   MET  24          1HB       MET  24 -10.110  -6.866  -8.106
  178   2HB   MET  24          2HB       MET  24 -11.347  -7.217  -6.909
  179   1HG   MET  24          2HG       MET  24 -10.734  -4.373  -7.441
  180   2HG   MET  24          1HG       MET  24 -11.581  -5.277  -8.688
  181   1HE   MET  24          1HE       MET  24 -13.449  -6.719  -8.300
  182   2HE   MET  24          2HE       MET  24 -14.902  -6.005  -7.600
  183   3HE   MET  24          3HE       MET  24 -13.944  -7.151  -6.663
  184    H    ALA  25           H        ALA  25  -9.190  -4.238  -4.656
  185    HA   ALA  25           HA       ALA  25 -11.073  -5.128  -2.571
  186   1HB   ALA  25          1HB       ALA  25  -8.873  -5.108  -1.694
  187   2HB   ALA  25          2HB       ALA  25  -9.692  -3.689  -1.043
  188   3HB   ALA  25          3HB       ALA  25  -8.544  -3.513  -2.369
  189    H    VAL  26           H        VAL  26 -12.445  -3.686  -1.592
  190    HA   VAL  26           HA       VAL  26 -13.057  -1.275  -3.166
  191    HB   VAL  26           HB       VAL  26 -14.725  -2.583  -0.994
  192   1HG1  VAL  26          1HG2      VAL  26 -15.227  -0.338  -2.917
  193   2HG1  VAL  26          2HG2      VAL  26 -15.512  -0.397  -1.178
  194   3HG1  VAL  26          3HG2      VAL  26 -16.561  -1.297  -2.274
  195   1HG2  VAL  26          1HG1      VAL  26 -16.108  -3.409  -2.915
  196   2HG2  VAL  26          2HG1      VAL  26 -14.519  -4.163  -2.771
  197   3HG2  VAL  26          3HG1      VAL  26 -14.799  -2.916  -3.988
  198    H    ALA  27           H        ALA  27 -13.014   0.776  -2.299
  199    HA   ALA  27           HA       ALA  27 -11.490   1.156   0.131
  200   1HB   ALA  27          1HB       ALA  27 -10.973   3.183  -0.690
  201   2HB   ALA  27          2HB       ALA  27 -12.636   3.529  -1.164
  202   3HB   ALA  27          3HB       ALA  27 -11.615   2.536  -2.202
  203    H    LEU  28           H        LEU  28 -12.194   1.944   2.061
  204    HA   LEU  28           HA       LEU  28 -15.097   2.083   2.424
  205   1HB   LEU  28          2HB       LEU  28 -12.867   1.731   4.422
  206   2HB   LEU  28          1HB       LEU  28 -14.548   1.920   4.869
  207    HG   LEU  28           HG       LEU  28 -14.923  -0.168   3.347
  208   1HD1  LEU  28          1HD1      LEU  28 -12.345  -1.210   4.156
  209   2HD1  LEU  28          2HD1      LEU  28 -12.192   0.110   2.995
  210   3HD1  LEU  28          3HD1      LEU  28 -13.166  -1.306   2.598
  211   1HD2  LEU  28          1HD2      LEU  28 -14.479  -1.635   5.279
  212   2HD2  LEU  28          2HD2      LEU  28 -15.331  -0.155   5.724
  213   3HD2  LEU  28          3HD2      LEU  28 -13.605  -0.313   6.053
  214    H    GLN  29           H        GLN  29 -12.166   3.997   3.054
  215    HA   GLN  29           HA       GLN  29 -13.917   6.333   3.378
  216   1HB   GLN  29          1HB       GLN  29 -12.567   7.163   5.275
  217   2HB   GLN  29          2HB       GLN  29 -13.410   5.668   5.648
  218   1HG   GLN  29          2HG       GLN  29 -11.418   4.402   5.528
  219   2HG   GLN  29          1HG       GLN  29 -10.530   5.733   4.795
  220   1HE2  GLN  29          1HE2      GLN  29 -12.221   7.366   6.974
  221   2HE2  GLN  29          2HE2      GLN  29 -11.190   7.247   8.346
  222    H    ASP  30           H        ASP  30 -12.686   8.390   3.419
  223    HA   ASP  30           HA       ASP  30 -11.147   8.607   1.037
  224   1HB   ASP  30          2HB       ASP  30 -11.765  10.657   3.173
  225   2HB   ASP  30          1HB       ASP  30 -11.046  11.019   1.608
  226    H    TYR  31           H        TYR  31  -9.068   9.485   0.772
  227    HA   TYR  31           HA       TYR  31  -7.250   9.646   3.017
  228   1HB   TYR  31          2HB       TYR  31  -7.271   7.205   2.307
  229   2HB   TYR  31          1HB       TYR  31  -6.642   7.729   0.752
  230    HD1  TYR  31           HD1      TYR  31  -4.349   7.862   0.424
  231    HD2  TYR  31           HD2      TYR  31  -5.850   7.907   4.408
  232    HE1  TYR  31           HE1      TYR  31  -2.047   7.782   1.288
  233    HE2  TYR  31           HE2      TYR  31  -3.554   7.822   5.279
  234    HH   TYR  31           HH       TYR  31  -1.229   8.491   4.413
  235    H    MET  32           H        MET  32  -5.918  11.332   2.664
  236    HA   MET  32           HA       MET  32  -5.640  12.336  -0.079
  237   1HB   MET  32          2HB       MET  32  -5.177  13.686   2.586
  238   2HB   MET  32          1HB       MET  32  -4.822  14.430   1.034
  239   1HG   MET  32          2HG       MET  32  -6.894  15.284   1.646
  240   2HG   MET  32          1HG       MET  32  -7.264  14.042   0.461
  241   1HE   MET  32          1HE       MET  32 -10.164  13.588   1.641
  242   2HE   MET  32          2HE       MET  32  -9.353  15.153   1.687
  243   3HE   MET  32          3HE       MET  32 -10.078  14.492   3.153
  244    H    ALA  33           H        ALA  33  -3.729  12.310  -1.115
  245    HA   ALA  33           HA       ALA  33  -1.415  11.250   0.359
  246   1HB   ALA  33          1HB       ALA  33  -2.510  10.799  -2.284
  247   2HB   ALA  33          2HB       ALA  33  -1.403   9.813  -1.329
  248   3HB   ALA  33          3HB       ALA  33  -0.780  11.136  -2.315
  249    HA   PRO  34           HA       PRO  34   0.455  15.306  -0.256
  250   1HB   PRO  34          2HB       PRO  34   2.809  14.327   1.097
  251   2HB   PRO  34          1HB       PRO  34   1.609  15.486   1.672
  252   1HG   PRO  34          2HG       PRO  34   1.919  13.012   2.732
  253   2HG   PRO  34          1HG       PRO  34   0.370  13.871   2.724
  254   1HD   PRO  34          2HD       PRO  34   1.357  11.719   0.879
  255   2HD   PRO  34          1HD       PRO  34  -0.237  11.903   1.643
  256    H    ASP  35           H        ASP  35   2.828  12.645  -0.313
  257    HA   ASP  35           HA       ASP  35   4.164  13.825  -2.621
  258   1HB   ASP  35          2HB       ASP  35   5.343  12.924  -0.522
  259   2HB   ASP  35          1HB       ASP  35   4.967  11.322  -1.138
  260    H    CYS  36           H        CYS  36   4.900  12.308  -4.369
  261    HA   CYS  36           HA       CYS  36   2.699  11.077  -5.642
  262   1HB   CYS  36          2HB       CYS  36   4.559  12.067  -6.888
  263   2HB   CYS  36          1HB       CYS  36   5.663  10.867  -6.229
  264    H    ARG  37           H        ARG  37   5.049   9.884  -3.408
  265    HA   ARG  37           HA       ARG  37   5.090   7.164  -4.042
  266   1HB   ARG  37          1HB       ARG  37   6.548   8.531  -2.400
  267   2HB   ARG  37          2HB       ARG  37   5.284   8.190  -1.225
  268   1HG   ARG  37          1HG       ARG  37   5.615   5.809  -1.514
  269   2HG   ARG  37          2HG       ARG  37   6.817   6.121  -2.757
  270   1HD   ARG  37          2HD       ARG  37   7.936   5.589  -0.701
  271   2HD   ARG  37          1HD       ARG  37   8.208   7.286  -1.096
  272    HE   ARG  37           HE       ARG  37   5.976   7.147   0.546
  273   1HH1  ARG  37          1HH1      ARG  37   9.413   6.500   0.776
  274   2HH1  ARG  37          2HH1      ARG  37   9.489   6.864   2.466
  275   1HH2  ARG  37          1HH2      ARG  37   6.098   7.624   2.775
  276   2HH2  ARG  37          2HH2      ARG  37   7.615   7.500   3.596
  277    H    PHE  38           H        PHE  38   2.630   9.071  -2.477
  278    HA   PHE  38           HA       PHE  38   1.199   6.607  -1.717
  279   1HB   PHE  38          2HB       PHE  38   0.898   9.430  -0.682
  280   2HB   PHE  38          1HB       PHE  38  -0.211   8.126  -0.284
  281    HD1  PHE  38           HD1      PHE  38   0.292   6.571   1.406
  282    HD2  PHE  38           HD2      PHE  38   3.296   9.275   0.066
  283    HE1  PHE  38           HE1      PHE  38   1.711   5.936   3.312
  284    HE2  PHE  38           HE2      PHE  38   4.720   8.637   1.964
  285    HZ   PHE  38           HZ       PHE  38   3.928   6.967   3.591
  286    H    LEU  39           H        LEU  39  -1.233   6.776  -1.880
  287    HA   LEU  39           HA       LEU  39  -1.987   8.109  -4.409
  288   1HB   LEU  39          1HB       LEU  39  -2.771   5.457  -3.241
  289   2HB   LEU  39          2HB       LEU  39  -3.782   6.246  -4.432
  290    HG   LEU  39           HG       LEU  39  -0.884   5.656  -4.983
  291   1HD1  LEU  39          1HD1      LEU  39  -1.438   3.483  -4.769
  292   2HD1  LEU  39          2HD1      LEU  39  -2.227   3.727  -6.327
  293   3HD1  LEU  39          3HD1      LEU  39  -3.169   3.810  -4.839
  294   1HD2  LEU  39          1HD2      LEU  39  -2.014   7.240  -6.463
  295   2HD2  LEU  39          2HD2      LEU  39  -3.294   6.059  -6.752
  296   3HD2  LEU  39          3HD2      LEU  39  -1.650   5.733  -7.305
  297    H    THR  40           H        THR  40  -3.796   9.355  -4.481
  298    HA   THR  40           HA       THR  40  -5.185   9.878  -1.963
  299    HB   THR  40           HB       THR  40  -5.492  11.251  -4.655
  300    HG1  THR  40           HG1      THR  40  -3.427  11.580  -3.796
  301   1HG2  THR  40          1HG2      THR  40  -6.800  12.854  -3.704
  302   2HG2  THR  40          2HG2      THR  40  -6.151  12.587  -2.086
  303   3HG2  THR  40          3HG2      THR  40  -7.318  11.453  -2.767
  304    H    ILE  41           H        ILE  41  -6.748   8.483  -1.518
  305    HA   ILE  41           HA       ILE  41  -8.392   7.418  -3.714
  306    HB   ILE  41           HB       ILE  41  -7.985   6.279  -0.936
  307   1HG1  ILE  41          1HG1      ILE  41  -6.757   5.414  -3.572
  308   2HG1  ILE  41          2HG1      ILE  41  -5.913   6.317  -2.326
  309   1HG2  ILE  41          1HG2      ILE  41  -9.930   5.722  -2.915
  310   2HG2  ILE  41          2HG2      ILE  41  -9.621   4.844  -1.416
  311   3HG2  ILE  41          3HG2      ILE  41  -8.804   4.364  -2.903
  312   1HD1  ILE  41          1HD1      ILE  41  -6.137   4.447  -0.795
  313   2HD1  ILE  41          2HD1      ILE  41  -5.329   3.960  -2.286
  314   3HD1  ILE  41          3HD1      ILE  41  -7.021   3.538  -2.022
  315    H    HIS  42           H        HIS  42 -10.574   7.539  -3.715
  316    HA   HIS  42           HA       HIS  42 -11.847   9.105  -1.571
  317   1HB   HIS  42          2HB       HIS  42 -12.698   8.628  -4.441
  318   2HB   HIS  42          1HB       HIS  42 -13.723   9.404  -3.245
  319    HD1  HIS  42           HD1      HIS  42 -13.333  11.134  -5.505
  320    HD2  HIS  42           HD2      HIS  42 -10.432  10.946  -2.532
  321    HE1  HIS  42           HE1      HIS  42 -12.017  13.267  -5.709
  322    HE2  HIS  42           HE2      HIS  42 -10.264  13.129  -3.907
  323    H    ARG  43           H        ARG  43 -13.505   8.214  -0.401
  324    HA   ARG  43           HA       ARG  43 -13.658   5.454  -0.193
  325   1HB   ARG  43          2HB       ARG  43 -15.384   5.855   1.432
  326   2HB   ARG  43          1HB       ARG  43 -14.114   7.026   1.620
  327   1HG   ARG  43          1HG       ARG  43 -15.504   8.678   0.449
  328   2HG   ARG  43          2HG       ARG  43 -16.794   7.484   0.383
  329   1HD   ARG  43          2HD       ARG  43 -15.537   8.545   2.902
  330   2HD   ARG  43          1HD       ARG  43 -17.088   9.060   2.246
  331    HE   ARG  43           HE       ARG  43 -16.574   6.730   3.799
  332   1HH1  ARG  43          1HH1      ARG  43 -18.663   7.951   1.253
  333   2HH1  ARG  43          2HH1      ARG  43 -19.920   6.807   1.583
  334   1HH2  ARG  43          1HH2      ARG  43 -18.237   5.247   4.213
  335   2HH2  ARG  43          2HH2      ARG  43 -19.680   5.280   3.255
  336    H    GLY  44           H        GLY  44 -14.875   3.911  -1.047
  337   1HA   GLY  44          2HA       GLY  44 -16.888   3.049  -2.000
  338   2HA   GLY  44          1HA       GLY  44 -17.247   4.652  -2.620
  339    H    GLN  45           H        GLN  45 -14.195   4.607  -3.425
  340    HA   GLN  45           HA       GLN  45 -14.717   3.778  -6.131
  341   1HB   GLN  45          1HB       GLN  45 -12.257   4.862  -4.771
  342   2HB   GLN  45          2HB       GLN  45 -12.288   4.416  -6.470
  343   1HG   GLN  45          1HG       GLN  45 -14.171   6.038  -6.765
  344   2HG   GLN  45          2HG       GLN  45 -13.877   6.574  -5.109
  345   1HE2  GLN  45          1HE2      GLN  45 -13.338   7.387  -8.177
  346   2HE2  GLN  45          2HE2      GLN  45 -11.838   8.231  -8.029
  347    H    VAL  46           H        VAL  46 -13.118   2.436  -7.334
  348    HA   VAL  46           HA       VAL  46 -12.640  -0.060  -5.869
  349    HB   VAL  46           HB       VAL  46 -12.274   0.279  -8.835
  350   1HG1  VAL  46          1HG1      VAL  46 -13.231  -2.150  -8.624
  351   2HG1  VAL  46          2HG1      VAL  46 -12.672  -1.992  -6.959
  352   3HG1  VAL  46          3HG1      VAL  46 -11.532  -1.810  -8.293
  353   1HG2  VAL  46          1HG2      VAL  46 -14.731   0.691  -7.471
  354   2HG2  VAL  46          2HG2      VAL  46 -14.830  -0.830  -8.358
  355   3HG2  VAL  46          3HG2      VAL  46 -14.415   0.661  -9.209
  356    H    VAL  47           H        VAL  47 -10.636  -0.512  -5.182
  357    HA   VAL  47           HA       VAL  47  -8.358   0.701  -6.612
  358    HB   VAL  47           HB       VAL  47  -8.349  -0.012  -3.675
  359   1HG1  VAL  47          1HG1      VAL  47  -6.513   1.988  -4.866
  360   2HG1  VAL  47          2HG1      VAL  47  -6.228   0.292  -5.257
  361   3HG1  VAL  47          3HG1      VAL  47  -6.237   0.819  -3.574
  362   1HG2  VAL  47          1HG2      VAL  47  -9.638   2.198  -4.916
  363   2HG2  VAL  47          2HG2      VAL  47  -8.224   2.797  -4.050
  364   3HG2  VAL  47          3HG2      VAL  47  -9.448   1.857  -3.196
  365    H    TYR  48           H        TYR  48  -7.072  -0.718  -7.574
  366    HA   TYR  48           HA       TYR  48  -7.299  -3.532  -6.871
  367   1HB   TYR  48          2HB       TYR  48  -5.968  -2.157  -9.210
  368   2HB   TYR  48          1HB       TYR  48  -5.888  -3.887  -8.934
  369    HD1  TYR  48           HD1      TYR  48  -8.472  -1.177  -9.276
  370    HD2  TYR  48           HD2      TYR  48  -7.413  -5.231 -10.005
  371    HE1  TYR  48           HE1      TYR  48 -10.561  -1.493 -10.531
  372    HE2  TYR  48           HE2      TYR  48  -9.498  -5.555 -11.262
  373    HH   TYR  48           HH       TYR  48 -11.904  -4.314 -11.191
  374    H    VAL  49           H        VAL  49  -5.853  -4.590  -5.699
  375    HA   VAL  49           HA       VAL  49  -3.438  -3.227  -4.820
  376    HB   VAL  49           HB       VAL  49  -4.434  -5.965  -3.995
  377   1HG1  VAL  49          1HG1      VAL  49  -2.606  -6.102  -2.743
  378   2HG1  VAL  49          2HG1      VAL  49  -2.989  -4.564  -1.968
  379   3HG1  VAL  49          3HG1      VAL  49  -2.030  -4.591  -3.449
  380   1HG2  VAL  49          1HG2      VAL  49  -5.223  -3.243  -3.102
  381   2HG2  VAL  49          2HG2      VAL  49  -5.073  -4.506  -1.880
  382   3HG2  VAL  49          3HG2      VAL  49  -6.185  -4.714  -3.232
  383    H    PHE  50           H        PHE  50  -1.449  -3.636  -5.576
  384    HA   PHE  50           HA       PHE  50  -1.106  -5.910  -7.407
  385   1HB   PHE  50          2HB       PHE  50   0.116  -3.162  -7.392
  386   2HB   PHE  50          1HB       PHE  50   0.881  -4.489  -8.256
  387    HD1  PHE  50           HD1      PHE  50  -2.423  -2.748  -7.994
  388    HD2  PHE  50           HD2      PHE  50   0.339  -4.861 -10.449
  389    HE1  PHE  50           HE1      PHE  50  -3.841  -2.317  -9.955
  390    HE2  PHE  50           HE2      PHE  50  -1.078  -4.432 -12.413
  391    HZ   PHE  50           HZ       PHE  50  -3.169  -3.158 -12.168
  392    H    SER  51           H        SER  51   0.344  -4.203  -4.662
  393    HA   SER  51           HA       SER  51   2.022  -6.546  -4.192
  394   1HB   SER  51          2HB       SER  51   4.032  -5.139  -3.814
  395   2HB   SER  51          1HB       SER  51   3.482  -5.111  -5.485
  396    HG   SER  51           HG       SER  51   2.395  -3.117  -4.948
  397    H    LYS  52           H        LYS  52   2.779  -6.841  -2.106
  398    HA   LYS  52           HA       LYS  52   1.639  -5.039  -0.048
  399   1HB   LYS  52          1HB       LYS  52   2.127  -7.992   0.367
  400   2HB   LYS  52          2HB       LYS  52   1.249  -6.895   1.407
  401   1HG   LYS  52          1HG       LYS  52  -0.496  -6.676  -0.297
  402   2HG   LYS  52          2HG       LYS  52   0.377  -7.816  -1.323
  403   1HD   LYS  52          1HD       LYS  52   0.151  -9.538   0.405
  404   2HD   LYS  52          2HD       LYS  52  -0.729  -8.397   1.424
  405   1HE   LYS  52          2HE       LYS  52  -2.476  -8.222  -0.280
  406   2HE   LYS  52          1HE       LYS  52  -1.594  -9.364  -1.300
  407   1HZ   LYS  52          1HZ       LYS  52  -2.122 -11.117   0.047
  408   2HZ   LYS  52          2HZ       LYS  52  -3.513 -10.173   0.242
  409   3HZ   LYS  52          3HZ       LYS  52  -2.311 -10.163   1.433
  410    H    LEU  53           H        LEU  53   3.240  -3.940   0.952
  411    HA   LEU  53           HA       LEU  53   5.972  -4.603   0.633
  412   1HB   LEU  53          1HB       LEU  53   4.791  -2.730   2.676
  413   2HB   LEU  53          2HB       LEU  53   6.440  -2.727   2.076
  414    HG   LEU  53           HG       LEU  53   3.991  -2.103   0.412
  415   1HD1  LEU  53          1HD2      LEU  53   4.457   0.162   0.647
  416   2HD1  LEU  53          2HD2      LEU  53   6.080  -0.137   1.266
  417   3HD1  LEU  53          3HD2      LEU  53   4.674  -0.480   2.276
  418   1HD2  LEU  53          1HD1      LEU  53   5.413  -2.673  -1.250
  419   2HD2  LEU  53          2HD1      LEU  53   6.847  -2.461  -0.241
  420   3HD2  LEU  53          3HD1      LEU  53   6.057  -1.055  -0.954
  421    H    LYS  54           H        LYS  54   7.560  -5.270   2.083
  422    HA   LYS  54           HA       LYS  54   6.568  -6.805   4.406
  423   1HB   LYS  54          1HB       LYS  54   8.971  -7.355   2.659
  424   2HB   LYS  54          2HB       LYS  54   8.521  -8.282   4.079
  425   1HG   LYS  54          2HG       LYS  54   6.498  -9.017   3.004
  426   2HG   LYS  54          1HG       LYS  54   6.836  -7.990   1.608
  427   1HD   LYS  54          1HD       LYS  54   7.527 -10.142   0.967
  428   2HD   LYS  54          2HD       LYS  54   9.011  -9.288   1.372
  429   1HE   LYS  54          2HE       LYS  54   9.024 -10.351   3.576
  430   2HE   LYS  54          1HE       LYS  54   7.535 -11.206   3.174
  431   1HZ   LYS  54          1HZ       LYS  54  10.149 -11.514   1.796
  432   2HZ   LYS  54          2HZ       LYS  54   8.721 -12.310   1.364
  433   3HZ   LYS  54          3HZ       LYS  54   9.445 -12.628   2.859
  434    H    GLY  55           H        GLY  55   8.945  -4.496   3.291
  435   1HA   GLY  55          2HA       GLY  55  10.758  -4.673   5.461
  436   2HA   GLY  55          1HA       GLY  55  10.608  -3.319   4.357
  437    H    ARG  56           H        ARG  56   9.938  -1.448   5.166
  438    HA   ARG  56           HA       ARG  56   9.074  -1.347   7.937
  439   1HB   ARG  56          1HB       ARG  56   9.689   0.866   5.969
  440   2HB   ARG  56          2HB       ARG  56   9.301   1.111   7.665
  441   1HG   ARG  56          1HG       ARG  56  11.295  -0.138   8.310
  442   2HG   ARG  56          2HG       ARG  56  11.683  -0.399   6.607
  443   1HD   ARG  56          2HD       ARG  56  11.868   2.019   6.281
  444   2HD   ARG  56          1HD       ARG  56  11.485   2.278   7.982
  445    HE   ARG  56           HE       ARG  56  13.687   0.564   7.829
  446   1HH1  ARG  56          1HH1      ARG  56  12.904   3.911   7.129
  447   2HH1  ARG  56          2HH1      ARG  56  14.521   4.467   7.406
  448   1HH2  ARG  56          1HH2      ARG  56  15.800   1.312   8.188
  449   2HH2  ARG  56          2HH2      ARG  56  16.159   2.997   8.005
  450    H    GLY  57           H        GLY  57   7.414  -2.141   5.410
  451   1HA   GLY  57          1HA       GLY  57   5.056  -0.521   6.121
  452   2HA   GLY  57          2HA       GLY  57   5.394  -1.016   4.469
  453    H    ARG  58           H        ARG  58   5.257  -2.567   7.662
  454    HA   ARG  58           HA       ARG  58   4.522  -5.124   6.849
  455   1HB   ARG  58          2HB       ARG  58   3.672  -3.751   9.407
  456   2HB   ARG  58          1HB       ARG  58   3.776  -5.484   9.136
  457   1HG   ARG  58          1HG       ARG  58   6.173  -3.694   8.934
  458   2HG   ARG  58          2HG       ARG  58   5.633  -4.390  10.460
  459   1HD   ARG  58          2HD       ARG  58   6.372  -5.954   7.986
  460   2HD   ARG  58          1HD       ARG  58   7.409  -5.725   9.393
  461    HE   ARG  58           HE       ARG  58   4.985  -6.823  10.256
  462   1HH1  ARG  58          1HH1      ARG  58   7.772  -7.768   8.347
  463   2HH1  ARG  58          2HH1      ARG  58   7.613  -9.446   8.736
  464   1HH2  ARG  58          1HH2      ARG  58   4.793  -9.029  10.754
  465   2HH2  ARG  58          2HH2      ARG  58   5.927 -10.161  10.097
  466    H    LEU  59           H        LEU  59   2.445  -2.510   8.024
  467    HA   LEU  59           HA       LEU  59   0.075  -3.908   7.015
  468   1HB   LEU  59          1HB       LEU  59   0.301  -1.450   8.760
  469   2HB   LEU  59          2HB       LEU  59  -1.198  -2.237   8.311
  470    HG   LEU  59           HG       LEU  59   0.975  -3.584   9.922
  471   1HD1  LEU  59          1HD1      LEU  59  -1.066  -3.206  11.655
  472   2HD1  LEU  59          2HD1      LEU  59  -1.156  -1.721  10.708
  473   3HD1  LEU  59          3HD1      LEU  59   0.343  -2.152  11.533
  474   1HD2  LEU  59          1HD2      LEU  59  -0.308  -5.291   9.028
  475   2HD2  LEU  59          2HD2      LEU  59  -1.792  -4.338   9.071
  476   3HD2  LEU  59          3HD2      LEU  59  -1.114  -4.983  10.566
  477    H    PHE  60           H        PHE  60   2.171  -2.300   5.429
  478    HA   PHE  60           HA       PHE  60   0.307  -0.414   4.153
  479   1HB   PHE  60          2HB       PHE  60   3.321  -0.405   4.274
  480   2HB   PHE  60          1HB       PHE  60   2.420   0.589   3.141
  481    HD1  PHE  60           HD1      PHE  60   2.758  -0.098   6.799
  482    HD2  PHE  60           HD2      PHE  60   1.715   2.696   3.759
  483    HE1  PHE  60           HE1      PHE  60   2.537   1.665   8.499
  484    HE2  PHE  60           HE2      PHE  60   1.494   4.462   5.456
  485    HZ   PHE  60           HZ       PHE  60   1.906   3.949   7.829
  486    H    TRP  61           H        TRP  61  -0.430  -0.867   2.240
  487    HA   TRP  61           HA       TRP  61   0.906  -2.929   0.626
  488   1HB   TRP  61          2HB       TRP  61  -1.999  -2.116   0.836
  489   2HB   TRP  61          1HB       TRP  61  -1.397  -3.119  -0.478
  490    HD1  TRP  61           HD1      TRP  61   0.584  -4.518   2.086
  491    HE1  TRP  61           HE1      TRP  61  -0.538  -6.482   3.291
  492    HE3  TRP  61           HE3      TRP  61  -4.267  -3.701   0.659
  493    HZ2  TRP  61           HZ2      TRP  61  -3.124  -7.542   3.625
  494    HZ3  TRP  61           HZ3      TRP  61  -6.001  -5.240   1.476
  495    HH2  TRP  61           HH2      TRP  61  -5.441  -7.121   2.928
  496    H    GLY  62           H        GLY  62  -0.195  -2.501  -1.826
  497   1HA   GLY  62          2HA       GLY  62  -0.064   0.281  -2.578
  498   2HA   GLY  62          1HA       GLY  62   1.394  -0.648  -3.037
  499    H    GLY  63           H        GLY  63  -0.209   0.590  -4.912
  500   1HA   GLY  63          2HA       GLY  63  -0.549  -1.271  -6.878
  501   2HA   GLY  63          1HA       GLY  63  -2.101  -1.237  -6.054
  502    H    SER  64           H        SER  64  -3.280  -0.351  -7.686
  503    HA   SER  64           HA       SER  64  -2.819   2.492  -8.181
  504   1HB   SER  64          2HB       SER  64  -3.234   0.422 -10.347
  505   2HB   SER  64          1HB       SER  64  -3.382   2.160 -10.608
  506    HG   SER  64           HG       SER  64  -1.147   2.192  -9.668
  507    H    VAL  65           H        VAL  65  -4.657   3.691  -8.422
  508    HA   VAL  65           HA       VAL  65  -7.128   2.383  -7.619
  509    HB   VAL  65           HB       VAL  65  -6.575   5.338  -7.987
  510   1HG1  VAL  65          1HG2      VAL  65  -8.972   3.829  -7.341
  511   2HG1  VAL  65          2HG2      VAL  65  -8.791   5.527  -7.778
  512   3HG1  VAL  65          3HG2      VAL  65  -8.576   5.021  -6.102
  513   1HG2  VAL  65          1HG1      VAL  65  -5.472   5.319  -6.062
  514   2HG2  VAL  65          2HG1      VAL  65  -5.633   3.564  -5.990
  515   3HG2  VAL  65          3HG1      VAL  65  -6.864   4.593  -5.256
  516    H    GLN  66           H        GLN  66  -8.836   2.045  -8.882
  517    HA   GLN  66           HA       GLN  66  -8.961   3.376 -11.500
  518   1HB   GLN  66          1HB       GLN  66  -8.132   1.109 -11.862
  519   2HB   GLN  66          2HB       GLN  66  -9.486   0.446 -10.958
  520   1HG   GLN  66          2HG       GLN  66 -11.036   1.234 -12.640
  521   2HG   GLN  66          1HG       GLN  66  -9.715   1.995 -13.528
  522   1HE2  GLN  66          1HE2      GLN  66  -8.310  -0.742 -12.486
  523   2HE2  GLN  66          2HE2      GLN  66  -8.708  -1.808 -13.782
  524    H    GLY  67           H        GLY  67 -10.551   4.799 -10.978
  525   1HA   GLY  67          1HA       GLY  67 -13.158   3.636 -10.208
  526   2HA   GLY  67          2HA       GLY  67 -12.588   5.159  -9.542
  527    H    ASP  68           H        ASP  68 -11.449   6.145 -11.959
  528    HA   ASP  68           HA       ASP  68 -13.619   6.306 -13.883
  529   1HB   ASP  68          2HB       ASP  68 -14.120   8.066 -12.193
  530   2HB   ASP  68          1HB       ASP  68 -12.553   8.793 -12.530
  531    H    TYR  69           H        TYR  69 -10.389   6.696 -12.911
  532    HA   TYR  69           HA       TYR  69  -8.413   6.590 -13.986
  533   1HB   TYR  69          2HB       TYR  69  -9.703   5.187 -15.678
  534   2HB   TYR  69          1HB       TYR  69  -9.819   6.643 -16.655
  535    HD1  TYR  69           HD1      TYR  69  -8.464   6.376 -18.502
  536    HD2  TYR  69           HD2      TYR  69  -6.967   5.173 -14.701
  537    HE1  TYR  69           HE1      TYR  69  -6.293   5.846 -19.526
  538    HE2  TYR  69           HE2      TYR  69  -4.794   4.649 -15.716
  539    HH   TYR  69           HH       TYR  69  -3.942   5.626 -18.854
  540    H    TYR  70           H        TYR  70 -10.655   8.893 -15.544
  541    HA   TYR  70           HA       TYR  70 -10.449  11.047 -16.205
  542   1HB   TYR  70          2HB       TYR  70  -8.290  11.081 -14.090
  543   2HB   TYR  70          1HB       TYR  70  -8.899  12.512 -14.903
  544    HD1  TYR  70           HD1      TYR  70  -9.636   9.934 -12.409
  545    HD2  TYR  70           HD2      TYR  70 -11.091  13.412 -14.382
  546    HE1  TYR  70           HE1      TYR  70 -11.380  10.173 -10.693
  547    HE2  TYR  70           HE2      TYR  70 -12.840  13.657 -12.673
  548    HH   TYR  70           HH       TYR  70 -12.792  12.343  -9.792
  549    H    GLY  71           H        GLY  71  -8.549   8.881 -17.354
  550   1HA   GLY  71          1HA       GLY  71  -7.343   9.102 -19.380
  551   2HA   GLY  71          2HA       GLY  71  -6.994  10.773 -18.964
  552    H    ASP  72           H        ASP  72  -6.001  10.415 -16.373
  553    HA   ASP  72           HA       ASP  72  -3.716   8.603 -16.628
  554   1HB   ASP  72          2HB       ASP  72  -3.495  11.565 -16.043
  555   2HB   ASP  72          1HB       ASP  72  -2.177  10.413 -15.885
  556    H    LEU  73           H        LEU  73  -3.926   7.341 -14.874
  557    HA   LEU  73           HA       LEU  73  -3.915   8.541 -12.242
  558   1HB   LEU  73          2HB       LEU  73  -6.343   8.318 -12.981
  559   2HB   LEU  73          1HB       LEU  73  -6.107   6.588 -12.844
  560    HG   LEU  73           HG       LEU  73  -5.442   6.966 -10.438
  561   1HD1  LEU  73          1HD1      LEU  73  -5.260   9.010  -9.584
  562   2HD1  LEU  73          2HD1      LEU  73  -6.868   9.451 -10.160
  563   3HD1  LEU  73          3HD1      LEU  73  -5.468   9.654 -11.214
  564   1HD2  LEU  73          1HD2      LEU  73  -7.740   6.330 -11.400
  565   2HD2  LEU  73          2HD2      LEU  73  -8.205   7.966 -10.935
  566   3HD2  LEU  73          3HD2      LEU  73  -7.626   6.832  -9.715
  567    H    ALA  74           H        ALA  74  -4.246   5.520 -14.084
  568    HA   ALA  74           HA       ALA  74  -2.752   4.092 -12.013
  569   1HB   ALA  74          1HB       ALA  74  -4.948   3.317 -13.366
  570   2HB   ALA  74          2HB       ALA  74  -3.771   2.192 -12.682
  571   3HB   ALA  74          3HB       ALA  74  -3.691   2.619 -14.391
  572    H    ALA  75           H        ALA  75  -1.586   6.066 -13.953
  573    HA   ALA  75           HA       ALA  75   0.048   4.588 -15.783
  574   1HB   ALA  75          1HB       ALA  75   0.380   7.427 -14.815
  575   2HB   ALA  75          2HB       ALA  75  -0.622   6.931 -16.179
  576   3HB   ALA  75          3HB       ALA  75   1.126   6.705 -16.240
  577    H    ARG  76           H        ARG  76   0.599   6.190 -12.659
  578    HA   ARG  76           HA       ARG  76   3.166   4.774 -12.465
  579   1HB   ARG  76          2HB       ARG  76   3.712   6.479 -10.670
  580   2HB   ARG  76          1HB       ARG  76   3.625   7.084 -12.313
  581   1HG   ARG  76          2HG       ARG  76   2.518   8.735 -11.195
  582   2HG   ARG  76          1HG       ARG  76   1.168   7.695 -11.643
  583   1HD   ARG  76          2HD       ARG  76   1.075   6.751  -9.448
  584   2HD   ARG  76          1HD       ARG  76   2.585   7.531  -8.988
  585    HE   ARG  76           HE       ARG  76   1.388   9.386  -8.441
  586   1HH1  ARG  76          1HH1      ARG  76  -0.602   7.511 -10.645
  587   2HH1  ARG  76          2HH1      ARG  76  -1.948   8.593 -10.525
  588   1HH2  ARG  76          1HH2      ARG  76  -0.388  10.783  -8.302
  589   2HH2  ARG  76          2HH2      ARG  76  -1.827  10.441  -9.203
  590    H    LEU  77           H        LEU  77   3.776   3.861 -10.432
  591    HA   LEU  77           HA       LEU  77   1.514   2.618  -9.096
  592   1HB   LEU  77          2HB       LEU  77   3.987   1.722  -9.889
  593   2HB   LEU  77          1HB       LEU  77   4.183   1.912  -8.160
  594    HG   LEU  77           HG       LEU  77   3.542  -0.366  -8.763
  595   1HD1  LEU  77          1HD1      LEU  77   1.060   0.350  -7.462
  596   2HD1  LEU  77          2HD1      LEU  77   2.465   1.139  -6.744
  597   3HD1  LEU  77          3HD1      LEU  77   2.412  -0.619  -6.872
  598   1HD2  LEU  77          1HD2      LEU  77   1.564  -0.979  -9.821
  599   2HD2  LEU  77          2HD2      LEU  77   2.165   0.381 -10.770
  600   3HD2  LEU  77          3HD2      LEU  77   0.854   0.622  -9.616
  601    H    GLY  78           H        GLY  78   0.859   3.008  -7.060
  602   1HA   GLY  78          1HA       GLY  78   2.541   4.760  -5.368
  603   2HA   GLY  78          2HA       GLY  78   0.812   5.031  -5.537
  604    H    TYR  79           H        TYR  79   1.440   4.806  -3.035
  605    HA   TYR  79           HA       TYR  79   0.784   2.026  -2.311
  606   1HB   TYR  79          2HB       TYR  79   2.564   3.879  -0.705
  607   2HB   TYR  79          1HB       TYR  79   2.131   2.225  -0.279
  608    HD1  TYR  79           HD1      TYR  79   4.740   4.104  -1.383
  609    HD2  TYR  79           HD2      TYR  79   2.655   0.561  -2.482
  610    HE1  TYR  79           HE1      TYR  79   6.729   3.312  -2.587
  611    HE2  TYR  79           HE2      TYR  79   4.635  -0.240  -3.695
  612    HH   TYR  79           HH       TYR  79   7.594   0.786  -3.257
  613    H    PHE  80           H        PHE  80  -0.399   1.762  -0.313
  614    HA   PHE  80           HA       PHE  80  -1.682   4.064   0.875
  615   1HB   PHE  80          2HB       PHE  80  -3.996   3.160   0.375
  616   2HB   PHE  80          1HB       PHE  80  -3.145   3.849  -1.003
  617    HD1  PHE  80           HD1      PHE  80  -4.168   0.651   0.585
  618    HD2  PHE  80           HD2      PHE  80  -2.699   2.567  -2.922
  619    HE1  PHE  80           HE1      PHE  80  -4.552  -1.411  -0.699
  620    HE2  PHE  80           HE2      PHE  80  -3.082   0.509  -4.208
  621    HZ   PHE  80           HZ       PHE  80  -4.009  -1.483  -3.099
  622    HA   PRO  81           HA       PRO  81  -1.761   1.303   4.379
  623   1HB   PRO  81          2HB       PRO  81  -4.168   2.557   5.457
  624   2HB   PRO  81          1HB       PRO  81  -2.510   2.631   6.058
  625   1HG   PRO  81          2HG       PRO  81  -3.753   4.768   4.965
  626   2HG   PRO  81          1HG       PRO  81  -2.005   4.503   4.824
  627   1HD   PRO  81          2HD       PRO  81  -4.171   3.956   2.825
  628   2HD   PRO  81          1HD       PRO  81  -2.569   4.684   2.577
  629    H    SER  82           H        SER  82  -2.566  -0.669   4.818
  630    HA   SER  82           HA       SER  82  -4.620  -1.802   3.250
  631   1HB   SER  82          2HB       SER  82  -4.275  -3.813   4.584
  632   2HB   SER  82          1HB       SER  82  -2.718  -3.071   4.224
  633    HG   SER  82           HG       SER  82  -3.172  -3.772   6.485
  634    H    SER  83           H        SER  83  -4.675  -0.154   6.276
  635    HA   SER  83           HA       SER  83  -7.021  -1.220   7.398
  636   1HB   SER  83          1HB       SER  83  -5.756   1.495   7.787
  637   2HB   SER  83          2HB       SER  83  -7.006   0.801   8.819
  638    HG   SER  83           HG       SER  83  -4.456  -0.351   8.344
  639    H    ILE  84           H        ILE  84  -6.667   0.981   4.731
  640    HA   ILE  84           HA       ILE  84  -9.439   1.877   5.099
  641    HB   ILE  84           HB       ILE  84  -9.056   3.555   3.386
  642   1HG1  ILE  84          2HG1      ILE  84  -6.132   2.854   3.413
  643   2HG1  ILE  84          1HG1      ILE  84  -7.227   2.138   2.229
  644   1HG2  ILE  84          1HG2      ILE  84  -8.067   5.021   4.815
  645   2HG2  ILE  84          2HG2      ILE  84  -6.753   3.915   5.220
  646   3HG2  ILE  84          3HG2      ILE  84  -8.350   3.685   5.931
  647   1HD1  ILE  84          1HD1      ILE  84  -6.025   4.754   2.289
  648   2HD1  ILE  84          2HD1      ILE  84  -7.778   4.841   2.127
  649   3HD1  ILE  84          3HD1      ILE  84  -6.831   3.908   0.968
  650    H    VAL  85           H        VAL  85  -7.988  -0.659   3.624
  651    HA   VAL  85           HA       VAL  85 -10.022  -0.671   1.484
  652    HB   VAL  85           HB       VAL  85  -8.567  -2.048   0.085
  653   1HG1  VAL  85          1HG1      VAL  85  -7.143   0.465   0.939
  654   2HG1  VAL  85          2HG1      VAL  85  -8.554   0.418  -0.118
  655   3HG1  VAL  85          3HG1      VAL  85  -7.044  -0.336  -0.629
  656   1HG2  VAL  85          1HG2      VAL  85  -6.056  -2.006   0.790
  657   2HG2  VAL  85          2HG2      VAL  85  -7.132  -3.251   1.430
  658   3HG2  VAL  85          3HG2      VAL  85  -6.714  -1.850   2.419
  659    H    ARG  86           H        ARG  86 -10.884  -2.724   0.873
  660    HA   ARG  86           HA       ARG  86 -10.548  -4.856   2.867
  661   1HB   ARG  86          2HB       ARG  86 -12.582  -3.524   3.404
  662   2HB   ARG  86          1HB       ARG  86 -13.221  -3.905   1.813
  663   1HG   ARG  86          2HG       ARG  86 -13.241  -6.282   2.387
  664   2HG   ARG  86          1HG       ARG  86 -12.602  -5.897   3.986
  665   1HD   ARG  86          2HD       ARG  86 -14.592  -4.558   4.463
  666   2HD   ARG  86          1HD       ARG  86 -15.229  -4.930   2.863
  667    HE   ARG  86           HE       ARG  86 -15.959  -6.928   3.673
  668   1HH1  ARG  86          1HH1      ARG  86 -13.498  -5.755   5.888
  669   2HH1  ARG  86          2HH1      ARG  86 -13.717  -7.062   7.000
  670   1HH2  ARG  86          1HH2      ARG  86 -16.226  -8.628   5.146
  671   2HH2  ARG  86          2HH2      ARG  86 -15.258  -8.688   6.581
  672    H    GLU  87           H        GLU  87  -9.689  -6.467   1.740
  673    HA   GLU  87           HA       GLU  87 -10.054  -6.874  -1.047
  674   1HB   GLU  87          1HB       GLU  87  -8.709  -8.325   1.172
  675   2HB   GLU  87          2HB       GLU  87  -9.092  -9.251  -0.275
  676   1HG   GLU  87          2HG       GLU  87  -7.849  -7.594  -1.615
  677   2HG   GLU  87          1HG       GLU  87  -7.401  -6.768  -0.124
  678    H    ASP  88           H        ASP  88 -11.675  -7.816  -2.086
  679    HA   ASP  88           HA       ASP  88 -13.560  -9.461  -0.538
  680   1HB   ASP  88          2HB       ASP  88 -14.412  -7.308  -1.515
  681   2HB   ASP  88          1HB       ASP  88 -14.109  -7.977  -3.114
  682    H    GLN  89           H        GLN  89 -12.038  -9.192  -3.764
  683    HA   GLN  89           HA       GLN  89 -12.198 -12.130  -3.958
  684   1HB   GLN  89          2HB       GLN  89 -14.118 -11.182  -5.187
  685   2HB   GLN  89          1HB       GLN  89 -13.011 -10.245  -6.179
  686   1HG   GLN  89          1HG       GLN  89 -12.242 -12.989  -6.283
  687   2HG   GLN  89          2HG       GLN  89 -13.969 -12.861  -6.611
  688   1HE2  GLN  89          1HE2      GLN  89 -10.989 -12.832  -7.986
  689   2HE2  GLN  89          2HE2      GLN  89 -11.348 -11.999  -9.453
  690    H    THR  90           H        THR  90 -10.380 -13.070  -4.603
  691    HA   THR  90           HA       THR  90  -8.110 -11.452  -5.411
  692    HB   THR  90           HB       THR  90  -8.333 -14.441  -4.984
  693    HG1  THR  90           HG1      THR  90  -8.245 -13.986  -2.961
  694   1HG2  THR  90          1HG2      THR  90  -5.743 -13.220  -4.505
  695   2HG2  THR  90          2HG2      THR  90  -6.246 -13.151  -6.194
  696   3HG2  THR  90          3HG2      THR  90  -6.159 -14.704  -5.362
  697    H    LEU  91           H        LEU  91  -7.610 -11.057  -7.457
  698    HA   LEU  91           HA       LEU  91  -8.999 -12.391  -9.625
  699   1HB   LEU  91          1HB       LEU  91  -6.850 -10.286  -9.837
  700   2HB   LEU  91          2HB       LEU  91  -8.068 -10.692 -11.028
  701    HG   LEU  91           HG       LEU  91  -8.827  -9.544  -8.356
  702   1HD1  LEU  91          1HD2      LEU  91  -7.143  -8.223 -10.016
  703   2HD1  LEU  91          2HD2      LEU  91  -8.297  -7.447  -8.933
  704   3HD1  LEU  91          3HD2      LEU  91  -8.711  -7.699 -10.628
  705   1HD2  LEU  91          1HD1      LEU  91 -10.559  -8.607 -10.240
  706   2HD2  LEU  91          2HD1      LEU  91 -10.832 -10.016  -9.215
  707   3HD2  LEU  91          3HD1      LEU  91 -10.192 -10.223 -10.846
  708    H    LYS  92           H        LYS  92  -5.833 -12.308  -8.212
  709    HA   LYS  92           HA       LYS  92  -4.989 -14.610  -9.739
  710   1HB   LYS  92          2HB       LYS  92  -4.412 -12.563 -11.134
  711   2HB   LYS  92          1HB       LYS  92  -3.288 -12.114  -9.867
  712   1HG   LYS  92          2HG       LYS  92  -1.744 -13.328 -10.895
  713   2HG   LYS  92          1HG       LYS  92  -2.670 -14.769 -10.481
  714   1HD   LYS  92          1HD       LYS  92  -3.156 -13.134 -12.967
  715   2HD   LYS  92          2HD       LYS  92  -2.083 -14.529 -12.919
  716   1HE   LYS  92          2HE       LYS  92  -5.030 -14.568 -12.265
  717   2HE   LYS  92          1HE       LYS  92  -4.312 -15.099 -13.784
  718   1HZ   LYS  92          1HZ       LYS  92  -4.528 -16.488 -11.296
  719   2HZ   LYS  92          2HZ       LYS  92  -2.937 -16.475 -11.869
  720   3HZ   LYS  92          3HZ       LYS  92  -4.178 -17.091 -12.839
  721    HA   PRO  93           HA       PRO  93  -3.266 -15.454  -5.673
  722   1HB   PRO  93          2HB       PRO  93  -1.472 -17.261  -7.211
  723   2HB   PRO  93          1HB       PRO  93  -2.479 -17.613  -5.813
  724   1HG   PRO  93          2HG       PRO  93  -3.253 -18.456  -8.170
  725   2HG   PRO  93          1HG       PRO  93  -4.443 -17.678  -7.101
  726   1HD   PRO  93          2HD       PRO  93  -2.913 -16.494  -9.393
  727   2HD   PRO  93          1HD       PRO  93  -4.651 -16.402  -9.063
  728    H    GLY  94           H        GLY  94  -1.869 -14.263  -4.589
  729   1HA   GLY  94          1HA       GLY  94   0.554 -13.268  -5.920
  730   2HA   GLY  94          2HA       GLY  94  -0.159 -12.614  -4.449
  731    H    LYS  95           H        LYS  95   1.914 -15.023  -5.811
  732    HA   LYS  95           HA       LYS  95   2.913 -15.653  -3.137
  733   1HB   LYS  95          1HB       LYS  95   3.168 -18.072  -3.977
  734   2HB   LYS  95          2HB       LYS  95   1.576 -17.523  -3.470
  735   1HG   LYS  95          2HG       LYS  95   0.976 -17.125  -5.807
  736   2HG   LYS  95          1HG       LYS  95   2.565 -17.714  -6.305
  737   1HD   LYS  95          2HD       LYS  95   2.047 -19.890  -5.252
  738   2HD   LYS  95          1HD       LYS  95   0.438 -19.285  -4.852
  739   1HE   LYS  95          2HE       LYS  95   0.350 -20.641  -6.862
  740   2HE   LYS  95          1HE       LYS  95  -0.025 -18.961  -7.239
  741   1HZ   LYS  95          1HZ       LYS  95   1.606 -20.279  -8.729
  742   2HZ   LYS  95          2HZ       LYS  95   2.738 -19.932  -7.520
  743   3HZ   LYS  95          3HZ       LYS  95   1.959 -18.671  -8.335
  744    H    VAL  96           H        VAL  96   3.945 -13.952  -5.297
  745    HA   VAL  96           HA       VAL  96   6.533 -15.303  -5.727
  746    HB   VAL  96           HB       VAL  96   5.284 -13.283  -7.611
  747   1HG1  VAL  96          1HG1      VAL  96   7.620 -15.029  -8.270
  748   2HG1  VAL  96          2HG1      VAL  96   7.863 -13.533  -7.368
  749   3HG1  VAL  96          3HG1      VAL  96   7.139 -13.487  -8.976
  750   1HG2  VAL  96          1HG2      VAL  96   5.766 -16.097  -8.433
  751   2HG2  VAL  96          2HG2      VAL  96   4.540 -14.953  -8.976
  752   3HG2  VAL  96          3HG2      VAL  96   4.362 -15.763  -7.420
  753    H    ASP  97           H        ASP  97   8.034 -14.375  -4.496
  754    HA   ASP  97           HA       ASP  97   7.697 -11.678  -3.495
  755   1HB   ASP  97          2HB       ASP  97   8.503 -13.605  -2.087
  756   2HB   ASP  97          1HB       ASP  97   9.996 -13.581  -3.014
  757    H    VAL  98           H        VAL  98   8.379  -9.961  -4.571
  758    HA   VAL  98           HA       VAL  98  10.883 -10.113  -6.130
  759    HB   VAL  98           HB       VAL  98   8.506  -8.421  -6.957
  760   1HG1  VAL  98          1HG1      VAL  98  11.103  -8.133  -7.649
  761   2HG1  VAL  98          2HG1      VAL  98   9.747  -7.680  -8.683
  762   3HG1  VAL  98          3HG1      VAL  98  10.551  -9.232  -8.913
  763   1HG2  VAL  98          1HG2      VAL  98   8.770 -11.230  -7.233
  764   2HG2  VAL  98          2HG2      VAL  98   8.991 -10.509  -8.827
  765   3HG2  VAL  98          3HG2      VAL  98   7.528 -10.171  -7.901
  766    H    LYS  99           H        LYS  99  12.285  -8.409  -5.848
  767    HA   LYS  99           HA       LYS  99  11.764  -6.631  -3.644
  768   1HB   LYS  99          1HB       LYS  99  14.086  -5.796  -4.094
  769   2HB   LYS  99          2HB       LYS  99  13.979  -7.519  -3.788
  770   1HG   LYS  99          2HG       LYS  99  15.407  -7.542  -5.540
  771   2HG   LYS  99          1HG       LYS  99  13.887  -7.620  -6.425
  772   1HD   LYS  99          2HD       LYS  99  13.967  -5.201  -6.782
  773   2HD   LYS  99          1HD       LYS  99  15.478  -5.114  -5.877
  774   1HE   LYS  99          2HE       LYS  99  15.926  -5.089  -8.260
  775   2HE   LYS  99          1HE       LYS  99  16.543  -6.575  -7.539
  776   1HZ   LYS  99          1HZ       LYS  99  15.221  -6.689  -9.732
  777   2HZ   LYS  99          2HZ       LYS  99  13.856  -6.527  -8.746
  778   3HZ   LYS  99          3HZ       LYS  99  14.905  -7.836  -8.528
  779    H    THR 100           H        THR 100  12.371  -4.239  -3.870
  780    HA   THR 100           HA       THR 100  10.781  -3.143  -6.060
  781    HB   THR 100           HB       THR 100  10.855  -1.025  -4.803
  782    HG1  THR 100           HG1      THR 100  12.452  -2.493  -2.971
  783   1HG2  THR 100          1HG2      THR 100   9.132  -2.683  -4.191
  784   2HG2  THR 100          2HG2      THR 100   9.607  -1.634  -2.856
  785   3HG2  THR 100          3HG2      THR 100  10.207  -3.293  -2.933
  786    H    ASP 101           H        ASP 101  11.484  -1.576  -7.493
  787    HA   ASP 101           HA       ASP 101  14.392  -1.456  -7.890
  788   1HB   ASP 101          2HB       ASP 101  12.103  -0.916  -9.791
  789   2HB   ASP 101          1HB       ASP 101  13.800  -0.712 -10.204
  790    H    LYS 102           H        LYS 102  14.800   0.766  -9.327
  791    HA   LYS 102           HA       LYS 102  14.392   2.841  -7.368
  792   1HB   LYS 102          2HB       LYS 102  15.838   4.219  -8.863
  793   2HB   LYS 102          1HB       LYS 102  16.577   2.727  -8.315
  794   1HG   LYS 102          2HG       LYS 102  17.220   2.731 -10.500
  795   2HG   LYS 102          1HG       LYS 102  15.722   1.812 -10.617
  796   1HD   LYS 102          2HD       LYS 102  15.728   3.380 -12.407
  797   2HD   LYS 102          1HD       LYS 102  14.554   3.945 -11.225
  798   1HE   LYS 102          2HE       LYS 102  15.874   5.793 -12.096
  799   2HE   LYS 102          1HE       LYS 102  16.184   5.560 -10.375
  800   1HZ   LYS 102          1HZ       LYS 102  17.944   4.246 -12.326
  801   2HZ   LYS 102          2HZ       LYS 102  18.294   4.797 -10.766
  802   3HZ   LYS 102          3HZ       LYS 102  18.142   5.903 -12.037
  803    H    TRP 103           H        TRP 103  12.766   1.821 -10.174
  804    HA   TRP 103           HA       TRP 103  11.685   4.403 -10.890
  805   1HB   TRP 103          2HB       TRP 103  10.854   1.625 -11.773
  806   2HB   TRP 103          1HB       TRP 103  10.263   3.130 -12.465
  807    HD1  TRP 103           HD1      TRP 103  13.348   0.879 -12.395
  808    HE1  TRP 103           HE1      TRP 103  14.926   1.575 -14.306
  809    HE3  TRP 103           HE3      TRP 103  10.941   5.121 -13.939
  810    HZ2  TRP 103           HZ2      TRP 103  15.129   3.650 -16.205
  811    HZ3  TRP 103           HZ3      TRP 103  11.896   6.403 -15.809
  812    HH2  TRP 103           HH2      TRP 103  13.947   5.680 -16.920
  813    H    ASP 104           H        ASP 104  11.096   2.209  -8.454
  814    HA   ASP 104           HA       ASP 104   8.239   2.497  -8.268
  815   1HB   ASP 104          2HB       ASP 104  10.310   1.320  -6.408
  816   2HB   ASP 104          1HB       ASP 104   8.587   1.309  -6.065
  817    H    PHE 105           H        PHE 105  11.003   4.244  -7.145
  818    HA   PHE 105           HA       PHE 105   9.246   5.954  -5.503
  819   1HB   PHE 105          2HB       PHE 105  12.172   5.479  -4.898
  820   2HB   PHE 105          1HB       PHE 105  10.987   6.296  -3.889
  821    HD1  PHE 105           HD1      PHE 105  12.296   3.072  -4.982
  822    HD2  PHE 105           HD2      PHE 105   9.383   5.025  -2.568
  823    HE1  PHE 105           HE1      PHE 105  11.868   0.962  -3.799
  824    HE2  PHE 105           HE2      PHE 105   8.953   2.910  -1.381
  825    HZ   PHE 105           HZ       PHE 105  10.202   0.883  -1.993
  826    H    TYR 106           H        TYR 106   9.887   6.285  -8.287
  827    HA   TYR 106           HA       TYR 106  11.233   8.893  -8.154
  828   1HB   TYR 106          2HB       TYR 106  12.767   7.018  -8.969
  829   2HB   TYR 106          1HB       TYR 106  11.736   6.913 -10.384
  830    HD1  TYR 106           HD1      TYR 106  13.004   7.627 -12.168
  831    HD2  TYR 106           HD2      TYR 106  13.099   9.926  -8.576
  832    HE1  TYR 106           HE1      TYR 106  14.377   9.327 -13.291
  833    HE2  TYR 106           HE2      TYR 106  14.461  11.619  -9.695
  834    HH   TYR 106           HH       TYR 106  14.708  12.107 -12.705
  835    H    CYS 107           H        CYS 107   9.604  10.251  -8.617
  836    HA   CYS 107           HA       CYS 107   7.806   9.590 -10.856
  837   1HB   CYS 107          1HB       CYS 107   7.337  11.287  -8.406
  838   2HB   CYS 107          2HB       CYS 107   6.234  11.227  -9.772
  839    H    GLN 108           HN       GLN 108  10.367  10.827 -11.225
  840    HA   GLN 108           HA       GLN 108   9.634  13.550 -12.025
  841   1HB   GLN 108          2HB       GLN 108  11.555  13.367 -10.513
  842   2HB   GLN 108          1HB       GLN 108  12.350  12.277 -11.640
  843   1HG   GLN 108          2HG       GLN 108  13.329  14.422 -11.857
  844   2HG   GLN 108          1HG       GLN 108  12.379  14.099 -13.301
  845   1HE2  GLN 108          1HE2      GLN 108  11.336  15.802 -14.001
  846   2HE2  GLN 108          2HE2      GLN 108  10.653  17.060 -13.033
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1   7.049  15.506  -2.944
    2   2H    MET   1          2HT       MET   1   6.617  14.057  -3.702
    3   3H    MET   1          3HT       MET   1   5.983  15.522  -4.258
    4    HA   MET   1           HA       MET   1   7.973  14.370  -5.472
    5   1HB   MET   1          2HB       MET   1   6.821  16.503  -6.043
    6   2HB   MET   1          1HB       MET   1   7.854  17.343  -4.897
    7   1HG   MET   1          2HG       MET   1   9.818  16.730  -6.220
    8   2HG   MET   1          1HG       MET   1   8.776  15.898  -7.373
    9   1HE   MET   1          1HE       MET   1   9.762  17.432  -9.476
   10   2HE   MET   1          2HE       MET   1  10.873  17.950  -8.207
   11   3HE   MET   1          3HE       MET   1  10.070  19.149  -9.221
   12    H    GLY   2           H        GLY   2   9.961  13.662  -5.094
   13   1HA   GLY   2          2HA       GLY   2  12.260  14.368  -4.458
   14   2HA   GLY   2          1HA       GLY   2  11.551  14.969  -2.969
   15    HA   PRO   3           HA       PRO   3  12.902  10.483  -2.456
   16   1HB   PRO   3          2HB       PRO   3  15.108  11.153  -0.791
   17   2HB   PRO   3          1HB       PRO   3  15.143  10.471  -2.413
   18   1HG   PRO   3          1HG       PRO   3  15.996  13.019  -1.690
   19   2HG   PRO   3          2HG       PRO   3  15.724  12.427  -3.332
   20   1HD   PRO   3          1HD       PRO   3  14.035  14.171  -1.653
   21   2HD   PRO   3          2HD       PRO   3  14.157  14.055  -3.415
   22    H    MET   4           H        MET   4  12.279   9.282  -0.763
   23    HA   MET   4           HA       MET   4  12.104  10.343   1.927
   24   1HB   MET   4          2HB       MET   4   9.628   9.765   2.044
   25   2HB   MET   4          1HB       MET   4  10.035  11.216   1.142
   26   1HG   MET   4          1HG       MET   4   9.704  10.111  -0.938
   27   2HG   MET   4          2HG       MET   4   9.554   8.544  -0.147
   28   1HE   MET   4          1HE       MET   4   7.919   8.144   1.716
   29   2HE   MET   4          2HE       MET   4   6.885   7.585   0.397
   30   3HE   MET   4          3HE       MET   4   6.230   8.653   1.642
   31    HA   PRO   5           HA       PRO   5  12.713   6.167   3.413
   32   1HB   PRO   5          2HB       PRO   5   9.942   6.270   4.550
   33   2HB   PRO   5          1HB       PRO   5  11.437   5.688   5.293
   34   1HG   PRO   5          1HG       PRO   5  10.501   8.077   5.920
   35   2HG   PRO   5          2HG       PRO   5  12.239   7.847   5.656
   36   1HD   PRO   5          1HD       PRO   5  10.207   9.140   3.903
   37   2HD   PRO   5          2HD       PRO   5  11.923   9.528   4.121
   38    H    LYS   6           H        LYS   6  12.447   4.140   2.689
   39    HA   LYS   6           HA       LYS   6  10.756   3.685   0.429
   40   1HB   LYS   6          2HB       LYS   6  12.578   1.779   1.905
   41   2HB   LYS   6          1HB       LYS   6  11.874   1.512   0.318
   42   1HG   LYS   6          1HG       LYS   6  13.144   3.383  -0.580
   43   2HG   LYS   6          2HG       LYS   6  13.832   3.690   1.014
   44   1HD   LYS   6          2HD       LYS   6  15.480   2.474  -0.152
   45   2HD   LYS   6          1HD       LYS   6  14.718   1.310   0.932
   46   1HE   LYS   6          1HE       LYS   6  15.042   0.300  -1.236
   47   2HE   LYS   6          2HE       LYS   6  13.319   0.520  -0.938
   48   1HZ   LYS   6          1HZ       LYS   6  13.765   1.185  -3.155
   49   2HZ   LYS   6          2HZ       LYS   6  15.062   2.162  -2.686
   50   3HZ   LYS   6          3HZ       LYS   6  13.483   2.601  -2.273
   51    H    LEU   7           H        LEU   7  10.339   3.264   3.764
   52    HA   LEU   7           HA       LEU   7   8.632   2.460   5.029
   53   1HB   LEU   7          2HB       LEU   7   7.450   1.705   2.365
   54   2HB   LEU   7          1HB       LEU   7   6.736   1.126   3.851
   55    HG   LEU   7           HG       LEU   7   5.483   3.012   3.085
   56   1HD1  LEU   7          1HD1      LEU   7   5.827   2.828   5.514
   57   2HD1  LEU   7          2HD1      LEU   7   5.545   4.484   4.974
   58   3HD1  LEU   7          3HD1      LEU   7   7.179   3.955   5.384
   59   1HD2  LEU   7          1HD2      LEU   7   6.449   4.527   1.812
   60   2HD2  LEU   7          2HD2      LEU   7   8.060   4.096   2.393
   61   3HD2  LEU   7          3HD2      LEU   7   7.081   5.257   3.290
   62    H    ALA   8           H        ALA   8   9.641   0.181   2.492
   63    HA   ALA   8           HA       ALA   8  10.373  -1.763   4.531
   64   1HB   ALA   8          1HB       ALA   8   9.046  -3.049   2.275
   65   2HB   ALA   8          2HB       ALA   8   7.967  -2.008   3.205
   66   3HB   ALA   8          3HB       ALA   8   8.842  -3.312   4.007
   67    H    ASP   9           H        ASP   9  10.946  -3.871   2.638
   68    HA   ASP   9           HA       ASP   9  13.007  -2.594   0.962
   69   1HB   ASP   9          1HB       ASP   9  13.875  -3.701   3.085
   70   2HB   ASP   9          2HB       ASP   9  13.380  -5.236   2.381
   71    H    ARG  10           H        ARG  10  10.871  -5.389   1.413
   72    HA   ARG  10           HA       ARG  10  11.089  -5.914  -1.480
   73   1HB   ARG  10          2HB       ARG  10  10.760  -7.903   0.752
   74   2HB   ARG  10          1HB       ARG  10  10.451  -8.300  -0.925
   75   1HG   ARG  10          2HG       ARG  10  12.587  -9.059  -0.685
   76   2HG   ARG  10          1HG       ARG  10  12.893  -7.420  -1.260
   77   1HD   ARG  10          2HD       ARG  10  13.340  -6.655   0.960
   78   2HD   ARG  10          1HD       ARG  10  12.831  -8.195   1.645
   79    HE   ARG  10           HE       ARG  10  14.956  -8.600  -0.167
   80   1HH1  ARG  10          1HH1      ARG  10  14.345  -7.338   3.048
   81   2HH1  ARG  10          2HH1      ARG  10  15.949  -7.669   3.607
   82   1HH2  ARG  10          1HH2      ARG  10  17.054  -9.027   0.585
   83   2HH2  ARG  10          2HH2      ARG  10  17.482  -8.624   2.215
   84    H    LYS  11           H        LYS  11   9.169  -6.943  -2.441
   85    HA   LYS  11           HA       LYS  11   6.655  -6.261  -1.084
   86   1HB   LYS  11          2HB       LYS  11   5.801  -5.476  -3.319
   87   2HB   LYS  11          1HB       LYS  11   7.029  -4.451  -2.590
   88   1HG   LYS  11          2HG       LYS  11   8.697  -5.759  -4.040
   89   2HG   LYS  11          1HG       LYS  11   7.273  -6.293  -4.939
   90   1HD   LYS  11          2HD       LYS  11   6.673  -4.009  -5.422
   91   2HD   LYS  11          1HD       LYS  11   7.996  -3.418  -4.416
   92   1HE   LYS  11          2HE       LYS  11   8.619  -3.283  -6.750
   93   2HE   LYS  11          1HE       LYS  11   9.604  -4.497  -5.934
   94   1HZ   LYS  11          1HZ       LYS  11   8.818  -6.094  -7.243
   95   2HZ   LYS  11          2HZ       LYS  11   8.216  -4.866  -8.237
   96   3HZ   LYS  11          3HZ       LYS  11   7.212  -5.585  -7.080
   97    H    LEU  12           H        LEU  12   4.733  -7.245  -2.253
   98    HA   LEU  12           HA       LEU  12   5.416  -9.953  -3.207
   99   1HB   LEU  12          2HB       LEU  12   2.932  -9.079  -1.723
  100   2HB   LEU  12          1HB       LEU  12   3.273 -10.702  -2.280
  101    HG   LEU  12           HG       LEU  12   4.891  -9.246  -0.183
  102   1HD1  LEU  12          1HD1      LEU  12   3.741 -11.117   1.238
  103   2HD1  LEU  12          2HD1      LEU  12   2.511 -11.034  -0.023
  104   3HD1  LEU  12          3HD1      LEU  12   2.907  -9.597   0.920
  105   1HD2  LEU  12          1HD2      LEU  12   6.262 -10.892  -1.205
  106   2HD2  LEU  12          2HD2      LEU  12   4.950 -12.071  -1.224
  107   3HD2  LEU  12          3HD2      LEU  12   5.679 -11.588   0.308
  108    H    CYS  13           H        CYS  13   4.648 -10.568  -5.132
  109    HA   CYS  13           HA       CYS  13   2.502  -9.006  -6.401
  110   1HB   CYS  13          2HB       CYS  13   5.091  -9.879  -7.699
  111   2HB   CYS  13          1HB       CYS  13   3.727  -9.184  -8.560
  112    H    ALA  14           H        ALA  14   1.654 -10.168  -8.395
  113    HA   ALA  14           HA       ALA  14   0.969 -12.866  -7.679
  114   1HB   ALA  14          1HB       ALA  14  -0.804 -11.711  -8.647
  115   2HB   ALA  14          2HB       ALA  14  -0.235 -12.747  -9.956
  116   3HB   ALA  14          3HB       ALA  14   0.206 -11.040  -9.927
  117    H    ASP  15           H        ASP  15   2.993 -11.276 -10.043
  118    HA   ASP  15           HA       ASP  15   4.350 -13.800 -10.576
  119   1HB   ASP  15          1HB       ASP  15   4.516 -13.105 -13.037
  120   2HB   ASP  15          2HB       ASP  15   2.973 -13.753 -12.491
  121    H    GLN  16           H        GLN  16   6.413 -13.264 -11.963
  122    HA   GLN  16           HA       GLN  16   7.981 -11.510 -10.394
  123   1HB   GLN  16          1HB       GLN  16   8.673 -12.749 -13.059
  124   2HB   GLN  16          2HB       GLN  16   9.805 -12.071 -11.898
  125   1HG   GLN  16          2HG       GLN  16   9.207 -13.794 -10.288
  126   2HG   GLN  16          1HG       GLN  16   8.061 -14.477 -11.441
  127   1HE2  GLN  16          1HE2      GLN  16  11.046 -14.847 -10.184
  128   2HE2  GLN  16          2HE2      GLN  16  11.815 -15.695 -11.477
  129    H    GLU  17           H        GLU  17   5.904 -10.805 -12.951
  130    HA   GLU  17           HA       GLU  17   7.427  -8.521 -13.937
  131   1HB   GLU  17          2HB       GLU  17   4.643  -9.438 -14.686
  132   2HB   GLU  17          1HB       GLU  17   5.583  -8.205 -15.511
  133   1HG   GLU  17          1HG       GLU  17   7.249  -9.926 -16.102
  134   2HG   GLU  17          2HG       GLU  17   6.216 -11.137 -15.351
  135    H    CYS  18           H        CYS  18   4.944  -9.239 -11.646
  136    HA   CYS  18           HA       CYS  18   3.630  -8.000 -10.269
  137   1HB   CYS  18          1HB       CYS  18   5.720  -5.880 -10.835
  138   2HB   CYS  18          2HB       CYS  18   4.457  -5.719  -9.619
  139    H    SER  19           H        SER  19   3.065  -8.161 -13.054
  140    HA   SER  19           HA       SER  19   1.818  -5.613 -13.723
  141   1HB   SER  19          2HB       SER  19   3.147  -6.465 -15.482
  142   2HB   SER  19          1HB       SER  19   2.462  -8.074 -15.314
  143    HG   SER  19           HG       SER  19   1.593  -5.996 -16.794
  144    H    HIS  20           H        HIS  20   1.023  -8.619 -12.387
  145    HA   HIS  20           HA       HIS  20  -1.780  -8.488 -13.226
  146   1HB   HIS  20          2HB       HIS  20  -0.010 -10.601 -12.129
  147   2HB   HIS  20          1HB       HIS  20  -1.708 -10.686 -11.690
  148    HD1  HIS  20           HD1      HIS  20  -1.276 -13.002 -13.078
  149    HD2  HIS  20           HD2      HIS  20  -1.527  -9.492 -15.279
  150    HE1  HIS  20           HE1      HIS  20  -1.869 -13.720 -15.398
  151    HE2  HIS  20           HE2      HIS  20  -1.876 -11.589 -16.758
  152    HA   PRO  21           HA       PRO  21  -2.967  -7.057  -9.153
  153   1HB   PRO  21          1HB       PRO  21  -5.659  -7.379  -9.375
  154   2HB   PRO  21          2HB       PRO  21  -4.766  -6.112 -10.220
  155   1HG   PRO  21          1HG       PRO  21  -6.081  -8.470 -11.309
  156   2HG   PRO  21          2HG       PRO  21  -5.424  -7.067 -12.163
  157   1HD   PRO  21          1HD       PRO  21  -4.234  -9.710 -11.760
  158   2HD   PRO  21          2HD       PRO  21  -3.736  -8.402 -12.861
  159    H    ILE  22           H        ILE  22  -2.945  -7.985  -7.183
  160    HA   ILE  22           HA       ILE  22  -3.308 -10.803  -6.897
  161    HB   ILE  22           HB       ILE  22  -2.968  -8.742  -4.703
  162   1HG1  ILE  22          2HG1      ILE  22  -0.840 -10.489  -5.970
  163   2HG1  ILE  22          1HG1      ILE  22  -1.140  -8.825  -6.469
  164   1HG2  ILE  22          1HG2      ILE  22  -2.841 -10.431  -3.203
  165   2HG2  ILE  22          2HG2      ILE  22  -2.006 -11.504  -4.324
  166   3HG2  ILE  22          3HG2      ILE  22  -3.760 -11.331  -4.411
  167   1HD1  ILE  22          1HD1      ILE  22  -0.003  -9.846  -3.902
  168   2HD1  ILE  22          2HD1      ILE  22  -0.743  -8.248  -3.991
  169   3HD1  ILE  22          3HD1      ILE  22   0.642  -8.636  -5.011
  170    H    SER  23           H        SER  23  -4.972  -8.084  -5.251
  171    HA   SER  23           HA       SER  23  -7.462  -9.625  -5.403
  172   1HB   SER  23          2HB       SER  23  -7.933  -9.023  -3.000
  173   2HB   SER  23          1HB       SER  23  -6.612 -10.172  -3.222
  174    HG   SER  23           HG       SER  23  -5.183  -8.677  -2.639
  175    H    MET  24           H        MET  24  -9.354  -8.438  -5.326
  176    HA   MET  24           HA       MET  24  -9.061  -5.588  -5.946
  177   1HB   MET  24          1HB       MET  24 -10.253  -7.151  -7.529
  178   2HB   MET  24          2HB       MET  24 -11.493  -7.347  -6.299
  179   1HG   MET  24          2HG       MET  24 -10.786  -4.595  -7.156
  180   2HG   MET  24          1HG       MET  24 -11.722  -5.602  -8.251
  181   1HE   MET  24          1HE       MET  24 -13.758  -6.757  -7.731
  182   2HE   MET  24          2HE       MET  24 -15.058  -6.069  -6.756
  183   3HE   MET  24          3HE       MET  24 -13.910  -7.197  -6.030
  184    H    ALA  25           H        ALA  25  -9.459  -4.182  -4.359
  185    HA   ALA  25           HA       ALA  25 -11.281  -5.008  -2.191
  186   1HB   ALA  25          1HB       ALA  25  -8.574  -4.186  -2.075
  187   2HB   ALA  25          2HB       ALA  25  -9.652  -4.628  -0.751
  188   3HB   ALA  25          3HB       ALA  25  -9.558  -2.951  -1.290
  189    H    VAL  26           H        VAL  26 -12.592  -3.503  -1.232
  190    HA   VAL  26           HA       VAL  26 -13.219  -1.152  -2.894
  191    HB   VAL  26           HB       VAL  26 -14.896  -2.407  -0.699
  192   1HG1  VAL  26          1HG2      VAL  26 -15.287  -0.099  -2.536
  193   2HG1  VAL  26          2HG2      VAL  26 -15.785  -0.305  -0.856
  194   3HG1  VAL  26          3HG2      VAL  26 -16.685  -1.102  -2.147
  195   1HG2  VAL  26          1HG1      VAL  26 -15.435  -4.002  -2.148
  196   2HG2  VAL  26          2HG1      VAL  26 -14.441  -3.258  -3.400
  197   3HG2  VAL  26          3HG1      VAL  26 -16.122  -2.765  -3.200
  198    H    ALA  27           H        ALA  27 -13.002   0.905  -2.110
  199    HA   ALA  27           HA       ALA  27 -11.457   1.322   0.257
  200   1HB   ALA  27          1HB       ALA  27 -11.108   3.404  -0.515
  201   2HB   ALA  27          2HB       ALA  27 -12.807   3.655  -0.921
  202   3HB   ALA  27          3HB       ALA  27 -11.766   2.738  -2.012
  203    H    LEU  28           H        LEU  28 -12.041   1.857   2.243
  204    HA   LEU  28           HA       LEU  28 -14.877   1.911   2.888
  205   1HB   LEU  28          2HB       LEU  28 -12.397   1.589   4.562
  206   2HB   LEU  28          1HB       LEU  28 -14.002   1.721   5.257
  207    HG   LEU  28           HG       LEU  28 -13.196  -0.446   3.316
  208   1HD1  LEU  28          1HD2      LEU  28 -13.612  -1.243   6.077
  209   2HD1  LEU  28          2HD2      LEU  28 -12.240  -0.152   5.883
  210   3HD1  LEU  28          3HD2      LEU  28 -12.309  -1.655   4.963
  211   1HD2  LEU  28          1HD1      LEU  28 -15.210  -1.537   4.552
  212   2HD2  LEU  28          2HD1      LEU  28 -15.502  -0.383   3.251
  213   3HD2  LEU  28          3HD1      LEU  28 -15.641   0.131   4.933
  214    H    GLN  29           H        GLN  29 -12.152   4.095   2.816
  215    HA   GLN  29           HA       GLN  29 -13.926   6.257   3.618
  216   1HB   GLN  29          1HB       GLN  29 -12.357   7.155   5.291
  217   2HB   GLN  29          2HB       GLN  29 -12.984   5.580   5.750
  218   1HG   GLN  29          2HG       GLN  29 -10.921   4.517   5.119
  219   2HG   GLN  29          1HG       GLN  29 -10.290   6.039   4.490
  220   1HE2  GLN  29          1HE2      GLN  29  -8.970   7.074   5.786
  221   2HE2  GLN  29          2HE2      GLN  29  -8.940   6.975   7.508
  222    H    ASP  30           H        ASP  30 -12.338   8.377   3.769
  223    HA   ASP  30           HA       ASP  30 -11.288   8.625   1.065
  224   1HB   ASP  30          2HB       ASP  30 -11.800  10.701   3.207
  225   2HB   ASP  30          1HB       ASP  30 -11.250  11.056   1.572
  226    H    TYR  31           H        TYR  31  -9.253   9.501   0.585
  227    HA   TYR  31           HA       TYR  31  -7.276   9.829   2.679
  228   1HB   TYR  31          2HB       TYR  31  -7.368   7.331   1.988
  229   2HB   TYR  31          1HB       TYR  31  -6.669   7.869   0.468
  230    HD1  TYR  31           HD1      TYR  31  -4.361   8.105   0.253
  231    HD2  TYR  31           HD2      TYR  31  -6.062   7.945   4.151
  232    HE1  TYR  31           HE1      TYR  31  -2.106   8.016   1.226
  233    HE2  TYR  31           HE2      TYR  31  -3.809   7.855   5.134
  234    HH   TYR  31           HH       TYR  31  -1.066   8.662   3.526
  235    H    MET  32           H        MET  32  -5.718  11.275   2.101
  236    HA   MET  32           HA       MET  32  -5.689  12.174  -0.706
  237   1HB   MET  32          2HB       MET  32  -5.219  13.781   1.810
  238   2HB   MET  32          1HB       MET  32  -4.976  14.394   0.180
  239   1HG   MET  32          1HG       MET  32  -7.596  13.381   1.261
  240   2HG   MET  32          2HG       MET  32  -7.119  15.071   1.183
  241   1HE   MET  32          1HE       MET  32  -9.923  13.833  -0.408
  242   2HE   MET  32          2HE       MET  32  -9.745  15.161  -1.553
  243   3HE   MET  32          3HE       MET  32  -9.369  15.410   0.152
  244    H    ALA  33           H        ALA  33  -3.763  12.331  -1.740
  245    HA   ALA  33           HA       ALA  33  -1.441  11.237  -0.330
  246   1HB   ALA  33          1HB       ALA  33  -1.864   9.994  -2.246
  247   2HB   ALA  33          2HB       ALA  33  -0.545  11.063  -2.722
  248   3HB   ALA  33          3HB       ALA  33  -2.197  11.427  -3.218
  249    HA   PRO  34           HA       PRO  34   0.196  15.488  -0.483
  250   1HB   PRO  34          2HB       PRO  34   2.317  14.507   1.252
  251   2HB   PRO  34          1HB       PRO  34   1.068  15.702   1.601
  252   1HG   PRO  34          2HG       PRO  34   1.123  13.266   2.770
  253   2HG   PRO  34          1HG       PRO  34  -0.392  14.126   2.423
  254   1HD   PRO  34          2HD       PRO  34   0.930  11.917   0.876
  255   2HD   PRO  34          1HD       PRO  34  -0.779  12.120   1.311
  256    H    ASP  35           H        ASP  35   2.482  12.751  -0.274
  257    HA   ASP  35           HA       ASP  35   4.247  14.007  -2.220
  258   1HB   ASP  35          2HB       ASP  35   4.998  12.884  -0.031
  259   2HB   ASP  35          1HB       ASP  35   4.698  11.365  -0.863
  260    H    CYS  36           H        CYS  36   5.150  12.692  -3.979
  261    HA   CYS  36           HA       CYS  36   3.184  11.662  -5.703
  262   1HB   CYS  36          1HB       CYS  36   5.076  11.004  -7.147
  263   2HB   CYS  36          2HB       CYS  36   5.270  12.641  -6.526
  264    H    ARG  37           H        ARG  37   5.169  10.132  -3.316
  265    HA   ARG  37           HA       ARG  37   5.075   7.476  -4.251
  266   1HB   ARG  37          2HB       ARG  37   6.474   8.786  -2.399
  267   2HB   ARG  37          1HB       ARG  37   5.265   8.063  -1.351
  268   1HG   ARG  37          1HG       ARG  37   6.544   6.238  -3.266
  269   2HG   ARG  37          2HG       ARG  37   7.583   6.905  -2.009
  270   1HD   ARG  37          1HD       ARG  37   5.942   6.149  -0.314
  271   2HD   ARG  37          2HD       ARG  37   5.007   5.393  -1.603
  272    HE   ARG  37           HE       ARG  37   7.713   4.498  -1.600
  273   1HH1  ARG  37          1HH1      ARG  37   4.647   4.056   0.047
  274   2HH1  ARG  37          2HH1      ARG  37   5.013   2.436   0.531
  275   1HH2  ARG  37          1HH2      ARG  37   8.168   2.378  -0.955
  276   2HH2  ARG  37          2HH2      ARG  37   7.003   1.489  -0.034
  277    H    PHE  38           H        PHE  38   2.805   9.381  -2.328
  278    HA   PHE  38           HA       PHE  38   1.307   6.987  -1.598
  279   1HB   PHE  38          2HB       PHE  38   0.721   9.891  -0.982
  280   2HB   PHE  38          1HB       PHE  38  -0.168   8.514  -0.346
  281    HD1  PHE  38           HD1      PHE  38   0.848   7.052   1.353
  282    HD2  PHE  38           HD2      PHE  38   2.872  10.502  -0.113
  283    HE1  PHE  38           HE1      PHE  38   2.380   6.967   3.271
  284    HE2  PHE  38           HE2      PHE  38   4.411  10.414   1.801
  285    HZ   PHE  38           HZ       PHE  38   4.167   8.645   3.496
  286    H    LEU  39           H        LEU  39  -1.143   7.092  -1.857
  287    HA   LEU  39           HA       LEU  39  -1.849   8.115  -4.540
  288   1HB   LEU  39          1HB       LEU  39  -1.475   5.688  -4.564
  289   2HB   LEU  39          2HB       LEU  39  -2.642   5.485  -3.279
  290    HG   LEU  39           HG       LEU  39  -4.426   6.293  -4.820
  291   1HD1  LEU  39          1HD2      LEU  39  -3.077   7.616  -6.354
  292   2HD1  LEU  39          2HD2      LEU  39  -3.958   6.360  -7.227
  293   3HD1  LEU  39          3HD2      LEU  39  -2.237   6.160  -6.893
  294   1HD2  LEU  39          1HD1      LEU  39  -3.432   4.122  -6.426
  295   2HD2  LEU  39          2HD1      LEU  39  -4.781   4.154  -5.289
  296   3HD2  LEU  39          3HD1      LEU  39  -3.149   3.814  -4.712
  297    H    THR  40           H        THR  40  -3.792   9.140  -4.757
  298    HA   THR  40           HA       THR  40  -5.302   9.683  -2.320
  299    HB   THR  40           HB       THR  40  -5.695  10.844  -5.094
  300    HG1  THR  40           HG1      THR  40  -4.040  11.596  -2.957
  301   1HG2  THR  40          1HG2      THR  40  -7.070  12.444  -4.215
  302   2HG2  THR  40          2HG2      THR  40  -6.407  12.285  -2.587
  303   3HG2  THR  40          3HG2      THR  40  -7.513  11.061  -3.215
  304    H    ILE  41           H        ILE  41  -7.061   8.594  -1.798
  305    HA   ILE  41           HA       ILE  41  -8.647   7.286  -3.921
  306    HB   ILE  41           HB       ILE  41  -8.011   6.140  -1.180
  307   1HG1  ILE  41          1HG1      ILE  41  -7.152   5.117  -3.900
  308   2HG1  ILE  41          2HG1      ILE  41  -6.133   6.123  -2.877
  309   1HG2  ILE  41          1HG2      ILE  41  -9.602   4.977  -3.476
  310   2HG2  ILE  41          2HG2      ILE  41 -10.237   5.490  -1.912
  311   3HG2  ILE  41          3HG2      ILE  41  -9.146   4.108  -2.011
  312   1HD1  ILE  41          1HD1      ILE  41  -6.566   4.259  -1.107
  313   2HD1  ILE  41          2HD1      ILE  41  -5.365   4.027  -2.378
  314   3HD1  ILE  41          3HD1      ILE  41  -6.960   3.287  -2.525
  315    H    HIS  42           H        HIS  42 -10.889   7.189  -3.603
  316    HA   HIS  42           HA       HIS  42 -11.931   8.883  -1.426
  317   1HB   HIS  42          2HB       HIS  42 -13.018   8.428  -4.212
  318   2HB   HIS  42          1HB       HIS  42 -13.905   9.263  -2.942
  319    HD1  HIS  42           HD1      HIS  42 -12.243  11.323  -1.856
  320    HD2  HIS  42           HD2      HIS  42 -11.805  10.203  -5.832
  321    HE1  HIS  42           HE1      HIS  42 -11.113  13.267  -2.980
  322    HE2  HIS  42           HE2      HIS  42 -10.969  12.614  -5.409
  323    H    ARG  43           H        ARG  43 -13.904   8.265  -0.448
  324    HA   ARG  43           HA       ARG  43 -14.107   5.539   0.194
  325   1HB   ARG  43          2HB       ARG  43 -14.789   7.425   1.662
  326   2HB   ARG  43          1HB       ARG  43 -16.163   7.719   0.610
  327   1HG   ARG  43          1HG       ARG  43 -17.032   5.488   1.143
  328   2HG   ARG  43          2HG       ARG  43 -15.665   5.226   2.224
  329   1HD   ARG  43          2HD       ARG  43 -17.617   5.904   3.495
  330   2HD   ARG  43          1HD       ARG  43 -16.373   7.148   3.574
  331    HE   ARG  43           HE       ARG  43 -17.829   8.593   2.582
  332   1HH1  ARG  43          1HH1      ARG  43 -19.000   5.344   1.938
  333   2HH1  ARG  43          2HH1      ARG  43 -20.433   5.898   1.141
  334   1HH2  ARG  43          1HH2      ARG  43 -19.715   9.292   1.536
  335   2HH2  ARG  43          2HH2      ARG  43 -20.837   8.128   0.915
  336    H    GLY  44           H        GLY  44 -14.986   3.904  -0.892
  337   1HA   GLY  44          2HA       GLY  44 -16.874   2.840  -1.885
  338   2HA   GLY  44          1HA       GLY  44 -17.397   4.397  -2.499
  339    H    GLN  45           H        GLN  45 -14.235   4.468  -3.231
  340    HA   GLN  45           HA       GLN  45 -14.742   3.729  -5.971
  341   1HB   GLN  45          1HB       GLN  45 -12.293   4.819  -4.594
  342   2HB   GLN  45          2HB       GLN  45 -12.328   4.411  -6.304
  343   1HG   GLN  45          1HG       GLN  45 -14.292   6.000  -6.496
  344   2HG   GLN  45          2HG       GLN  45 -13.874   6.544  -4.871
  345   1HE2  GLN  45          1HE2      GLN  45 -13.555   7.302  -7.993
  346   2HE2  GLN  45          2HE2      GLN  45 -12.056   8.162  -7.961
  347    H    VAL  46           H        VAL  46 -13.552   2.253  -7.216
  348    HA   VAL  46           HA       VAL  46 -12.872  -0.190  -5.788
  349    HB   VAL  46           HB       VAL  46 -12.804   0.233  -8.780
  350   1HG1  VAL  46          1HG1      VAL  46 -13.478  -2.261  -8.629
  351   2HG1  VAL  46          2HG1      VAL  46 -12.864  -2.150  -6.978
  352   3HG1  VAL  46          3HG1      VAL  46 -11.800  -1.800  -8.341
  353   1HG2  VAL  46          1HG2      VAL  46 -15.061   0.653  -7.312
  354   2HG2  VAL  46          2HG2      VAL  46 -15.192  -1.064  -7.691
  355   3HG2  VAL  46          3HG2      VAL  46 -15.030   0.117  -8.992
  356    H    VAL  47           H        VAL  47 -10.824  -0.698  -5.265
  357    HA   VAL  47           HA       VAL  47  -8.636   0.481  -6.854
  358    HB   VAL  47           HB       VAL  47  -8.502   0.001  -3.869
  359   1HG1  VAL  47          1HG1      VAL  47  -6.407   1.014  -3.896
  360   2HG1  VAL  47          2HG1      VAL  47  -6.674   1.749  -5.478
  361   3HG1  VAL  47          3HG1      VAL  47  -6.391   0.013  -5.348
  362   1HG2  VAL  47          1HG2      VAL  47  -9.808   2.114  -5.236
  363   2HG2  VAL  47          2HG2      VAL  47  -8.341   2.767  -4.508
  364   3HG2  VAL  47          3HG2      VAL  47  -9.528   1.934  -3.504
  365    H    TYR  48           H        TYR  48  -7.319  -0.960  -7.731
  366    HA   TYR  48           HA       TYR  48  -7.398  -3.739  -6.831
  367   1HB   TYR  48          2HB       TYR  48  -6.305  -2.450  -9.340
  368   2HB   TYR  48          1HB       TYR  48  -6.013  -4.130  -8.937
  369    HD1  TYR  48           HD1      TYR  48  -7.245  -5.573 -10.191
  370    HD2  TYR  48           HD2      TYR  48  -9.066  -1.914  -9.009
  371    HE1  TYR  48           HE1      TYR  48  -9.308  -6.229 -11.352
  372    HE2  TYR  48           HE2      TYR  48 -11.133  -2.567 -10.162
  373    HH   TYR  48           HH       TYR  48 -12.050  -5.326 -10.884
  374    H    VAL  49           H        VAL  49  -5.762  -4.652  -5.714
  375    HA   VAL  49           HA       VAL  49  -3.390  -3.033  -5.163
  376    HB   VAL  49           HB       VAL  49  -4.191  -5.682  -3.924
  377   1HG1  VAL  49          1HG1      VAL  49  -2.277  -5.638  -2.786
  378   2HG1  VAL  49          2HG1      VAL  49  -2.528  -3.959  -2.309
  379   3HG1  VAL  49          3HG1      VAL  49  -1.751  -4.331  -3.849
  380   1HG2  VAL  49          1HG2      VAL  49  -5.431  -3.207  -3.595
  381   2HG2  VAL  49          2HG2      VAL  49  -4.383  -3.380  -2.186
  382   3HG2  VAL  49          3HG2      VAL  49  -5.586  -4.620  -2.550
  383    H    PHE  50           H        PHE  50  -1.470  -3.401  -6.067
  384    HA   PHE  50           HA       PHE  50  -1.124  -5.844  -7.660
  385   1HB   PHE  50          2HB       PHE  50   0.016  -3.074  -7.957
  386   2HB   PHE  50          1HB       PHE  50   0.738  -4.456  -8.770
  387    HD1  PHE  50           HD1      PHE  50  -2.522  -2.668  -8.406
  388    HD2  PHE  50           HD2      PHE  50  -0.018  -5.097 -10.848
  389    HE1  PHE  50           HE1      PHE  50  -4.109  -2.429 -10.270
  390    HE2  PHE  50           HE2      PHE  50  -1.603  -4.860 -12.714
  391    HZ   PHE  50           HZ       PHE  50  -3.651  -3.524 -12.426
  392    H    SER  51           H        SER  51   0.374  -3.846  -5.168
  393    HA   SER  51           HA       SER  51   2.270  -6.036  -4.690
  394   1HB   SER  51          2HB       SER  51   4.060  -4.377  -4.211
  395   2HB   SER  51          1HB       SER  51   3.556  -4.394  -5.899
  396    HG   SER  51           HG       SER  51   3.766  -2.283  -4.639
  397    H    LYS  52           H        LYS  52   2.826  -6.463  -2.630
  398    HA   LYS  52           HA       LYS  52   1.663  -4.782  -0.496
  399   1HB   LYS  52          2HB       LYS  52   1.892  -7.791  -0.321
  400   2HB   LYS  52          1HB       LYS  52   1.066  -6.716   0.784
  401   1HG   LYS  52          1HG       LYS  52  -0.640  -6.262  -0.860
  402   2HG   LYS  52          2HG       LYS  52   0.222  -7.224  -2.057
  403   1HD   LYS  52          1HD       LYS  52  -0.123  -9.213  -0.731
  404   2HD   LYS  52          2HD       LYS  52  -0.873  -8.259   0.550
  405   1HE   LYS  52          1HE       LYS  52  -1.914  -8.604  -2.259
  406   2HE   LYS  52          2HE       LYS  52  -2.548  -9.366  -0.807
  407   1HZ   LYS  52          1HZ       LYS  52  -3.266  -6.912  -1.867
  408   2HZ   LYS  52          2HZ       LYS  52  -2.455  -6.588  -0.419
  409   3HZ   LYS  52          3HZ       LYS  52  -3.801  -7.611  -0.422
  410    H    LEU  53           H        LEU  53   3.369  -3.858   0.526
  411    HA   LEU  53           HA       LEU  53   5.995  -4.939   0.400
  412   1HB   LEU  53          1HB       LEU  53   4.926  -2.797   2.241
  413   2HB   LEU  53          2HB       LEU  53   6.621  -3.138   1.941
  414    HG   LEU  53           HG       LEU  53   4.644  -2.083  -0.097
  415   1HD1  LEU  53          1HD2      LEU  53   6.079  -0.759   1.923
  416   2HD1  LEU  53          2HD2      LEU  53   5.187  -0.045   0.580
  417   3HD1  LEU  53          3HD2      LEU  53   6.907  -0.403   0.405
  418   1HD2  LEU  53          1HD1      LEU  53   7.259  -3.311  -0.398
  419   2HD2  LEU  53          2HD1      LEU  53   7.205  -1.674  -1.050
  420   3HD2  LEU  53          3HD1      LEU  53   6.060  -2.888  -1.622
  421    H    LYS  54           H        LYS  54   7.356  -5.584   2.176
  422    HA   LYS  54           HA       LYS  54   6.000  -6.705   4.534
  423   1HB   LYS  54          2HB       LYS  54   7.850  -8.266   2.708
  424   2HB   LYS  54          1HB       LYS  54   7.298  -8.815   4.276
  425   1HG   LYS  54          1HG       LYS  54   5.246  -8.088   2.265
  426   2HG   LYS  54          2HG       LYS  54   6.143  -9.591   2.045
  427   1HD   LYS  54          2HD       LYS  54   4.678  -8.839   4.574
  428   2HD   LYS  54          1HD       LYS  54   4.011  -9.858   3.298
  429   1HE   LYS  54          1HE       LYS  54   5.766 -11.488   3.626
  430   2HE   LYS  54          2HE       LYS  54   6.541 -10.452   4.823
  431   1HZ   LYS  54          1HZ       LYS  54   5.001 -12.390   5.570
  432   2HZ   LYS  54          2HZ       LYS  54   3.754 -11.297   5.236
  433   3HZ   LYS  54          3HZ       LYS  54   4.935 -10.905   6.381
  434    H    GLY  55           H        GLY  55   7.411  -7.133   6.316
  435   1HA   GLY  55          2HA       GLY  55   9.671  -7.172   7.223
  436   2HA   GLY  55          1HA       GLY  55  10.087  -5.906   6.080
  437    H    ARG  56           H        ARG  56   9.927  -3.836   6.691
  438    HA   ARG  56           HA       ARG  56   9.214  -3.288   9.446
  439   1HB   ARG  56          1HB       ARG  56  10.336  -1.492   7.288
  440   2HB   ARG  56          2HB       ARG  56  10.094  -1.019   8.963
  441   1HG   ARG  56          1HG       ARG  56  11.690  -2.721   9.681
  442   2HG   ARG  56          2HG       ARG  56  11.928  -3.206   8.002
  443   1HD   ARG  56          2HD       ARG  56  12.765  -0.968   7.473
  444   2HD   ARG  56          1HD       ARG  56  12.522  -0.479   9.148
  445    HE   ARG  56           HE       ARG  56  14.503  -1.474   9.670
  446   1HH1  ARG  56          1HH1      ARG  56  13.451  -2.819   6.600
  447   2HH1  ARG  56          2HH1      ARG  56  14.889  -3.761   6.393
  448   1HH2  ARG  56          1HH2      ARG  56  16.377  -2.714   9.372
  449   2HH2  ARG  56          2HH2      ARG  56  16.542  -3.701   7.959
  450    H    GLY  57           H        GLY  57   7.854  -2.885   6.290
  451   1HA   GLY  57          1HA       GLY  57   5.563  -1.471   7.499
  452   2HA   GLY  57          2HA       GLY  57   6.227  -0.955   5.957
  453    H    ARG  58           H        ARG  58   5.246  -4.057   7.433
  454    HA   ARG  58           HA       ARG  58   4.327  -5.107   4.947
  455   1HB   ARG  58          1HB       ARG  58   3.407  -6.968   6.364
  456   2HB   ARG  58          2HB       ARG  58   5.133  -6.687   6.520
  457   1HG   ARG  58          2HG       ARG  58   3.867  -5.117   8.481
  458   2HG   ARG  58          1HG       ARG  58   3.125  -6.717   8.537
  459   1HD   ARG  58          2HD       ARG  58   6.094  -6.247   8.511
  460   2HD   ARG  58          1HD       ARG  58   5.150  -6.430   9.991
  461    HE   ARG  58           HE       ARG  58   4.629  -8.617   8.319
  462   1HH1  ARG  58          1HH1      ARG  58   7.284  -7.313  10.206
  463   2HH1  ARG  58          2HH1      ARG  58   8.006  -8.864  10.473
  464   1HH2  ARG  58          1HH2      ARG  58   5.591 -10.640   8.681
  465   2HH2  ARG  58          2HH2      ARG  58   7.049 -10.746   9.610
  466    H    LEU  59           H        LEU  59   2.947  -2.977   7.150
  467    HA   LEU  59           HA       LEU  59   0.196  -3.717   6.558
  468   1HB   LEU  59          1HB       LEU  59   1.330  -1.456   8.216
  469   2HB   LEU  59          2HB       LEU  59  -0.375  -1.824   8.054
  470    HG   LEU  59           HG       LEU  59   1.625  -3.761   9.216
  471   1HD1  LEU  59          1HD2      LEU  59  -0.059  -1.666  10.559
  472   2HD1  LEU  59          2HD2      LEU  59   1.683  -1.912  10.677
  473   3HD1  LEU  59          3HD2      LEU  59   0.577  -3.074  11.410
  474   1HD2  LEU  59          1HD1      LEU  59  -1.074  -4.026   8.416
  475   2HD2  LEU  59          2HD1      LEU  59  -1.039  -4.063  10.179
  476   3HD2  LEU  59          3HD1      LEU  59  -0.060  -5.202   9.254
  477    H    PHE  60           H        PHE  60   2.489  -2.263   4.825
  478    HA   PHE  60           HA       PHE  60   0.705  -0.189   3.737
  479   1HB   PHE  60          2HB       PHE  60   3.715  -0.414   3.680
  480   2HB   PHE  60          1HB       PHE  60   2.827   0.723   2.675
  481    HD1  PHE  60           HD1      PHE  60   2.148   2.790   3.516
  482    HD2  PHE  60           HD2      PHE  60   3.490  -0.221   6.211
  483    HE1  PHE  60           HE1      PHE  60   2.166   4.436   5.343
  484    HE2  PHE  60           HE2      PHE  60   3.504   1.422   8.042
  485    HZ   PHE  60           HZ       PHE  60   2.842   3.753   7.609
  486    H    TRP  61           H        TRP  61  -0.267  -0.637   1.924
  487    HA   TRP  61           HA       TRP  61   0.918  -2.598   0.071
  488   1HB   TRP  61          2HB       TRP  61  -1.968  -1.885   0.642
  489   2HB   TRP  61          1HB       TRP  61  -1.484  -2.830  -0.757
  490    HD1  TRP  61           HD1      TRP  61   0.757  -4.141   1.725
  491    HE1  TRP  61           HE1      TRP  61  -0.188  -6.228   2.877
  492    HE3  TRP  61           HE3      TRP  61  -4.160  -3.666   0.401
  493    HZ2  TRP  61           HZ2      TRP  61  -2.676  -7.499   3.219
  494    HZ3  TRP  61           HZ3      TRP  61  -5.752  -5.360   1.193
  495    HH2  TRP  61           HH2      TRP  61  -5.034  -7.235   2.571
  496    H    GLY  62           H        GLY  62  -0.342  -2.154  -2.247
  497   1HA   GLY  62          2HA       GLY  62  -0.619   0.626  -2.914
  498   2HA   GLY  62          1HA       GLY  62   0.964  -0.026  -3.422
  499    H    GLY  63           H        GLY  63  -1.016   1.021  -5.162
  500   1HA   GLY  63          1HA       GLY  63  -1.018  -0.841  -7.216
  501   2HA   GLY  63          2HA       GLY  63  -2.559  -1.022  -6.392
  502    H    SER  64           H        SER  64  -3.763  -0.319  -8.139
  503    HA   SER  64           HA       SER  64  -3.607   2.574  -8.684
  504   1HB   SER  64          1HB       SER  64  -4.266   2.144 -11.015
  505   2HB   SER  64          2HB       SER  64  -2.747   1.333 -10.631
  506    HG   SER  64           HG       SER  64  -4.017  -0.139 -11.684
  507    H    VAL  65           H        VAL  65  -5.710   3.466  -9.524
  508    HA   VAL  65           HA       VAL  65  -7.966   2.109  -8.191
  509    HB   VAL  65           HB       VAL  65  -7.634   5.073  -8.723
  510   1HG1  VAL  65          1HG2      VAL  65  -9.954   3.523  -8.131
  511   2HG1  VAL  65          2HG2      VAL  65  -9.813   5.269  -8.333
  512   3HG1  VAL  65          3HG2      VAL  65  -9.586   4.546  -6.742
  513   1HG2  VAL  65          1HG1      VAL  65  -6.327   3.647  -6.821
  514   2HG2  VAL  65          2HG1      VAL  65  -7.794   4.109  -5.956
  515   3HG2  VAL  65          3HG1      VAL  65  -6.765   5.349  -6.671
  516    H    GLN  66           H        GLN  66  -9.492   1.315  -9.455
  517    HA   GLN  66           HA       GLN  66  -9.702   2.188 -12.240
  518   1HB   GLN  66          2HB       GLN  66  -9.604  -0.239 -11.758
  519   2HB   GLN  66          1HB       GLN  66 -11.070  -0.100 -10.798
  520   1HG   GLN  66          2HG       GLN  66 -12.309   0.590 -12.791
  521   2HG   GLN  66          1HG       GLN  66 -10.842   0.430 -13.756
  522   1HE2  GLN  66          1HE2      GLN  66 -10.610  -1.411 -14.791
  523   2HE2  GLN  66          2HE2      GLN  66 -11.356  -2.915 -14.381
  524    H    GLY  67           H        GLY  67 -11.484   3.197 -13.087
  525   1HA   GLY  67          1HA       GLY  67 -14.036   3.378 -12.515
  526   2HA   GLY  67          2HA       GLY  67 -13.398   4.269 -11.142
  527    H    ASP  68           H        ASP  68 -11.396   5.741 -12.230
  528    HA   ASP  68           HA       ASP  68 -12.814   7.434 -14.184
  529   1HB   ASP  68          2HB       ASP  68 -10.883   8.242 -11.998
  530   2HB   ASP  68          1HB       ASP  68 -11.523   9.339 -13.216
  531    H    TYR  69           H        TYR  69 -11.830   7.927 -16.045
  532    HA   TYR  69           HA       TYR  69  -8.944   7.506 -16.306
  533   1HB   TYR  69          2HB       TYR  69 -10.197   5.444 -17.070
  534   2HB   TYR  69          1HB       TYR  69 -10.923   6.430 -18.331
  535    HD1  TYR  69           HD1      TYR  69  -7.451   5.810 -17.020
  536    HD2  TYR  69           HD2      TYR  69 -10.000   6.144 -20.414
  537    HE1  TYR  69           HE1      TYR  69  -5.543   5.334 -18.494
  538    HE2  TYR  69           HE2      TYR  69  -8.096   5.668 -21.895
  539    HH   TYR  69           HH       TYR  69  -5.580   4.259 -21.264
  540    H    TYR  70           H        TYR  70  -9.040   9.846 -16.174
  541    HA   TYR  70           HA       TYR  70  -9.771  11.093 -18.740
  542   1HB   TYR  70          2HB       TYR  70  -9.905  12.277 -15.963
  543   2HB   TYR  70          1HB       TYR  70 -10.038  13.235 -17.431
  544    HD1  TYR  70           HD1      TYR  70 -12.093  13.462 -18.542
  545    HD2  TYR  70           HD2      TYR  70 -11.681  10.498 -15.515
  546    HE1  TYR  70           HE1      TYR  70 -14.522  13.084 -18.588
  547    HE2  TYR  70           HE2      TYR  70 -14.108  10.109 -15.559
  548    HH   TYR  70           HH       TYR  70 -16.262  12.047 -16.600
  549    H    GLY  71           H        GLY  71  -7.327  10.355 -16.549
  550   1HA   GLY  71          1HA       GLY  71  -5.283  11.478 -18.171
  551   2HA   GLY  71          2HA       GLY  71  -5.518  12.448 -16.724
  552    H    ASP  72           H        ASP  72  -4.352   9.482 -18.038
  553    HA   ASP  72           HA       ASP  72  -3.036   7.816 -17.291
  554   1HB   ASP  72          1HB       ASP  72  -2.315   9.843 -15.169
  555   2HB   ASP  72          2HB       ASP  72  -1.485   8.305 -15.380
  556    H    LEU  73           H        LEU  73  -3.552   8.873 -13.963
  557    HA   LEU  73           HA       LEU  73  -4.513   7.942 -12.156
  558   1HB   LEU  73          1HB       LEU  73  -6.496   7.961 -14.099
  559   2HB   LEU  73          2HB       LEU  73  -6.550   6.328 -13.475
  560    HG   LEU  73           HG       LEU  73  -8.163   7.770 -12.342
  561   1HD1  LEU  73          1HD2      LEU  73  -6.165   7.339 -10.202
  562   2HD1  LEU  73          2HD2      LEU  73  -6.649   5.937 -11.157
  563   3HD1  LEU  73          3HD2      LEU  73  -7.864   6.871 -10.284
  564   1HD2  LEU  73          1HD1      LEU  73  -5.959   9.319 -11.055
  565   2HD2  LEU  73          2HD1      LEU  73  -7.671   9.714 -11.206
  566   3HD2  LEU  73          3HD1      LEU  73  -6.612   9.830 -12.611
  567    H    ALA  74           H        ALA  74  -5.276   5.208 -14.329
  568    HA   ALA  74           HA       ALA  74  -4.148   3.349 -12.460
  569   1HB   ALA  74          1HB       ALA  74  -6.171   2.905 -13.866
  570   2HB   ALA  74          2HB       ALA  74  -4.945   1.637 -13.900
  571   3HB   ALA  74          3HB       ALA  74  -5.093   2.758 -15.255
  572    H    ALA  75           H        ALA  75  -2.878   5.170 -15.032
  573    HA   ALA  75           HA       ALA  75  -0.907   3.373 -16.009
  574   1HB   ALA  75          1HB       ALA  75   0.214   5.633 -16.677
  575   2HB   ALA  75          2HB       ALA  75  -1.325   6.326 -16.165
  576   3HB   ALA  75          3HB       ALA  75  -1.284   5.126 -17.458
  577    H    ARG  76           H        ARG  76  -1.008   5.695 -13.379
  578    HA   ARG  76           HA       ARG  76   1.769   5.098 -12.668
  579   1HB   ARG  76          1HB       ARG  76   1.559   6.957 -11.060
  580   2HB   ARG  76          2HB       ARG  76   1.198   7.462 -12.703
  581   1HG   ARG  76          2HG       ARG  76  -1.185   7.397 -12.224
  582   2HG   ARG  76          1HG       ARG  76  -0.852   6.830 -10.587
  583   1HD   ARG  76          2HD       ARG  76   0.042   9.466 -11.747
  584   2HD   ARG  76          1HD       ARG  76  -1.327   9.239 -10.660
  585    HE   ARG  76           HE       ARG  76   0.953   8.176  -9.437
  586   1HH1  ARG  76          1HH1      ARG  76  -0.307  11.309 -10.383
  587   2HH1  ARG  76          2HH1      ARG  76   0.544  12.156  -9.137
  588   1HH2  ARG  76          1HH2      ARG  76   2.062   9.304  -7.810
  589   2HH2  ARG  76          2HH2      ARG  76   1.885  11.022  -7.681
  590    H    LEU  77           H        LEU  77   2.313   4.460 -10.508
  591    HA   LEU  77           HA       LEU  77   0.125   3.042  -9.136
  592   1HB   LEU  77          2HB       LEU  77   3.017   2.254  -9.470
  593   2HB   LEU  77          1HB       LEU  77   1.935   1.472  -8.334
  594    HG   LEU  77           HG       LEU  77   1.379   1.587 -11.300
  595   1HD1  LEU  77          1HD1      LEU  77   3.546   0.344 -10.367
  596   2HD1  LEU  77          2HD1      LEU  77   2.567  -0.301 -11.686
  597   3HD1  LEU  77          3HD1      LEU  77   2.347  -0.910 -10.045
  598   1HD2  LEU  77          1HD2      LEU  77  -0.595   1.117 -10.071
  599   2HD2  LEU  77          2HD2      LEU  77   0.253  -0.004  -9.004
  600   3HD2  LEU  77          3HD2      LEU  77  -0.015  -0.427 -10.696
  601    H    GLY  78           H        GLY  78  -0.324   3.696  -7.167
  602   1HA   GLY  78          1HA       GLY  78   1.731   5.224  -5.683
  603   2HA   GLY  78          2HA       GLY  78   0.003   5.533  -5.569
  604    H    TYR  79           H        TYR  79   1.176   5.230  -3.219
  605    HA   TYR  79           HA       TYR  79   0.512   2.470  -2.439
  606   1HB   TYR  79          2HB       TYR  79   2.689   4.222  -1.278
  607   2HB   TYR  79          1HB       TYR  79   2.241   2.632  -0.654
  608    HD1  TYR  79           HD1      TYR  79   4.158   4.435  -3.095
  609    HD2  TYR  79           HD2      TYR  79   2.535   0.615  -2.187
  610    HE1  TYR  79           HE1      TYR  79   5.665   3.426  -4.730
  611    HE2  TYR  79           HE2      TYR  79   4.040  -0.420  -3.833
  612    HH   TYR  79           HH       TYR  79   5.275   0.597  -6.083
  613    H    PHE  80           H        PHE  80  -0.601   2.125  -0.577
  614    HA   PHE  80           HA       PHE  80  -1.519   4.389   1.016
  615   1HB   PHE  80          2HB       PHE  80  -3.911   3.656   0.690
  616   2HB   PHE  80          1HB       PHE  80  -3.162   4.341  -0.749
  617    HD1  PHE  80           HD1      PHE  80  -4.380   1.233   0.822
  618    HD2  PHE  80           HD2      PHE  80  -2.800   3.011  -2.712
  619    HE1  PHE  80           HE1      PHE  80  -4.992  -0.774  -0.460
  620    HE2  PHE  80           HE2      PHE  80  -3.415   1.006  -3.995
  621    HZ   PHE  80           HZ       PHE  80  -4.511  -0.889  -2.871
  622    HA   PRO  81           HA       PRO  81  -1.394   1.338   4.283
  623   1HB   PRO  81          2HB       PRO  81  -3.691   2.534   5.643
  624   2HB   PRO  81          1HB       PRO  81  -1.997   2.509   6.136
  625   1HG   PRO  81          2HG       PRO  81  -3.237   4.772   5.339
  626   2HG   PRO  81          1HG       PRO  81  -1.513   4.476   5.043
  627   1HD   PRO  81          2HD       PRO  81  -3.837   4.182   3.170
  628   2HD   PRO  81          1HD       PRO  81  -2.232   4.883   2.871
  629    H    SER  82           H        SER  82  -2.255  -0.642   4.659
  630    HA   SER  82           HA       SER  82  -4.376  -1.617   3.091
  631   1HB   SER  82          2HB       SER  82  -4.043  -3.716   4.279
  632   2HB   SER  82          1HB       SER  82  -2.478  -2.974   3.964
  633    HG   SER  82           HG       SER  82  -2.613  -2.123   6.143
  634    H    SER  83           H        SER  83  -4.353  -0.097   6.174
  635    HA   SER  83           HA       SER  83  -6.688  -1.172   7.312
  636   1HB   SER  83          2HB       SER  83  -6.617   0.802   8.796
  637   2HB   SER  83          1HB       SER  83  -5.046   0.015   8.645
  638    HG   SER  83           HG       SER  83  -4.316   1.663   7.436
  639    H    ILE  84           H        ILE  84  -6.350   1.201   4.762
  640    HA   ILE  84           HA       ILE  84  -9.046   2.204   5.249
  641    HB   ILE  84           HB       ILE  84  -8.725   3.727   3.385
  642   1HG1  ILE  84          1HG1      ILE  84  -5.868   2.791   3.203
  643   2HG1  ILE  84          2HG1      ILE  84  -7.128   2.146   2.148
  644   1HG2  ILE  84          1HG2      ILE  84  -7.652   5.205   4.678
  645   2HG2  ILE  84          2HG2      ILE  84  -6.241   4.168   4.887
  646   3HG2  ILE  84          3HG2      ILE  84  -7.685   3.900   5.863
  647   1HD1  ILE  84          1HD1      ILE  84  -5.669   4.612   1.970
  648   2HD1  ILE  84          2HD1      ILE  84  -7.408   4.900   2.007
  649   3HD1  ILE  84          3HD1      ILE  84  -6.717   3.832   0.786
  650    H    VAL  85           H        VAL  85  -7.883  -0.497   3.736
  651    HA   VAL  85           HA       VAL  85 -10.177  -0.463   1.880
  652    HB   VAL  85           HB       VAL  85  -8.924  -1.954   0.345
  653   1HG1  VAL  85          1HG1      VAL  85  -8.693   0.814   0.666
  654   2HG1  VAL  85          2HG1      VAL  85  -8.416  -0.125  -0.800
  655   3HG1  VAL  85          3HG1      VAL  85  -7.071   0.238   0.281
  656   1HG2  VAL  85          1HG2      VAL  85  -6.343  -1.777   0.653
  657   2HG2  VAL  85          2HG2      VAL  85  -7.248  -3.005   1.540
  658   3HG2  VAL  85          3HG2      VAL  85  -6.748  -1.519   2.350
  659    H    ARG  86           H        ARG  86 -11.187  -2.438   1.407
  660    HA   ARG  86           HA       ARG  86 -10.750  -4.569   3.393
  661   1HB   ARG  86          1HB       ARG  86 -12.763  -3.195   3.913
  662   2HB   ARG  86          2HB       ARG  86 -13.424  -3.618   2.343
  663   1HG   ARG  86          1HG       ARG  86 -13.474  -5.972   2.992
  664   2HG   ARG  86          2HG       ARG  86 -12.792  -5.553   4.565
  665   1HD   ARG  86          1HD       ARG  86 -14.752  -4.158   5.035
  666   2HD   ARG  86          2HD       ARG  86 -15.431  -4.591   3.468
  667    HE   ARG  86           HE       ARG  86 -15.525  -6.134   5.858
  668   1HH1  ARG  86          1HH1      ARG  86 -15.422  -6.446   2.361
  669   2HH1  ARG  86          2HH1      ARG  86 -16.132  -8.024   2.370
  670   1HH2  ARG  86          1HH2      ARG  86 -16.456  -8.200   5.842
  671   2HH2  ARG  86          2HH2      ARG  86 -16.718  -9.015   4.336
  672    H    GLU  87           H        GLU  87 -10.120  -6.355   2.401
  673    HA   GLU  87           HA       GLU  87 -10.494  -6.732  -0.422
  674   1HB   GLU  87          1HB       GLU  87  -8.877  -7.945   1.703
  675   2HB   GLU  87          2HB       GLU  87  -9.464  -9.108   0.517
  676   1HG   GLU  87          1HG       GLU  87  -7.310  -8.355  -0.148
  677   2HG   GLU  87          2HG       GLU  87  -8.502  -7.718  -1.270
  678    H    ASP  88           H        ASP  88 -12.124  -7.672  -1.376
  679    HA   ASP  88           HA       ASP  88 -13.929  -9.362   0.206
  680   1HB   ASP  88          1HB       ASP  88 -14.398  -7.781  -2.327
  681   2HB   ASP  88          2HB       ASP  88 -15.571  -8.905  -1.650
  682    H    GLN  89           H        GLN  89 -12.078  -9.222  -2.815
  683    HA   GLN  89           HA       GLN  89 -12.245 -12.147  -2.962
  684   1HB   GLN  89          2HB       GLN  89 -14.136 -11.272  -4.320
  685   2HB   GLN  89          1HB       GLN  89 -12.985 -10.394  -5.315
  686   1HG   GLN  89          1HG       GLN  89 -12.107 -13.056  -5.300
  687   2HG   GLN  89          2HG       GLN  89 -13.857 -13.120  -5.504
  688   1HE2  GLN  89          1HE2      GLN  89 -10.988 -12.896  -7.088
  689   2HE2  GLN  89          2HE2      GLN  89 -11.520 -12.231  -8.583
  690    H    THR  90           H        THR  90 -10.511 -13.138  -3.890
  691    HA   THR  90           HA       THR  90  -8.240 -11.428  -4.638
  692    HB   THR  90           HB       THR  90  -8.219 -14.403  -4.078
  693    HG1  THR  90           HG1      THR  90  -7.777 -12.234  -2.314
  694   1HG2  THR  90          1HG2      THR  90  -5.944 -14.338  -3.969
  695   2HG2  THR  90          2HG2      THR  90  -5.900 -12.610  -3.619
  696   3HG2  THR  90          3HG2      THR  90  -6.248 -13.171  -5.255
  697    H    LEU  91           H        LEU  91  -7.749 -11.227  -6.733
  698    HA   LEU  91           HA       LEU  91  -9.221 -12.721  -8.722
  699   1HB   LEU  91          1HB       LEU  91  -7.059 -10.669  -9.168
  700   2HB   LEU  91          2HB       LEU  91  -8.301 -11.168 -10.300
  701    HG   LEU  91           HG       LEU  91  -9.066  -9.854  -7.716
  702   1HD1  LEU  91          1HD2      LEU  91  -7.579  -8.244  -8.451
  703   2HD1  LEU  91          2HD2      LEU  91  -9.107  -7.719  -9.158
  704   3HD1  LEU  91          3HD2      LEU  91  -7.918  -8.563 -10.152
  705   1HD2  LEU  91          1HD1      LEU  91 -10.672  -8.981  -9.796
  706   2HD2  LEU  91          2HD1      LEU  91 -11.074 -10.204  -8.591
  707   3HD2  LEU  91          3HD1      LEU  91 -10.392 -10.687 -10.144
  708    H    LYS  92           H        LYS  92  -5.869 -12.416  -7.704
  709    HA   LYS  92           HA       LYS  92  -5.236 -14.952  -8.953
  710   1HB   LYS  92          2HB       LYS  92  -4.911 -13.060 -10.671
  711   2HB   LYS  92          1HB       LYS  92  -3.529 -12.582  -9.701
  712   1HG   LYS  92          2HG       LYS  92  -2.250 -14.267 -10.445
  713   2HG   LYS  92          1HG       LYS  92  -3.576 -15.426 -10.408
  714   1HD   LYS  92          1HD       LYS  92  -3.277 -13.309 -12.539
  715   2HD   LYS  92          2HD       LYS  92  -2.633 -14.941 -12.693
  716   1HE   LYS  92          2HE       LYS  92  -4.891 -15.857 -12.439
  717   2HE   LYS  92          1HE       LYS  92  -5.537 -14.224 -12.288
  718   1HZ   LYS  92          1HZ       LYS  92  -5.213 -15.641 -14.608
  719   2HZ   LYS  92          2HZ       LYS  92  -3.949 -14.517 -14.637
  720   3HZ   LYS  92          3HZ       LYS  92  -5.548 -13.988 -14.482
  721    HA   PRO  93           HA       PRO  93  -2.903 -15.458  -5.161
  722   1HB   PRO  93          1HB       PRO  93  -1.161 -17.080  -6.972
  723   2HB   PRO  93          2HB       PRO  93  -1.782 -17.482  -5.372
  724   1HG   PRO  93          1HG       PRO  93  -2.926 -18.542  -7.472
  725   2HG   PRO  93          2HG       PRO  93  -3.962 -17.835  -6.211
  726   1HD   PRO  93          1HD       PRO  93  -3.135 -16.672  -8.854
  727   2HD   PRO  93          2HD       PRO  93  -4.731 -16.690  -8.089
  728    H    GLY  94           H        GLY  94  -1.378 -14.317  -4.191
  729   1HA   GLY  94          1HA       GLY  94   0.764 -13.105  -5.828
  730   2HA   GLY  94          2HA       GLY  94   0.094 -12.380  -4.373
  731    H    LYS  95           H        LYS  95   2.129 -14.908  -5.644
  732    HA   LYS  95           HA       LYS  95   3.365 -15.183  -3.002
  733   1HB   LYS  95          2HB       LYS  95   3.792 -17.651  -3.879
  734   2HB   LYS  95          1HB       LYS  95   2.339 -17.205  -2.998
  735   1HG   LYS  95          2HG       LYS  95   1.078 -17.040  -5.031
  736   2HG   LYS  95          1HG       LYS  95   2.535 -17.272  -6.000
  737   1HD   LYS  95          2HD       LYS  95   1.313 -19.336  -5.962
  738   2HD   LYS  95          1HD       LYS  95   2.769 -19.541  -4.989
  739   1HE   LYS  95          2HE       LYS  95   0.866 -20.564  -3.882
  740   2HE   LYS  95          1HE       LYS  95   1.437 -19.180  -2.951
  741   1HZ   LYS  95          1HZ       LYS  95  -1.016 -19.324  -3.180
  742   2HZ   LYS  95          2HZ       LYS  95  -0.847 -19.066  -4.842
  743   3HZ   LYS  95          3HZ       LYS  95  -0.365 -17.869  -3.750
  744    H    VAL  96           H        VAL  96   4.272 -13.503  -5.148
  745    HA   VAL  96           HA       VAL  96   6.864 -14.797  -5.722
  746    HB   VAL  96           HB       VAL  96   5.473 -12.765  -7.494
  747   1HG1  VAL  96          1HG1      VAL  96   8.072 -14.252  -7.908
  748   2HG1  VAL  96          2HG1      VAL  96   7.912 -12.535  -7.542
  749   3HG1  VAL  96          3HG1      VAL  96   7.308 -13.169  -9.075
  750   1HG2  VAL  96          1HG2      VAL  96   5.836 -15.740  -7.742
  751   2HG2  VAL  96          2HG2      VAL  96   5.495 -14.709  -9.131
  752   3HG2  VAL  96          3HG2      VAL  96   4.339 -14.808  -7.803
  753    H    ASP  97           H        ASP  97   8.255 -13.950  -4.316
  754    HA   ASP  97           HA       ASP  97   7.988 -11.235  -3.352
  755   1HB   ASP  97          2HB       ASP  97   8.644 -13.183  -1.898
  756   2HB   ASP  97          1HB       ASP  97  10.177 -13.233  -2.755
  757    H    VAL  98           H        VAL  98   8.871  -9.531  -4.289
  758    HA   VAL  98           HA       VAL  98  11.321  -9.862  -5.902
  759    HB   VAL  98           HB       VAL  98   9.150  -7.823  -6.461
  760   1HG1  VAL  98          1HG1      VAL  98  11.793  -7.896  -7.265
  761   2HG1  VAL  98          2HG1      VAL  98  10.496  -6.965  -8.016
  762   3HG1  VAL  98          3HG1      VAL  98  10.916  -8.559  -8.644
  763   1HG2  VAL  98          1HG2      VAL  98   9.091 -10.598  -7.029
  764   2HG2  VAL  98          2HG2      VAL  98   9.352  -9.744  -8.550
  765   3HG2  VAL  98          3HG2      VAL  98   7.958  -9.349  -7.544
  766    H    LYS  99           H        LYS  99  12.994  -8.585  -5.327
  767    HA   LYS  99           HA       LYS  99  12.734  -6.807  -3.063
  768   1HB   LYS  99          2HB       LYS  99  15.134  -7.336  -4.837
  769   2HB   LYS  99          1HB       LYS  99  15.163  -6.534  -3.274
  770   1HG   LYS  99          2HG       LYS  99  14.378  -8.634  -2.237
  771   2HG   LYS  99          1HG       LYS  99  14.466  -9.406  -3.818
  772   1HD   LYS  99          2HD       LYS  99  16.868  -8.034  -2.673
  773   2HD   LYS  99          1HD       LYS  99  16.446  -9.663  -2.151
  774   1HE   LYS  99          2HE       LYS  99  18.027  -9.878  -3.916
  775   2HE   LYS  99          1HE       LYS  99  16.458 -10.340  -4.569
  776   1HZ   LYS  99          1HZ       LYS  99  16.353  -8.484  -5.876
  777   2HZ   LYS  99          2HZ       LYS  99  18.024  -8.747  -5.879
  778   3HZ   LYS  99          3HZ       LYS  99  17.357  -7.563  -4.872
  779    H    THR 100           H        THR 100  13.278  -4.534  -3.072
  780    HA   THR 100           HA       THR 100  12.606  -3.233  -5.613
  781    HB   THR 100           HB       THR 100  12.221  -1.209  -4.297
  782    HG1  THR 100           HG1      THR 100  13.673  -1.320  -2.667
  783   1HG2  THR 100          1HG2      THR 100  10.930  -3.678  -3.184
  784   2HG2  THR 100          2HG2      THR 100  10.288  -2.544  -4.372
  785   3HG2  THR 100          3HG2      THR 100  10.474  -2.048  -2.690
  786    H    ASP 101           H        ASP 101  13.772  -1.248  -6.226
  787    HA   ASP 101           HA       ASP 101  16.639  -1.406  -5.554
  788   1HB   ASP 101          2HB       ASP 101  15.374  -0.692  -8.204
  789   2HB   ASP 101          1HB       ASP 101  17.099  -0.633  -7.863
  790    H    LYS 102           H        LYS 102  17.636   0.812  -6.657
  791    HA   LYS 102           HA       LYS 102  16.842   2.862  -4.878
  792   1HB   LYS 102          1HB       LYS 102  19.144   2.620  -5.465
  793   2HB   LYS 102          2HB       LYS 102  18.779   2.802  -7.164
  794   1HG   LYS 102          1HG       LYS 102  18.177   5.127  -6.827
  795   2HG   LYS 102          2HG       LYS 102  18.484   4.964  -5.098
  796   1HD   LYS 102          2HD       LYS 102  20.389   6.020  -6.109
  797   2HD   LYS 102          1HD       LYS 102  20.845   4.385  -5.634
  798   1HE   LYS 102          2HE       LYS 102  20.515   3.657  -7.966
  799   2HE   LYS 102          1HE       LYS 102  20.130   5.321  -8.406
  800   1HZ   LYS 102          1HZ       LYS 102  22.449   5.740  -7.273
  801   2HZ   LYS 102          2HZ       LYS 102  22.333   5.285  -8.897
  802   3HZ   LYS 102          3HZ       LYS 102  22.712   4.129  -7.722
  803    H    TRP 103           H        TRP 103  16.242   2.277  -8.303
  804    HA   TRP 103           HA       TRP 103  14.882   4.849  -8.547
  805   1HB   TRP 103          2HB       TRP 103  15.389   2.770 -10.691
  806   2HB   TRP 103          1HB       TRP 103  14.798   4.408 -10.944
  807    HD1  TRP 103           HD1      TRP 103  17.981   2.435 -10.379
  808    HE1  TRP 103           HE1      TRP 103  20.008   4.005 -10.567
  809    HE3  TRP 103           HE3      TRP 103  15.528   6.917 -10.564
  810    HZ2  TRP 103           HZ2      TRP 103  20.506   6.769 -10.737
  811    HZ3  TRP 103           HZ3      TRP 103  16.858   8.982 -10.743
  812    HH2  TRP 103           HH2      TRP 103  19.297   8.908 -10.835
  813    H    ASP 104           H        ASP 104  13.474   3.607  -6.819
  814    HA   ASP 104           HA       ASP 104  11.128   2.569  -8.263
  815   1HB   ASP 104          2HB       ASP 104  12.332   1.604  -5.674
  816   2HB   ASP 104          1HB       ASP 104  10.650   1.286  -6.080
  817    H    PHE 105           H        PHE 105  12.199   4.068  -5.206
  818    HA   PHE 105           HA       PHE 105   9.668   5.590  -5.170
  819   1HB   PHE 105          2HB       PHE 105  11.288   5.041  -2.687
  820   2HB   PHE 105          1HB       PHE 105   9.598   5.504  -2.812
  821    HD1  PHE 105           HD1      PHE 105   8.226   3.622  -4.340
  822    HD2  PHE 105           HD2      PHE 105  11.625   2.953  -1.869
  823    HE1  PHE 105           HE1      PHE 105   7.586   1.263  -4.091
  824    HE2  PHE 105           HE2      PHE 105  10.978   0.593  -1.617
  825    HZ   PHE 105           HZ       PHE 105   8.963  -0.254  -2.734
  826    H    TYR 106           H        TYR 106  11.225   6.882  -6.668
  827    HA   TYR 106           HA       TYR 106  12.286   9.085  -5.091
  828   1HB   TYR 106          2HB       TYR 106  14.211   7.616  -5.292
  829   2HB   TYR 106          1HB       TYR 106  13.971   7.469  -7.020
  830    HD1  TYR 106           HD1      TYR 106  16.043   8.151  -7.794
  831    HD2  TYR 106           HD2      TYR 106  13.977  10.687  -5.062
  832    HE1  TYR 106           HE1      TYR 106  17.705   9.914  -8.180
  833    HE2  TYR 106           HE2      TYR 106  15.632  12.460  -5.460
  834    HH   TYR 106           HH       TYR 106  18.563  11.974  -6.773
  835    H    CYS 107           H        CYS 107  10.935  10.593  -5.900
  836    HA   CYS 107           HA       CYS 107  10.543  10.813  -8.794
  837   1HB   CYS 107          2HB       CYS 107   9.261  12.381  -6.552
  838   2HB   CYS 107          1HB       CYS 107   8.832  12.489  -8.251
  839    H    GLN 108           HN       GLN 108  12.462  11.640  -9.506
  840    HA   GLN 108           HA       GLN 108  13.544  14.044  -8.295
  841   1HB   GLN 108          1HB       GLN 108  14.997  12.112  -8.945
  842   2HB   GLN 108          2HB       GLN 108  14.595  12.434 -10.628
  843   1HG   GLN 108          2HG       GLN 108  15.519  14.740 -10.290
  844   2HG   GLN 108          1HG       GLN 108  16.115  14.182  -8.728
  845   1HE2  GLN 108          1HE2      GLN 108  18.192  13.734  -8.804
  846   2HE2  GLN 108          2HE2      GLN 108  19.034  12.995 -10.120
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1   7.710  15.732  -4.000
    2   2H    MET   1          2HT       MET   1   8.257  14.133  -3.936
    3   3H    MET   1          3HT       MET   1   6.941  14.536  -4.919
    4    HA   MET   1           HA       MET   1   8.685  14.340  -6.408
    5   1HB   MET   1          2HB       MET   1   8.380  17.239  -5.588
    6   2HB   MET   1          1HB       MET   1   9.113  16.715  -7.099
    7   1HG   MET   1          1HG       MET   1   7.015  15.680  -7.773
    8   2HG   MET   1          2HG       MET   1   6.276  16.167  -6.249
    9   1HE   MET   1          1HE       MET   1   8.720  18.157  -8.673
   10   2HE   MET   1          2HE       MET   1   7.542  19.068  -9.617
   11   3HE   MET   1          3HE       MET   1   7.604  17.310  -9.742
   12    H    GLY   2           H        GLY   2  10.148  13.255  -4.674
   13   1HA   GLY   2          2HA       GLY   2  12.769  14.072  -5.060
   14   2HA   GLY   2          1HA       GLY   2  12.270  14.774  -3.530
   15    HA   PRO   3           HA       PRO   3  13.547  10.294  -2.896
   16   1HB   PRO   3          2HB       PRO   3  16.076  10.839  -1.801
   17   2HB   PRO   3          1HB       PRO   3  15.735  10.196  -3.403
   18   1HG   PRO   3          1HG       PRO   3  16.818  12.724  -2.775
   19   2HG   PRO   3          2HG       PRO   3  16.339  12.123  -4.367
   20   1HD   PRO   3          1HD       PRO   3  14.936  13.966  -2.555
   21   2HD   PRO   3          2HD       PRO   3  14.779  13.756  -4.307
   22    H    MET   4           H        MET   4  12.825   9.441  -1.086
   23    HA   MET   4           HA       MET   4  13.454  10.636   1.496
   24   1HB   MET   4          2HB       MET   4  10.940  10.314   2.097
   25   2HB   MET   4          1HB       MET   4  11.430  11.750   1.214
   26   1HG   MET   4          1HG       MET   4   9.491  11.055   0.145
   27   2HG   MET   4          2HG       MET   4  10.786  10.470  -0.895
   28   1HE   MET   4          1HE       MET   4   8.228   9.809   1.724
   29   2HE   MET   4          2HE       MET   4   9.240   8.604   2.519
   30   3HE   MET   4          3HE       MET   4   7.825   8.096   1.595
   31    HA   PRO   5           HA       PRO   5  13.987   6.524   3.085
   32   1HB   PRO   5          1HB       PRO   5  12.202   6.482   5.243
   33   2HB   PRO   5          2HB       PRO   5  13.885   7.003   5.288
   34   1HG   PRO   5          1HG       PRO   5  11.403   8.632   5.033
   35   2HG   PRO   5          2HG       PRO   5  12.889   8.976   5.940
   36   1HD   PRO   5          1HD       PRO   5  12.416  10.190   3.638
   37   2HD   PRO   5          2HD       PRO   5  14.051   9.621   4.022
   38    H    LYS   6           H        LYS   6  13.225   4.501   2.837
   39    HA   LYS   6           HA       LYS   6  10.635   4.185   1.548
   40   1HB   LYS   6          2HB       LYS   6  12.801   2.131   2.040
   41   2HB   LYS   6          1HB       LYS   6  11.426   1.963   0.958
   42   1HG   LYS   6          2HG       LYS   6  12.300   3.747  -0.453
   43   2HG   LYS   6          1HG       LYS   6  13.668   3.949   0.641
   44   1HD   LYS   6          1HD       LYS   6  13.110   1.286  -0.618
   45   2HD   LYS   6          2HD       LYS   6  13.959   2.540  -1.521
   46   1HE   LYS   6          1HE       LYS   6  15.616   1.160  -0.524
   47   2HE   LYS   6          2HE       LYS   6  15.596   2.674   0.378
   48   1HZ   LYS   6          1HZ       LYS   6  15.635   0.397   1.610
   49   2HZ   LYS   6          2HZ       LYS   6  13.965   0.434   1.343
   50   3HZ   LYS   6          3HZ       LYS   6  14.709   1.678   2.215
   51    H    LEU   7           H        LEU   7   9.471   2.030   2.093
   52    HA   LEU   7           HA       LEU   7   8.962   2.029   4.974
   53   1HB   LEU   7          2HB       LEU   7   7.443   0.530   2.829
   54   2HB   LEU   7          1HB       LEU   7   6.952   0.757   4.489
   55    HG   LEU   7           HG       LEU   7   5.563   2.161   3.249
   56   1HD1  LEU   7          1HD1      LEU   7   6.243   3.395   5.129
   57   2HD1  LEU   7          2HD1      LEU   7   6.312   4.512   3.764
   58   3HD1  LEU   7          3HD1      LEU   7   7.797   3.802   4.401
   59   1HD2  LEU   7          1HD2      LEU   7   7.824   3.474   1.812
   60   2HD2  LEU   7          2HD2      LEU   7   6.105   3.457   1.417
   61   3HD2  LEU   7          3HD2      LEU   7   7.075   1.999   1.202
   62    H    ALA   8           H        ALA   8   9.788  -0.168   2.332
   63    HA   ALA   8           HA       ALA   8  11.076  -1.979   4.228
   64   1HB   ALA   8          1HB       ALA   8   9.890  -3.903   3.567
   65   2HB   ALA   8          2HB       ALA   8   9.151  -3.079   2.194
   66   3HB   ALA   8          3HB       ALA   8   8.656  -2.671   3.838
   67    H    ASP   9           H        ASP   9  11.488  -4.085   2.317
   68    HA   ASP   9           HA       ASP   9  13.158  -2.735   0.299
   69   1HB   ASP   9          1HB       ASP   9  14.442  -3.731   2.224
   70   2HB   ASP   9          2HB       ASP   9  13.851  -5.311   1.727
   71    H    ARG  10           H        ARG  10  11.142  -5.526   1.092
   72    HA   ARG  10           HA       ARG  10  10.984  -6.137  -1.790
   73   1HB   ARG  10          2HB       ARG  10  10.911  -8.132   0.468
   74   2HB   ARG  10          1HB       ARG  10  10.693  -8.509  -1.231
   75   1HG   ARG  10          1HG       ARG  10  12.968  -7.805  -1.697
   76   2HG   ARG  10          2HG       ARG  10  13.191  -7.362  -0.002
   77   1HD   ARG  10          1HD       ARG  10  12.684  -9.725   0.601
   78   2HD   ARG  10          2HD       ARG  10  12.683 -10.113  -1.117
   79    HE   ARG  10           HE       ARG  10  14.954 -10.138  -1.061
   80   1HH1  ARG  10          1HH1      ARG  10  13.881  -8.338   1.757
   81   2HH1  ARG  10          2HH1      ARG  10  15.484  -8.133   2.376
   82   1HH2  ARG  10          1HH2      ARG  10  17.043  -9.860  -0.227
   83   2HH2  ARG  10          2HH2      ARG  10  17.271  -8.994   1.255
   84    H    LYS  11           H        LYS  11   9.022  -7.189  -2.489
   85    HA   LYS  11           HA       LYS  11   6.661  -6.702  -0.811
   86   1HB   LYS  11          2HB       LYS  11   5.525  -5.748  -2.814
   87   2HB   LYS  11          1HB       LYS  11   6.867  -4.768  -2.240
   88   1HG   LYS  11          2HG       LYS  11   8.269  -6.006  -3.995
   89   2HG   LYS  11          1HG       LYS  11   6.719  -6.496  -4.682
   90   1HD   LYS  11          2HD       LYS  11   6.077  -4.192  -4.975
   91   2HD   LYS  11          1HD       LYS  11   7.551  -3.652  -4.169
   92   1HE   LYS  11          2HE       LYS  11   8.892  -4.670  -5.944
   93   2HE   LYS  11          1HE       LYS  11   7.415  -5.196  -6.756
   94   1HZ   LYS  11          1HZ       LYS  11   8.198  -2.376  -6.242
   95   2HZ   LYS  11          2HZ       LYS  11   6.779  -2.876  -7.014
   96   3HZ   LYS  11          3HZ       LYS  11   8.280  -3.168  -7.735
   97    H    LEU  12           H        LEU  12   4.652  -7.636  -1.915
   98    HA   LEU  12           HA       LEU  12   5.305 -10.262  -3.081
   99   1HB   LEU  12          2HB       LEU  12   3.044  -9.386  -1.296
  100   2HB   LEU  12          1HB       LEU  12   2.885 -10.803  -2.305
  101    HG   LEU  12           HG       LEU  12   3.437 -11.486  -0.072
  102   1HD1  LEU  12          1HD2      LEU  12   5.877 -11.778  -1.819
  103   2HD1  LEU  12          2HD2      LEU  12   4.437 -12.795  -1.877
  104   3HD1  LEU  12          3HD2      LEU  12   5.455 -12.789  -0.436
  105   1HD2  LEU  12          1HD1      LEU  12   4.792 -10.407   1.301
  106   2HD2  LEU  12          2HD1      LEU  12   4.899  -9.150   0.067
  107   3HD2  LEU  12          3HD1      LEU  12   6.114 -10.427   0.134
  108    H    CYS  13           H        CYS  13   4.635 -10.678  -5.070
  109    HA   CYS  13           HA       CYS  13   2.414  -9.134  -6.212
  110   1HB   CYS  13          2HB       CYS  13   5.066  -9.668  -7.574
  111   2HB   CYS  13          1HB       CYS  13   3.659  -8.954  -8.351
  112    H    ALA  14           H        ALA  14   1.624 -10.169  -8.290
  113    HA   ALA  14           HA       ALA  14   1.164 -12.961  -7.806
  114   1HB   ALA  14          1HB       ALA  14  -0.710 -11.851  -8.626
  115   2HB   ALA  14          2HB       ALA  14  -0.116 -12.736 -10.031
  116   3HB   ALA  14          3HB       ALA  14   0.213 -11.011  -9.872
  117    H    ASP  15           H        ASP  15   2.978 -11.056 -10.149
  118    HA   ASP  15           HA       ASP  15   4.332 -13.515 -11.036
  119   1HB   ASP  15          2HB       ASP  15   3.412 -11.210 -12.771
  120   2HB   ASP  15          1HB       ASP  15   4.530 -12.458 -13.312
  121    H    GLN  16           H        GLN  16   6.436 -12.894 -12.252
  122    HA   GLN  16           HA       GLN  16   8.084 -11.444 -10.448
  123   1HB   GLN  16          2HB       GLN  16   8.800 -13.397 -11.867
  124   2HB   GLN  16          1HB       GLN  16   8.773 -12.325 -13.259
  125   1HG   GLN  16          2HG       GLN  16  10.496 -10.938 -12.237
  126   2HG   GLN  16          1HG       GLN  16  10.507 -11.981 -10.820
  127   1HE2  GLN  16          1HE2      GLN  16  10.060 -14.055 -13.329
  128   2HE2  GLN  16          2HE2      GLN  16  11.702 -14.443 -13.682
  129    H    GLU  17           H        GLU  17   6.183 -10.515 -13.129
  130    HA   GLU  17           HA       GLU  17   7.670  -8.077 -13.694
  131   1HB   GLU  17          2HB       GLU  17   4.996  -9.021 -14.755
  132   2HB   GLU  17          1HB       GLU  17   5.903  -7.642 -15.350
  133   1HG   GLU  17          1HG       GLU  17   7.711  -9.179 -16.027
  134   2HG   GLU  17          2HG       GLU  17   6.709 -10.530 -15.511
  135    H    CYS  18           H        CYS  18   5.090  -9.198 -11.729
  136    HA   CYS  18           HA       CYS  18   3.623  -8.248 -10.293
  137   1HB   CYS  18          1HB       CYS  18   5.848  -7.200  -9.518
  138   2HB   CYS  18          2HB       CYS  18   5.302  -5.740 -10.334
  139    H    SER  19           H        SER  19   3.323  -7.981 -13.134
  140    HA   SER  19           HA       SER  19   1.999  -5.437 -13.564
  141   1HB   SER  19          2HB       SER  19   3.386  -6.080 -15.355
  142   2HB   SER  19          1HB       SER  19   2.768  -7.724 -15.348
  143    HG   SER  19           HG       SER  19   1.304  -7.087 -16.706
  144    H    HIS  20           H        HIS  20   1.186  -8.378 -12.300
  145    HA   HIS  20           HA       HIS  20  -1.571  -8.340 -13.300
  146   1HB   HIS  20          2HB       HIS  20   0.190 -10.424 -12.123
  147   2HB   HIS  20          1HB       HIS  20  -1.524 -10.537 -11.762
  148    HD1  HIS  20           HD1      HIS  20  -1.060 -12.847 -13.115
  149    HD2  HIS  20           HD2      HIS  20  -1.152  -9.351 -15.357
  150    HE1  HIS  20           HE1      HIS  20  -1.532 -13.579 -15.461
  151    HE2  HIS  20           HE2      HIS  20  -1.450 -11.458 -16.832
  152    HA   PRO  21           HA       PRO  21  -2.888  -6.864  -9.283
  153   1HB   PRO  21          1HB       PRO  21  -5.586  -7.146  -9.639
  154   2HB   PRO  21          2HB       PRO  21  -4.632  -5.843 -10.356
  155   1HG   PRO  21          1HG       PRO  21  -5.933  -8.085 -11.660
  156   2HG   PRO  21          2HG       PRO  21  -5.169  -6.665 -12.389
  157   1HD   PRO  21          1HD       PRO  21  -4.112  -9.372 -12.065
  158   2HD   PRO  21          2HD       PRO  21  -3.498  -8.030 -13.059
  159    H    ILE  22           H        ILE  22  -2.670  -7.994  -7.449
  160    HA   ILE  22           HA       ILE  22  -3.196 -10.750  -7.223
  161    HB   ILE  22           HB       ILE  22  -2.869  -8.772  -4.955
  162   1HG1  ILE  22          2HG1      ILE  22  -0.746 -10.533  -6.202
  163   2HG1  ILE  22          1HG1      ILE  22  -0.996  -8.852  -6.674
  164   1HG2  ILE  22          1HG2      ILE  22  -2.647 -10.535  -3.501
  165   2HG2  ILE  22          2HG2      ILE  22  -2.092 -11.644  -4.754
  166   3HG2  ILE  22          3HG2      ILE  22  -3.805 -11.234  -4.636
  167   1HD1  ILE  22          1HD1      ILE  22  -0.660  -8.306  -4.198
  168   2HD1  ILE  22          2HD1      ILE  22   0.754  -8.773  -5.146
  169   3HD1  ILE  22          3HD1      ILE  22  -0.009  -9.940  -4.066
  170    H    SER  23           H        SER  23  -4.824  -8.116  -5.408
  171    HA   SER  23           HA       SER  23  -7.343  -9.573  -5.735
  172   1HB   SER  23          2HB       SER  23  -6.242  -8.672  -3.064
  173   2HB   SER  23          1HB       SER  23  -7.845  -9.357  -3.331
  174    HG   SER  23           HG       SER  23  -6.348 -10.934  -2.628
  175    H    MET  24           H        MET  24  -9.192  -8.371  -5.616
  176    HA   MET  24           HA       MET  24  -8.864  -5.487  -5.931
  177   1HB   MET  24          2HB       MET  24 -10.132  -6.846  -7.606
  178   2HB   MET  24          1HB       MET  24 -11.324  -7.188  -6.361
  179   1HG   MET  24          2HG       MET  24 -10.656  -4.354  -6.955
  180   2HG   MET  24          1HG       MET  24 -11.645  -5.248  -8.098
  181   1HE   MET  24          1HE       MET  24 -13.618  -6.537  -7.536
  182   2HE   MET  24          2HE       MET  24 -14.899  -5.884  -6.515
  183   3HE   MET  24          3HE       MET  24 -13.750  -7.046  -5.854
  184    H    ALA  25           H        ALA  25  -9.296  -4.142  -4.311
  185    HA   ALA  25           HA       ALA  25 -11.012  -5.106  -2.111
  186   1HB   ALA  25          1HB       ALA  25  -8.326  -4.072  -2.069
  187   2HB   ALA  25          2HB       ALA  25  -9.268  -4.807  -0.771
  188   3HB   ALA  25          3HB       ALA  25  -9.396  -3.076  -1.082
  189    H    VAL  26           H        VAL  26 -12.398  -3.673  -1.117
  190    HA   VAL  26           HA       VAL  26 -13.134  -1.331  -2.741
  191    HB   VAL  26           HB       VAL  26 -14.714  -2.633  -0.505
  192   1HG1  VAL  26          1HG2      VAL  26 -15.820  -0.896  -2.688
  193   2HG1  VAL  26          2HG2      VAL  26 -15.177  -0.198  -1.202
  194   3HG1  VAL  26          3HG2      VAL  26 -16.538  -1.317  -1.132
  195   1HG2  VAL  26          1HG1      VAL  26 -15.029  -2.996  -3.484
  196   2HG2  VAL  26          2HG1      VAL  26 -16.038  -3.714  -2.229
  197   3HG2  VAL  26          3HG1      VAL  26 -14.345  -4.187  -2.377
  198    H    ALA  27           H        ALA  27 -13.104   0.743  -1.958
  199    HA   ALA  27           HA       ALA  27 -11.575   1.243   0.442
  200   1HB   ALA  27          1HB       ALA  27 -11.372   2.547  -1.709
  201   2HB   ALA  27          2HB       ALA  27 -11.505   3.503  -0.231
  202   3HB   ALA  27          3HB       ALA  27 -12.906   3.309  -1.287
  203    H    LEU  28           H        LEU  28 -12.279   1.882   2.376
  204    HA   LEU  28           HA       LEU  28 -15.168   2.068   2.788
  205   1HB   LEU  28          2HB       LEU  28 -12.869   1.182   4.420
  206   2HB   LEU  28          1HB       LEU  28 -14.174   1.973   5.287
  207    HG   LEU  28           HG       LEU  28 -15.757   0.294   4.307
  208   1HD1  LEU  28          1HD1      LEU  28 -14.905  -0.691   2.452
  209   2HD1  LEU  28          2HD1      LEU  28 -14.356  -1.870   3.642
  210   3HD1  LEU  28          3HD1      LEU  28 -13.246  -0.636   3.047
  211   1HD2  LEU  28          1HD2      LEU  28 -15.348  -1.269   5.961
  212   2HD2  LEU  28          2HD2      LEU  28 -14.507   0.160   6.565
  213   3HD2  LEU  28          3HD2      LEU  28 -13.597  -1.139   5.794
  214    H    GLN  29           H        GLN  29 -12.400   4.123   2.772
  215    HA   GLN  29           HA       GLN  29 -14.073   6.327   3.647
  216   1HB   GLN  29          1HB       GLN  29 -12.393   7.141   5.304
  217   2HB   GLN  29          2HB       GLN  29 -13.231   5.672   5.778
  218   1HG   GLN  29          2HG       GLN  29 -11.319   4.334   5.252
  219   2HG   GLN  29          1HG       GLN  29 -10.485   5.715   4.550
  220   1HE2  GLN  29          1HE2      GLN  29 -11.810   7.237   6.993
  221   2HE2  GLN  29          2HE2      GLN  29 -10.670   6.942   8.248
  222    H    ASP  30           H        ASP  30 -12.759   8.439   3.664
  223    HA   ASP  30           HA       ASP  30 -11.571   8.725   1.056
  224   1HB   ASP  30          1HB       ASP  30 -12.057  10.756   3.248
  225   2HB   ASP  30          2HB       ASP  30 -11.531  11.139   1.612
  226    H    TYR  31           H        TYR  31  -9.524   9.525   0.582
  227    HA   TYR  31           HA       TYR  31  -7.548   9.867   2.669
  228   1HB   TYR  31          2HB       TYR  31  -7.682   7.349   2.017
  229   2HB   TYR  31          1HB       TYR  31  -6.929   7.859   0.514
  230    HD1  TYR  31           HD1      TYR  31  -4.613   7.993   0.368
  231    HD2  TYR  31           HD2      TYR  31  -6.439   8.056   4.212
  232    HE1  TYR  31           HE1      TYR  31  -2.392   7.908   1.420
  233    HE2  TYR  31           HE2      TYR  31  -4.224   7.970   5.273
  234    HH   TYR  31           HH       TYR  31  -1.463   8.704   3.826
  235    H    MET  32           H        MET  32  -5.910  11.217   2.051
  236    HA   MET  32           HA       MET  32  -5.894  12.102  -0.763
  237   1HB   MET  32          2HB       MET  32  -5.228  13.690   1.724
  238   2HB   MET  32          1HB       MET  32  -5.068  14.284   0.078
  239   1HG   MET  32          1HG       MET  32  -7.649  13.418   1.366
  240   2HG   MET  32          2HG       MET  32  -7.100  15.079   1.197
  241   1HE   MET  32          1HE       MET  32  -6.876  16.368  -0.983
  242   2HE   MET  32          2HE       MET  32  -7.357  15.790  -2.577
  243   3HE   MET  32          3HE       MET  32  -5.887  15.174  -1.823
  244    H    ALA  33           H        ALA  33  -3.932  12.301  -1.810
  245    HA   ALA  33           HA       ALA  33  -1.725  10.836  -0.614
  246   1HB   ALA  33          1HB       ALA  33  -2.447  11.702  -3.363
  247   2HB   ALA  33          2HB       ALA  33  -1.998  10.108  -2.757
  248   3HB   ALA  33          3HB       ALA  33  -0.759  11.339  -3.003
  249    HA   PRO  34           HA       PRO  34   0.242  14.852   0.277
  250   1HB   PRO  34          2HB       PRO  34   2.007  13.525   2.102
  251   2HB   PRO  34          1HB       PRO  34   0.646  14.581   2.478
  252   1HG   PRO  34          2HG       PRO  34   0.729  11.891   3.035
  253   2HG   PRO  34          1HG       PRO  34  -0.764  12.832   2.852
  254   1HD   PRO  34          2HD       PRO  34   0.604  11.034   0.887
  255   2HD   PRO  34          1HD       PRO  34  -1.131  11.236   1.218
  256    H    ASP  35           H        ASP  35   2.185  11.852   0.141
  257    HA   ASP  35           HA       ASP  35   4.416  13.275  -1.071
  258   1HB   ASP  35          2HB       ASP  35   4.627  11.521   0.780
  259   2HB   ASP  35          1HB       ASP  35   4.254  10.327  -0.454
  260    H    CYS  36           H        CYS  36   5.515  12.281  -2.941
  261    HA   CYS  36           HA       CYS  36   3.867  12.164  -5.201
  262   1HB   CYS  36          1HB       CYS  36   6.130  12.916  -5.399
  263   2HB   CYS  36          2HB       CYS  36   6.755  11.397  -4.769
  264    H    ARG  37           H        ARG  37   5.280   9.565  -3.258
  265    HA   ARG  37           HA       ARG  37   4.387   7.556  -5.147
  266   1HB   ARG  37          2HB       ARG  37   5.458   5.934  -3.666
  267   2HB   ARG  37          1HB       ARG  37   6.546   7.253  -4.073
  268   1HG   ARG  37          2HG       ARG  37   6.266   8.241  -1.918
  269   2HG   ARG  37          1HG       ARG  37   4.989   7.095  -1.505
  270   1HD   ARG  37          2HD       ARG  37   6.648   5.253  -1.725
  271   2HD   ARG  37          1HD       ARG  37   7.902   6.470  -1.973
  272    HE   ARG  37           HE       ARG  37   7.942   6.795   0.275
  273   1HH1  ARG  37          1HH1      ARG  37   4.909   5.213  -0.489
  274   2HH1  ARG  37          2HH1      ARG  37   4.395   5.148   1.161
  275   1HH2  ARG  37          1HH2      ARG  37   7.250   6.700   2.435
  276   2HH2  ARG  37          2HH2      ARG  37   5.716   5.990   2.814
  277    H    PHE  38           H        PHE  38   2.541   9.264  -3.224
  278    HA   PHE  38           HA       PHE  38   1.077   6.982  -2.075
  279   1HB   PHE  38          2HB       PHE  38   1.284   9.856  -1.348
  280   2HB   PHE  38          1HB       PHE  38  -0.265   9.075  -1.069
  281    HD1  PHE  38           HD1      PHE  38   3.389   8.508  -0.387
  282    HD2  PHE  38           HD2      PHE  38  -0.631   8.066   0.945
  283    HE1  PHE  38           HE1      PHE  38   4.195   7.620   1.753
  284    HE2  PHE  38           HE2      PHE  38   0.178   7.172   3.086
  285    HZ   PHE  38           HZ       PHE  38   2.593   6.950   3.493
  286    H    LEU  39           H        LEU  39  -1.309   7.022  -2.212
  287    HA   LEU  39           HA       LEU  39  -2.235   8.157  -4.779
  288   1HB   LEU  39          2HB       LEU  39  -2.805   5.510  -3.481
  289   2HB   LEU  39          1HB       LEU  39  -3.909   6.190  -4.659
  290    HG   LEU  39           HG       LEU  39  -0.997   5.695  -5.268
  291   1HD1  LEU  39          1HD1      LEU  39  -1.653   3.532  -4.871
  292   2HD1  LEU  39          2HD1      LEU  39  -2.116   3.708  -6.564
  293   3HD1  LEU  39          3HD1      LEU  39  -3.336   3.848  -5.297
  294   1HD2  LEU  39          1HD2      LEU  39  -2.242   7.275  -6.719
  295   2HD2  LEU  39          2HD2      LEU  39  -3.401   5.989  -7.069
  296   3HD2  LEU  39          3HD2      LEU  39  -1.717   5.820  -7.568
  297    H    THR  40           H        THR  40  -4.246   9.074  -4.910
  298    HA   THR  40           HA       THR  40  -5.544   9.731  -2.363
  299    HB   THR  40           HB       THR  40  -6.011  10.909  -5.122
  300    HG1  THR  40           HG1      THR  40  -4.790  12.651  -4.329
  301   1HG2  THR  40          1HG2      THR  40  -7.346  12.532  -4.208
  302   2HG2  THR  40          2HG2      THR  40  -6.692  12.316  -2.583
  303   3HG2  THR  40          3HG2      THR  40  -7.815  11.129  -3.249
  304    H    ILE  41           H        ILE  41  -7.200   8.507  -1.762
  305    HA   ILE  41           HA       ILE  41  -8.880   7.255  -3.845
  306    HB   ILE  41           HB       ILE  41  -7.960   6.113  -1.196
  307   1HG1  ILE  41          1HG1      ILE  41  -7.773   4.879  -3.941
  308   2HG1  ILE  41          2HG1      ILE  41  -6.540   5.997  -3.352
  309   1HG2  ILE  41          1HG2      ILE  41  -9.312   4.077  -1.949
  310   2HG2  ILE  41          2HG2      ILE  41 -10.158   5.182  -3.032
  311   3HG2  ILE  41          3HG2      ILE  41 -10.214   5.440  -1.287
  312   1HD1  ILE  41          1HD1      ILE  41  -6.715   4.221  -1.289
  313   2HD1  ILE  41          2HD1      ILE  41  -5.530   4.157  -2.595
  314   3HD1  ILE  41          3HD1      ILE  41  -7.003   3.192  -2.693
  315    H    HIS  42           H        HIS  42 -11.021   7.539  -3.729
  316    HA   HIS  42           HA       HIS  42 -12.096   9.102  -1.503
  317   1HB   HIS  42          2HB       HIS  42 -13.247   8.416  -4.219
  318   2HB   HIS  42          1HB       HIS  42 -14.135   9.287  -2.981
  319    HD1  HIS  42           HD1      HIS  42 -13.990  10.836  -5.399
  320    HD2  HIS  42           HD2      HIS  42 -10.786  10.854  -2.749
  321    HE1  HIS  42           HE1      HIS  42 -12.709  12.938  -5.903
  322    HE2  HIS  42           HE2      HIS  42 -10.833  12.976  -4.225
  323    H    ARG  43           H        ARG  43 -14.139   8.488  -0.556
  324    HA   ARG  43           HA       ARG  43 -14.153   5.836   0.368
  325   1HB   ARG  43          2HB       ARG  43 -15.018   7.888   1.552
  326   2HB   ARG  43          1HB       ARG  43 -16.434   7.807   0.517
  327   1HG   ARG  43          1HG       ARG  43 -17.079   5.703   1.448
  328   2HG   ARG  43          2HG       ARG  43 -15.564   5.584   2.347
  329   1HD   ARG  43          2HD       ARG  43 -17.727   7.645   2.760
  330   2HD   ARG  43          1HD       ARG  43 -17.380   6.273   3.807
  331    HE   ARG  43           HE       ARG  43 -15.052   7.802   3.560
  332   1HH1  ARG  43          1HH1      ARG  43 -18.246   8.073   4.984
  333   2HH1  ARG  43          2HH1      ARG  43 -17.724   9.153   6.232
  334   1HH2  ARG  43          1HH2      ARG  43 -14.387   9.219   5.203
  335   2HH2  ARG  43          2HH2      ARG  43 -15.541   9.801   6.356
  336    H    GLY  44           H        GLY  44 -14.744   4.069  -0.700
  337   1HA   GLY  44          2HA       GLY  44 -16.454   2.702  -1.621
  338   2HA   GLY  44          1HA       GLY  44 -17.225   4.140  -2.264
  339    H    GLN  45           H        GLN  45 -13.890   4.246  -2.919
  340    HA   GLN  45           HA       GLN  45 -14.438   3.669  -5.702
  341   1HB   GLN  45          1HB       GLN  45 -11.930   4.647  -4.324
  342   2HB   GLN  45          2HB       GLN  45 -12.021   4.298  -6.044
  343   1HG   GLN  45          2HG       GLN  45 -14.020   5.929  -6.041
  344   2HG   GLN  45          1HG       GLN  45 -13.355   6.474  -4.502
  345   1HE2  GLN  45          1HE2      GLN  45 -13.456   7.224  -7.623
  346   2HE2  GLN  45          2HE2      GLN  45 -11.919   7.987  -7.826
  347    H    VAL  46           H        VAL  46 -13.340   2.222  -7.006
  348    HA   VAL  46           HA       VAL  46 -12.668  -0.300  -5.722
  349    HB   VAL  46           HB       VAL  46 -12.777   0.404  -8.672
  350   1HG1  VAL  46          1HG1      VAL  46 -13.302  -2.354  -8.053
  351   2HG1  VAL  46          2HG1      VAL  46 -11.731  -1.864  -7.417
  352   3HG1  VAL  46          3HG1      VAL  46 -12.093  -1.654  -9.132
  353   1HG2  VAL  46          1HG2      VAL  46 -14.968  -0.638  -8.713
  354   2HG2  VAL  46          2HG2      VAL  46 -14.949   0.722  -7.588
  355   3HG2  VAL  46          3HG2      VAL  46 -14.881  -0.931  -6.976
  356    H    VAL  47           H        VAL  47 -10.593  -0.775  -5.196
  357    HA   VAL  47           HA       VAL  47  -8.454   0.490  -6.795
  358    HB   VAL  47           HB       VAL  47  -8.180  -0.170  -3.859
  359   1HG1  VAL  47          1HG1      VAL  47  -6.194   0.140  -5.542
  360   2HG1  VAL  47          2HG1      VAL  47  -6.127   0.851  -3.930
  361   3HG1  VAL  47          3HG1      VAL  47  -6.549   1.853  -5.319
  362   1HG2  VAL  47          1HG2      VAL  47  -9.941   1.603  -4.365
  363   2HG2  VAL  47          2HG2      VAL  47  -8.606   2.602  -4.940
  364   3HG2  VAL  47          3HG2      VAL  47  -8.642   2.057  -3.263
  365    H    TYR  48           H        TYR  48  -7.093  -0.859  -7.749
  366    HA   TYR  48           HA       TYR  48  -7.195  -3.699  -7.100
  367   1HB   TYR  48          2HB       TYR  48  -6.082  -2.150  -9.432
  368   2HB   TYR  48          1HB       TYR  48  -5.640  -3.824  -9.172
  369    HD1  TYR  48           HD1      TYR  48  -6.531  -4.712 -11.159
  370    HD2  TYR  48           HD2      TYR  48  -9.065  -2.453  -8.589
  371    HE1  TYR  48           HE1      TYR  48  -8.489  -5.447 -12.446
  372    HE2  TYR  48           HE2      TYR  48 -11.025  -3.186  -9.873
  373    HH   TYR  48           HH       TYR  48 -11.762  -4.691 -11.417
  374    H    VAL  49           H        VAL  49  -5.699  -4.664  -5.878
  375    HA   VAL  49           HA       VAL  49  -3.296  -3.189  -5.124
  376    HB   VAL  49           HB       VAL  49  -4.226  -5.882  -4.098
  377   1HG1  VAL  49          1HG1      VAL  49  -2.837  -4.824  -2.072
  378   2HG1  VAL  49          2HG1      VAL  49  -1.997  -4.056  -3.419
  379   3HG1  VAL  49          3HG1      VAL  49  -2.095  -5.815  -3.328
  380   1HG2  VAL  49          1HG2      VAL  49  -5.913  -4.766  -3.149
  381   2HG2  VAL  49          2HG2      VAL  49  -5.213  -3.197  -3.550
  382   3HG2  VAL  49          3HG2      VAL  49  -4.692  -4.050  -2.097
  383    H    PHE  50           H        PHE  50  -1.379  -3.537  -6.033
  384    HA   PHE  50           HA       PHE  50  -1.010  -5.941  -7.677
  385   1HB   PHE  50          2HB       PHE  50   0.135  -3.170  -7.862
  386   2HB   PHE  50          1HB       PHE  50   0.936  -4.526  -8.643
  387    HD1  PHE  50           HD1      PHE  50  -2.470  -2.971  -8.431
  388    HD2  PHE  50           HD2      PHE  50   0.427  -4.980 -10.819
  389    HE1  PHE  50           HE1      PHE  50  -3.925  -2.731 -10.397
  390    HE2  PHE  50           HE2      PHE  50  -1.027  -4.740 -12.787
  391    HZ   PHE  50           HZ       PHE  50  -3.205  -3.615 -12.578
  392    H    SER  51           H        SER  51   0.503  -4.004  -5.125
  393    HA   SER  51           HA       SER  51   2.264  -6.282  -4.568
  394   1HB   SER  51          2HB       SER  51   4.179  -4.746  -4.195
  395   2HB   SER  51          1HB       SER  51   3.641  -4.780  -5.872
  396    HG   SER  51           HG       SER  51   4.043  -2.646  -4.827
  397    H    LYS  52           H        LYS  52   2.849  -6.608  -2.468
  398    HA   LYS  52           HA       LYS  52   1.745  -4.753  -0.447
  399   1HB   LYS  52          2HB       LYS  52   1.899  -7.745  -0.059
  400   2HB   LYS  52          1HB       LYS  52   1.079  -6.574   0.948
  401   1HG   LYS  52          1HG       LYS  52  -0.572  -6.184  -0.775
  402   2HG   LYS  52          2HG       LYS  52   0.274  -7.288  -1.863
  403   1HD   LYS  52          1HD       LYS  52  -0.131  -9.134  -0.305
  404   2HD   LYS  52          2HD       LYS  52  -0.975  -8.030   0.783
  405   1HE   LYS  52          2HE       LYS  52  -2.642  -7.590  -0.953
  406   2HE   LYS  52          1HE       LYS  52  -1.797  -8.696  -2.042
  407   1HZ   LYS  52          1HZ       LYS  52  -2.228 -10.491  -0.464
  408   2HZ   LYS  52          2HZ       LYS  52  -3.667  -9.788  -1.004
  409   3HZ   LYS  52          3HZ       LYS  52  -3.077  -9.425   0.538
  410    H    LEU  53           H        LEU  53   3.462  -3.794   0.499
  411    HA   LEU  53           HA       LEU  53   6.077  -4.934   0.469
  412   1HB   LEU  53          1HB       LEU  53   5.085  -2.613   2.128
  413   2HB   LEU  53          2HB       LEU  53   6.756  -2.980   1.739
  414    HG   LEU  53           HG       LEU  53   4.675  -2.209  -0.315
  415   1HD1  LEU  53          1HD2      LEU  53   6.742  -0.260   0.093
  416   2HD1  LEU  53          2HD2      LEU  53   5.890  -0.576   1.609
  417   3HD1  LEU  53          3HD2      LEU  53   4.990  -0.070   0.178
  418   1HD2  LEU  53          1HD1      LEU  53   7.332  -3.264  -0.523
  419   2HD2  LEU  53          2HD1      LEU  53   7.279  -1.629  -1.182
  420   3HD2  LEU  53          3HD1      LEU  53   6.183  -2.866  -1.802
  421    H    LYS  54           H        LYS  54   7.420  -5.480   2.259
  422    HA   LYS  54           HA       LYS  54   5.940  -6.558   4.590
  423   1HB   LYS  54          2HB       LYS  54   8.543  -7.527   3.371
  424   2HB   LYS  54          1HB       LYS  54   7.796  -8.194   4.814
  425   1HG   LYS  54          2HG       LYS  54   5.816  -8.784   3.432
  426   2HG   LYS  54          1HG       LYS  54   6.750  -8.310   2.011
  427   1HD   LYS  54          2HD       LYS  54   7.711 -10.355   4.006
  428   2HD   LYS  54          1HD       LYS  54   6.771 -10.773   2.577
  429   1HE   LYS  54          1HE       LYS  54   9.440  -9.366   2.569
  430   2HE   LYS  54          2HE       LYS  54   9.182 -11.075   2.218
  431   1HZ   LYS  54          1HZ       LYS  54   7.808 -10.424   0.325
  432   2HZ   LYS  54          2HZ       LYS  54   9.377  -9.811   0.187
  433   3HZ   LYS  54          3HZ       LYS  54   8.110  -8.791   0.650
  434    H    GLY  55           H        GLY  55   8.971  -7.003   5.563
  435   1HA   GLY  55          2HA       GLY  55  10.416  -5.951   6.974
  436   2HA   GLY  55          1HA       GLY  55  10.109  -4.502   6.035
  437    H    ARG  56           H        ARG  56  10.101  -3.073   7.663
  438    HA   ARG  56           HA       ARG  56   8.601  -3.442  10.079
  439   1HB   ARG  56          2HB       ARG  56   9.338  -1.151  10.607
  440   2HB   ARG  56          1HB       ARG  56  10.674  -2.183  10.118
  441   1HG   ARG  56          1HG       ARG  56  10.407  -1.189   7.801
  442   2HG   ARG  56          2HG       ARG  56   9.349   0.007   8.553
  443   1HD   ARG  56          2HD       ARG  56  11.190   0.574  10.111
  444   2HD   ARG  56          1HD       ARG  56  12.232  -0.533   9.218
  445    HE   ARG  56           HE       ARG  56  11.127   1.283   7.404
  446   1HH1  ARG  56          1HH1      ARG  56  13.398   1.290  10.078
  447   2HH1  ARG  56          2HH1      ARG  56  14.297   2.633   9.460
  448   1HH2  ARG  56          1HH2      ARG  56  12.320   3.043   6.610
  449   2HH2  ARG  56          2HH2      ARG  56  13.688   3.626   7.499
  450    H    GLY  57           H        GLY  57   7.978  -2.132   6.960
  451   1HA   GLY  57          1HA       GLY  57   5.460  -0.922   7.915
  452   2HA   GLY  57          2HA       GLY  57   6.324  -0.405   6.472
  453    H    ARG  58           H        ARG  58   5.301  -3.571   7.726
  454    HA   ARG  58           HA       ARG  58   4.605  -4.516   5.135
  455   1HB   ARG  58          1HB       ARG  58   3.765  -6.513   6.326
  456   2HB   ARG  58          2HB       ARG  58   5.414  -6.092   6.733
  457   1HG   ARG  58          2HG       ARG  58   4.597  -5.064   8.797
  458   2HG   ARG  58          1HG       ARG  58   2.962  -5.579   8.392
  459   1HD   ARG  58          2HD       ARG  58   3.697  -7.899   8.374
  460   2HD   ARG  58          1HD       ARG  58   5.340  -7.393   8.746
  461    HE   ARG  58           HE       ARG  58   3.196  -7.741  10.591
  462   1HH1  ARG  58          1HH1      ARG  58   6.106  -5.849  10.052
  463   2HH1  ARG  58          2HH1      ARG  58   6.311  -5.478  11.730
  464   1HH2  ARG  58          1HH2      ARG  58   3.488  -7.242  12.783
  465   2HH2  ARG  58          2HH2      ARG  58   4.832  -6.267  13.274
  466    H    LEU  59           H        LEU  59   2.978  -2.471   7.171
  467    HA   LEU  59           HA       LEU  59   0.300  -3.391   6.524
  468   1HB   LEU  59          1HB       LEU  59   1.248  -0.930   8.003
  469   2HB   LEU  59          2HB       LEU  59  -0.428  -1.404   7.817
  470    HG   LEU  59           HG       LEU  59   1.634  -3.085   9.250
  471   1HD1  LEU  59          1HD1      LEU  59  -0.501  -1.550  10.654
  472   2HD1  LEU  59          2HD1      LEU  59   0.995  -0.735  10.201
  473   3HD1  LEU  59          3HD1      LEU  59   1.045  -2.144  11.261
  474   1HD2  LEU  59          1HD2      LEU  59   0.059  -4.653   9.171
  475   2HD2  LEU  59          2HD2      LEU  59  -1.080  -3.544   8.408
  476   3HD2  LEU  59          3HD2      LEU  59  -0.956  -3.610  10.166
  477    H    PHE  60           H        PHE  60   2.659  -1.777   4.904
  478    HA   PHE  60           HA       PHE  60   0.859   0.089   3.553
  479   1HB   PHE  60          2HB       PHE  60   3.863  -0.195   3.531
  480   2HB   PHE  60          1HB       PHE  60   3.003   0.862   2.419
  481    HD1  PHE  60           HD1      PHE  60   2.412   3.018   3.049
  482    HD2  PHE  60           HD2      PHE  60   3.574   0.223   6.045
  483    HE1  PHE  60           HE1      PHE  60   2.452   4.825   4.717
  484    HE2  PHE  60           HE2      PHE  60   3.611   2.027   7.717
  485    HZ   PHE  60           HZ       PHE  60   3.050   4.331   7.054
  486    H    TRP  61           H        TRP  61  -0.109  -0.468   1.791
  487    HA   TRP  61           HA       TRP  61   0.964  -2.637   0.126
  488   1HB   TRP  61          1HB       TRP  61  -1.824  -1.627   0.644
  489   2HB   TRP  61          2HB       TRP  61  -1.471  -2.563  -0.801
  490    HD1  TRP  61           HD1      TRP  61   0.620  -4.024   1.840
  491    HE1  TRP  61           HE1      TRP  61  -0.489  -6.103   2.855
  492    HE3  TRP  61           HE3      TRP  61  -4.129  -3.395   0.028
  493    HZ2  TRP  61           HZ2      TRP  61  -3.032  -7.310   2.913
  494    HZ3  TRP  61           HZ3      TRP  61  -5.838  -5.059   0.622
  495    HH2  TRP  61           HH2      TRP  61  -5.299  -6.975   2.034
  496    H    GLY  62           H        GLY  62  -0.164  -2.245  -2.270
  497   1HA   GLY  62          2HA       GLY  62  -0.060   0.491  -3.149
  498   2HA   GLY  62          1HA       GLY  62   1.422  -0.416  -3.566
  499    H    GLY  63           H        GLY  63  -0.154   0.695  -5.514
  500   1HA   GLY  63          1HA       GLY  63  -0.414  -1.151  -7.450
  501   2HA   GLY  63          2HA       GLY  63  -1.944  -1.304  -6.599
  502    H    SER  64           H        SER  64  -3.233  -0.559  -8.235
  503    HA   SER  64           HA       SER  64  -2.960   2.305  -8.880
  504   1HB   SER  64          1HB       SER  64  -3.799   1.865 -11.135
  505   2HB   SER  64          2HB       SER  64  -2.341   0.917 -10.839
  506    HG   SER  64           HG       SER  64  -3.767  -0.492 -11.710
  507    H    VAL  65           H        VAL  65  -5.061   3.317  -9.525
  508    HA   VAL  65           HA       VAL  65  -7.282   2.038  -8.078
  509    HB   VAL  65           HB       VAL  65  -6.522   3.962  -6.837
  510   1HG1  VAL  65          1HG1      VAL  65  -7.133   6.235  -8.234
  511   2HG1  VAL  65          2HG1      VAL  65  -6.389   5.217  -9.467
  512   3HG1  VAL  65          3HG1      VAL  65  -5.512   5.590  -7.983
  513   1HG2  VAL  65          1HG2      VAL  65  -8.634   4.316  -6.274
  514   2HG2  VAL  65          2HG2      VAL  65  -9.165   3.656  -7.822
  515   3HG2  VAL  65          3HG2      VAL  65  -8.833   5.383  -7.665
  516    H    GLN  66           H        GLN  66  -9.129   1.714  -9.058
  517    HA   GLN  66           HA       GLN  66  -9.430   2.388 -11.862
  518   1HB   GLN  66          2HB       GLN  66 -10.957   0.676  -9.919
  519   2HB   GLN  66          1HB       GLN  66 -11.635   1.080 -11.490
  520   1HG   GLN  66          2HG       GLN  66  -8.907  -0.098 -11.283
  521   2HG   GLN  66          1HG       GLN  66 -10.334  -1.122 -11.166
  522   1HE2  GLN  66          1HE2      GLN  66 -11.422   1.182 -13.153
  523   2HE2  GLN  66          2HE2      GLN  66 -10.940   0.531 -14.673
  524    H    GLY  67           H        GLY  67 -11.621   3.127 -12.629
  525   1HA   GLY  67          1HA       GLY  67 -13.569   4.419 -12.373
  526   2HA   GLY  67          2HA       GLY  67 -13.029   4.881 -10.768
  527    H    ASP  68           H        ASP  68 -13.461   5.876 -13.890
  528    HA   ASP  68           HA       ASP  68 -13.058   7.762 -15.061
  529   1HB   ASP  68          2HB       ASP  68 -12.248   8.828 -12.352
  530   2HB   ASP  68          1HB       ASP  68 -12.427   9.827 -13.789
  531    H    TYR  69           H        TYR  69 -11.543   7.553 -16.536
  532    HA   TYR  69           HA       TYR  69  -8.715   7.685 -15.726
  533   1HB   TYR  69          2HB       TYR  69 -10.040   6.424 -18.130
  534   2HB   TYR  69          1HB       TYR  69  -8.314   6.749 -18.083
  535    HD1  TYR  69           HD1      TYR  69 -10.924   5.037 -15.980
  536    HD2  TYR  69           HD2      TYR  69  -6.932   5.047 -17.458
  537    HE1  TYR  69           HE1      TYR  69 -10.520   2.867 -14.895
  538    HE2  TYR  69           HE2      TYR  69  -6.521   2.881 -16.377
  539    HH   TYR  69           HH       TYR  69  -8.626   0.828 -15.510
  540    H    TYR  70           H        TYR  70  -8.358   9.858 -15.697
  541    HA   TYR  70           HA       TYR  70  -9.184  11.485 -17.962
  542   1HB   TYR  70          1HB       TYR  70  -8.237  13.388 -16.599
  543   2HB   TYR  70          2HB       TYR  70  -9.586  12.534 -15.868
  544    HD1  TYR  70           HD1      TYR  70  -9.414  11.649 -13.714
  545    HD2  TYR  70           HD2      TYR  70  -5.864  12.819 -15.754
  546    HE1  TYR  70           HE1      TYR  70  -8.127  11.352 -11.641
  547    HE2  TYR  70           HE2      TYR  70  -4.571  12.516 -13.686
  548    HH   TYR  70           HH       TYR  70  -4.881  11.071 -11.513
  549    H    GLY  71           H        GLY  71  -6.551   9.609 -17.198
  550   1HA   GLY  71          2HA       GLY  71  -5.035   9.889 -19.361
  551   2HA   GLY  71          1HA       GLY  71  -4.560  11.323 -18.465
  552    H    ASP  72           H        ASP  72  -3.365  11.116 -16.564
  553    HA   ASP  72           HA       ASP  72  -1.891   8.604 -16.365
  554   1HB   ASP  72          2HB       ASP  72  -1.367  11.317 -15.130
  555   2HB   ASP  72          1HB       ASP  72  -0.327   9.912 -14.939
  556    H    LEU  73           H        LEU  73  -2.921   7.158 -15.122
  557    HA   LEU  73           HA       LEU  73  -3.306   7.784 -12.317
  558   1HB   LEU  73          2HB       LEU  73  -5.464   8.316 -13.553
  559   2HB   LEU  73          1HB       LEU  73  -5.604   6.592 -13.837
  560    HG   LEU  73           HG       LEU  73  -5.541   6.255 -11.346
  561   1HD1  LEU  73          1HD1      LEU  73  -5.041   7.939  -9.988
  562   2HD1  LEU  73          2HD1      LEU  73  -6.437   8.842 -10.577
  563   3HD1  LEU  73          3HD1      LEU  73  -4.874   9.013 -11.378
  564   1HD2  LEU  73          1HD2      LEU  73  -7.875   7.599 -11.174
  565   2HD2  LEU  73          2HD2      LEU  73  -7.679   6.034 -11.962
  566   3HD2  LEU  73          3HD2      LEU  73  -7.661   7.512 -12.920
  567    H    ALA  74           H        ALA  74  -3.857   5.333 -14.839
  568    HA   ALA  74           HA       ALA  74  -3.128   3.219 -12.957
  569   1HB   ALA  74          1HB       ALA  74  -4.774   3.373 -15.345
  570   2HB   ALA  74          2HB       ALA  74  -4.790   2.197 -14.027
  571   3HB   ALA  74          3HB       ALA  74  -3.665   1.999 -15.371
  572    H    ALA  75           H        ALA  75  -1.745   5.116 -15.420
  573    HA   ALA  75           HA       ALA  75   0.167   3.275 -16.445
  574   1HB   ALA  75          1HB       ALA  75   1.359   5.589 -16.961
  575   2HB   ALA  75          2HB       ALA  75  -0.244   6.214 -16.575
  576   3HB   ALA  75          3HB       ALA  75  -0.045   5.039 -17.876
  577    H    ARG  76           H        ARG  76   0.089   5.510 -13.751
  578    HA   ARG  76           HA       ARG  76   2.800   4.694 -12.973
  579   1HB   ARG  76          2HB       ARG  76   2.715   6.660 -11.414
  580   2HB   ARG  76          1HB       ARG  76   2.658   7.078 -13.118
  581   1HG   ARG  76          2HG       ARG  76   1.034   8.464 -12.383
  582   2HG   ARG  76          1HG       ARG  76   0.039   7.034 -12.644
  583   1HD   ARG  76          2HD       ARG  76  -0.477   8.030 -10.493
  584   2HD   ARG  76          1HD       ARG  76   0.275   6.453 -10.265
  585    HE   ARG  76           HE       ARG  76   1.970   7.483  -9.144
  586   1HH1  ARG  76          1HH1      ARG  76   0.346   9.948 -11.049
  587   2HH1  ARG  76          2HH1      ARG  76   1.313  11.234 -10.414
  588   1HH2  ARG  76          1HH2      ARG  76   3.219   9.187  -8.326
  589   2HH2  ARG  76          2HH2      ARG  76   2.937  10.806  -8.875
  590    H    LEU  77           H        LEU  77   3.209   3.948 -10.870
  591    HA   LEU  77           HA       LEU  77   0.827   2.873  -9.521
  592   1HB   LEU  77          1HB       LEU  77   3.648   1.835  -9.695
  593   2HB   LEU  77          2HB       LEU  77   2.479   1.205  -8.552
  594    HG   LEU  77           HG       LEU  77   1.977   1.222 -11.528
  595   1HD1  LEU  77          1HD1      LEU  77   4.050  -0.116 -10.562
  596   2HD1  LEU  77          2HD1      LEU  77   2.999  -0.789 -11.810
  597   3HD1  LEU  77          3HD1      LEU  77   2.783  -1.263 -10.126
  598   1HD2  LEU  77          1HD2      LEU  77  -0.056   0.869 -10.488
  599   2HD2  LEU  77          2HD2      LEU  77   0.671   0.005  -9.130
  600   3HD2  LEU  77          3HD2      LEU  77   0.532  -0.779 -10.705
  601    H    GLY  78           H        GLY  78   0.409   3.332  -7.470
  602   1HA   GLY  78          2HA       GLY  78   2.445   4.848  -5.946
  603   2HA   GLY  78          1HA       GLY  78   0.734   5.254  -5.911
  604    H    TYR  79           H        TYR  79   1.191   5.013  -3.528
  605    HA   TYR  79           HA       TYR  79   0.692   2.224  -2.742
  606   1HB   TYR  79          2HB       TYR  79   2.451   4.153  -1.202
  607   2HB   TYR  79          1HB       TYR  79   2.071   2.497  -0.738
  608    HD1  TYR  79           HD1      TYR  79   4.570   4.462  -1.998
  609    HD2  TYR  79           HD2      TYR  79   2.636   0.770  -2.840
  610    HE1  TYR  79           HE1      TYR  79   6.560   3.710  -3.220
  611    HE2  TYR  79           HE2      TYR  79   4.616   0.003  -4.077
  612    HH   TYR  79           HH       TYR  79   6.606   1.282  -5.342
  613    H    PHE  80           H        PHE  80  -0.446   1.951  -0.740
  614    HA   PHE  80           HA       PHE  80  -1.766   4.229   0.458
  615   1HB   PHE  80          2HB       PHE  80  -4.062   3.264   0.030
  616   2HB   PHE  80          1HB       PHE  80  -3.263   3.919  -1.397
  617    HD1  PHE  80           HD1      PHE  80  -4.297   0.806   0.311
  618    HD2  PHE  80           HD2      PHE  80  -2.702   2.527  -3.243
  619    HE1  PHE  80           HE1      PHE  80  -4.653  -1.319  -0.876
  620    HE2  PHE  80           HE2      PHE  80  -3.059   0.405  -4.432
  621    HZ   PHE  80           HZ       PHE  80  -4.035  -1.520  -3.250
  622    HA   PRO  81           HA       PRO  81  -1.577   1.454   3.951
  623   1HB   PRO  81          2HB       PRO  81  -3.842   2.767   5.233
  624   2HB   PRO  81          1HB       PRO  81  -2.135   2.817   5.676
  625   1HG   PRO  81          2HG       PRO  81  -3.448   4.965   4.684
  626   2HG   PRO  81          1HG       PRO  81  -1.721   4.680   4.398
  627   1HD   PRO  81          2HD       PRO  81  -4.054   4.146   2.589
  628   2HD   PRO  81          1HD       PRO  81  -2.470   4.855   2.205
  629    H    SER  82           H        SER  82  -2.393  -0.511   4.403
  630    HA   SER  82           HA       SER  82  -4.629  -1.537   3.020
  631   1HB   SER  82          2HB       SER  82  -4.240  -3.588   4.319
  632   2HB   SER  82          1HB       SER  82  -2.722  -2.925   3.718
  633    HG   SER  82           HG       SER  82  -3.564  -3.290   6.285
  634    H    SER  83           H        SER  83  -4.369   0.118   6.009
  635    HA   SER  83           HA       SER  83  -6.592  -0.931   7.386
  636   1HB   SER  83          2HB       SER  83  -6.425   1.111   8.768
  637   2HB   SER  83          1HB       SER  83  -4.860   0.333   8.530
  638    HG   SER  83           HG       SER  83  -4.323   1.896   7.045
  639    H    ILE  84           H        ILE  84  -6.470   1.260   4.685
  640    HA   ILE  84           HA       ILE  84  -9.159   2.245   5.295
  641    HB   ILE  84           HB       ILE  84  -8.942   3.816   3.498
  642   1HG1  ILE  84          1HG1      ILE  84  -6.153   2.794   2.979
  643   2HG1  ILE  84          2HG1      ILE  84  -7.547   2.255   2.042
  644   1HG2  ILE  84          1HG2      ILE  84  -7.505   5.259   4.554
  645   2HG2  ILE  84          2HG2      ILE  84  -6.303   4.009   4.871
  646   3HG2  ILE  84          3HG2      ILE  84  -7.786   4.068   5.824
  647   1HD1  ILE  84          1HD1      ILE  84  -7.719   5.012   2.019
  648   2HD1  ILE  84          2HD1      ILE  84  -7.172   3.971   0.703
  649   3HD1  ILE  84          3HD1      ILE  84  -6.001   4.671   1.820
  650    H    VAL  85           H        VAL  85  -7.899  -0.400   3.734
  651    HA   VAL  85           HA       VAL  85 -10.224  -0.490   1.915
  652    HB   VAL  85           HB       VAL  85  -8.994  -1.935   0.397
  653   1HG1  VAL  85          1HG1      VAL  85  -7.411   0.549   1.032
  654   2HG1  VAL  85          2HG1      VAL  85  -8.879   0.484   0.058
  655   3HG1  VAL  85          3HG1      VAL  85  -7.414  -0.326  -0.499
  656   1HG2  VAL  85          1HG2      VAL  85  -7.436  -3.198   1.474
  657   2HG2  VAL  85          2HG2      VAL  85  -6.945  -1.881   2.543
  658   3HG2  VAL  85          3HG2      VAL  85  -6.375  -1.919   0.875
  659    H    ARG  86           H        ARG  86 -11.012  -2.645   1.387
  660    HA   ARG  86           HA       ARG  86 -10.588  -4.643   3.491
  661   1HB   ARG  86          1HB       ARG  86 -12.625  -3.322   4.036
  662   2HB   ARG  86          2HB       ARG  86 -13.308  -3.784   2.484
  663   1HG   ARG  86          1HG       ARG  86 -13.270  -6.132   3.164
  664   2HG   ARG  86          2HG       ARG  86 -12.584  -5.667   4.722
  665   1HD   ARG  86          1HD       ARG  86 -14.575  -4.346   5.213
  666   2HD   ARG  86          2HD       ARG  86 -15.256  -4.780   3.647
  667    HE   ARG  86           HE       ARG  86 -14.654  -7.137   5.025
  668   1HH1  ARG  86          1HH1      ARG  86 -16.891  -4.446   5.265
  669   2HH1  ARG  86          2HH1      ARG  86 -18.112  -5.383   6.057
  670   1HH2  ARG  86          1HH2      ARG  86 -16.267  -8.349   6.064
  671   2HH2  ARG  86          2HH2      ARG  86 -17.759  -7.591   6.509
  672    H    GLU  87           H        GLU  87  -9.913  -6.412   2.524
  673    HA   GLU  87           HA       GLU  87 -10.352  -6.881  -0.277
  674   1HB   GLU  87          1HB       GLU  87  -8.906  -8.400   1.879
  675   2HB   GLU  87          2HB       GLU  87  -9.088  -9.043   0.255
  676   1HG   GLU  87          2HG       GLU  87  -7.792  -6.408   0.903
  677   2HG   GLU  87          1HG       GLU  87  -6.919  -7.923   0.694
  678    H    ASP  88           H        ASP  88 -11.499  -8.520  -1.239
  679    HA   ASP  88           HA       ASP  88 -13.103 -10.293   0.415
  680   1HB   ASP  88          2HB       ASP  88 -15.205  -9.683  -0.719
  681   2HB   ASP  88          1HB       ASP  88 -14.538  -8.336   0.197
  682    H    GLN  89           H        GLN  89 -11.868  -9.356  -2.744
  683    HA   GLN  89           HA       GLN  89 -12.218 -12.161  -3.602
  684   1HB   GLN  89          2HB       GLN  89 -13.865 -10.286  -4.544
  685   2HB   GLN  89          1HB       GLN  89 -12.528 -10.024  -5.653
  686   1HG   GLN  89          1HG       GLN  89 -13.791 -12.713  -5.212
  687   2HG   GLN  89          2HG       GLN  89 -14.345 -11.576  -6.437
  688   1HE2  GLN  89          1HE2      GLN  89 -12.494 -14.216  -5.952
  689   2HE2  GLN  89          2HE2      GLN  89 -11.384 -14.056  -7.269
  690    H    THR  90           H        THR  90 -10.586 -13.045  -4.798
  691    HA   THR  90           HA       THR  90  -8.171 -11.398  -5.208
  692    HB   THR  90           HB       THR  90  -8.407 -14.407  -4.960
  693    HG1  THR  90           HG1      THR  90  -8.796 -13.495  -2.977
  694   1HG2  THR  90          1HG2      THR  90  -6.329 -13.109  -6.111
  695   2HG2  THR  90          2HG2      THR  90  -6.207 -14.652  -5.267
  696   3HG2  THR  90          3HG2      THR  90  -5.823 -13.152  -4.423
  697    H    LEU  91           H        LEU  91  -7.615 -10.945  -7.243
  698    HA   LEU  91           HA       LEU  91  -9.051 -12.164  -9.450
  699   1HB   LEU  91          1HB       LEU  91  -6.930 -10.023  -9.541
  700   2HB   LEU  91          2HB       LEU  91  -8.080 -10.421 -10.801
  701    HG   LEU  91           HG       LEU  91  -8.897  -9.329  -8.110
  702   1HD1  LEU  91          1HD2      LEU  91  -7.692  -7.549  -8.921
  703   2HD1  LEU  91          2HD2      LEU  91  -9.292  -7.227  -9.590
  704   3HD1  LEU  91          3HD2      LEU  91  -8.040  -7.943 -10.605
  705   1HD2  LEU  91          1HD1      LEU  91 -10.921  -8.653  -9.518
  706   2HD2  LEU  91          2HD1      LEU  91 -10.755 -10.355  -9.076
  707   3HD2  LEU  91          3HD1      LEU  91 -10.322  -9.818 -10.700
  708    H    LYS  92           H        LYS  92  -5.953 -12.398  -7.973
  709    HA   LYS  92           HA       LYS  92  -5.162 -14.602  -9.594
  710   1HB   LYS  92          2HB       LYS  92  -4.602 -12.716 -11.128
  711   2HB   LYS  92          1HB       LYS  92  -3.531 -12.057  -9.906
  712   1HG   LYS  92          2HG       LYS  92  -1.903 -13.224 -10.879
  713   2HG   LYS  92          1HG       LYS  92  -2.652 -14.667 -10.201
  714   1HD   LYS  92          2HD       LYS  92  -3.318 -13.518 -12.917
  715   2HD   LYS  92          1HD       LYS  92  -2.162 -14.817 -12.644
  716   1HE   LYS  92          2HE       LYS  92  -3.935 -16.210 -11.693
  717   2HE   LYS  92          1HE       LYS  92  -5.100 -14.914 -11.959
  718   1HZ   LYS  92          1HZ       LYS  92  -4.351 -15.091 -14.390
  719   2HZ   LYS  92          2HZ       LYS  92  -5.383 -16.285 -13.783
  720   3HZ   LYS  92          3HZ       LYS  92  -3.731 -16.603 -13.952
  721    HA   PRO  93           HA       PRO  93  -3.294 -15.421  -5.590
  722   1HB   PRO  93          2HB       PRO  93  -1.411 -17.189  -6.955
  723   2HB   PRO  93          1HB       PRO  93  -2.609 -17.565  -5.729
  724   1HG   PRO  93          1HG       PRO  93  -2.802 -18.225  -8.393
  725   2HG   PRO  93          2HG       PRO  93  -4.147 -18.165  -7.244
  726   1HD   PRO  93          1HD       PRO  93  -3.536 -16.384  -9.456
  727   2HD   PRO  93          2HD       PRO  93  -5.010 -16.525  -8.489
  728    H    GLY  94           H        GLY  94  -1.905 -14.126  -4.610
  729   1HA   GLY  94          1HA       GLY  94   0.515 -13.233  -6.045
  730   2HA   GLY  94          2HA       GLY  94  -0.249 -12.374  -4.710
  731    H    LYS  95           H        LYS  95   1.868 -14.946  -5.634
  732    HA   LYS  95           HA       LYS  95   2.809 -15.150  -2.877
  733   1HB   LYS  95          1HB       LYS  95   3.050 -17.710  -3.422
  734   2HB   LYS  95          2HB       LYS  95   1.533 -17.053  -2.820
  735   1HG   LYS  95          2HG       LYS  95   0.762 -16.870  -5.183
  736   2HG   LYS  95          1HG       LYS  95   2.226 -17.717  -5.670
  737   1HD   LYS  95          2HD       LYS  95   0.501 -19.341  -5.583
  738   2HD   LYS  95          1HD       LYS  95   1.501 -19.606  -4.156
  739   1HE   LYS  95          2HE       LYS  95  -1.019 -17.957  -4.089
  740   2HE   LYS  95          1HE       LYS  95  -1.032 -19.704  -3.857
  741   1HZ   LYS  95          1HZ       LYS  95  -0.820 -19.085  -1.713
  742   2HZ   LYS  95          2HZ       LYS  95  -0.100 -17.599  -2.077
  743   3HZ   LYS  95          3HZ       LYS  95   0.826 -19.014  -2.101
  744    H    VAL  96           H        VAL  96   3.934 -13.793  -5.160
  745    HA   VAL  96           HA       VAL  96   6.453 -15.306  -5.445
  746    HB   VAL  96           HB       VAL  96   5.291 -13.377  -7.476
  747   1HG1  VAL  96          1HG1      VAL  96   7.165 -14.499  -8.891
  748   2HG1  VAL  96          2HG1      VAL  96   7.879 -14.871  -7.321
  749   3HG1  VAL  96          3HG1      VAL  96   7.578 -13.194  -7.778
  750   1HG2  VAL  96          1HG2      VAL  96   4.345 -15.839  -7.106
  751   2HG2  VAL  96          2HG2      VAL  96   5.735 -16.240  -8.114
  752   3HG2  VAL  96          3HG2      VAL  96   4.507 -15.123  -8.710
  753    H    ASP  97           H        ASP  97   7.935 -14.399  -4.185
  754    HA   ASP  97           HA       ASP  97   7.774 -11.658  -3.330
  755   1HB   ASP  97          2HB       ASP  97   8.567 -13.544  -1.879
  756   2HB   ASP  97          1HB       ASP  97  10.009 -13.648  -2.877
  757    H    VAL  98           H        VAL  98   8.508  -9.984  -4.421
  758    HA   VAL  98           HA       VAL  98  10.879 -10.298  -6.151
  759    HB   VAL  98           HB       VAL  98   8.604  -8.389  -6.736
  760   1HG1  VAL  98          1HG1      VAL  98  11.193  -8.438  -7.675
  761   2HG1  VAL  98          2HG1      VAL  98   9.826  -7.635  -8.447
  762   3HG1  VAL  98          3HG1      VAL  98  10.287  -9.263  -8.944
  763   1HG2  VAL  98          1HG2      VAL  98   8.664 -11.220  -7.150
  764   2HG2  VAL  98          2HG2      VAL  98   8.679 -10.395  -8.709
  765   3HG2  VAL  98          3HG2      VAL  98   7.393 -10.062  -7.547
  766    H    LYS  99           H        LYS  99  12.488  -8.862  -5.797
  767    HA   LYS  99           HA       LYS  99  12.349  -7.074  -3.556
  768   1HB   LYS  99          1HB       LYS  99  14.523  -7.254  -5.655
  769   2HB   LYS  99          2HB       LYS  99  14.668  -6.591  -4.037
  770   1HG   LYS  99          2HG       LYS  99  14.483  -8.733  -3.046
  771   2HG   LYS  99          1HG       LYS  99  14.057  -9.478  -4.589
  772   1HD   LYS  99          2HD       LYS  99  16.293  -8.790  -5.456
  773   2HD   LYS  99          1HD       LYS  99  16.700  -8.231  -3.833
  774   1HE   LYS  99          2HE       LYS  99  15.918 -11.056  -4.546
  775   2HE   LYS  99          1HE       LYS  99  17.574 -10.491  -4.342
  776   1HZ   LYS  99          1HZ       LYS  99  17.206 -11.250  -2.262
  777   2HZ   LYS  99          2HZ       LYS  99  15.532 -11.022  -2.334
  778   3HZ   LYS  99          3HZ       LYS  99  16.552  -9.705  -2.043
  779    H    THR 100           H        THR 100  12.929  -4.737  -3.692
  780    HA   THR 100           HA       THR 100  11.651  -3.494  -6.033
  781    HB   THR 100           HB       THR 100  11.353  -1.500  -4.669
  782    HG1  THR 100           HG1      THR 100  12.917  -1.282  -3.259
  783   1HG2  THR 100          1HG2      THR 100   9.573  -2.261  -3.590
  784   2HG2  THR 100          2HG2      THR 100  10.537  -3.325  -2.566
  785   3HG2  THR 100          3HG2      THR 100  10.037  -3.860  -4.170
  786    H    ASP 101           H        ASP 101  12.568  -1.304  -6.645
  787    HA   ASP 101           HA       ASP 101  15.515  -1.391  -6.627
  788   1HB   ASP 101          2HB       ASP 101  13.683  -0.461  -8.845
  789   2HB   ASP 101          1HB       ASP 101  15.439  -0.357  -8.876
  790    H    LYS 102           H        LYS 102  16.300   0.953  -7.491
  791    HA   LYS 102           HA       LYS 102  15.487   2.767  -5.418
  792   1HB   LYS 102          2HB       LYS 102  17.217   4.267  -6.304
  793   2HB   LYS 102          1HB       LYS 102  17.838   2.645  -6.047
  794   1HG   LYS 102          2HG       LYS 102  17.892   2.186  -8.361
  795   2HG   LYS 102          1HG       LYS 102  16.903   3.595  -8.740
  796   1HD   LYS 102          2HD       LYS 102  19.653   3.783  -7.521
  797   2HD   LYS 102          1HD       LYS 102  19.359   3.818  -9.259
  798   1HE   LYS 102          2HE       LYS 102  17.934   5.804  -8.968
  799   2HE   LYS 102          1HE       LYS 102  18.251   5.768  -7.233
  800   1HZ   LYS 102          1HZ       LYS 102  20.546   6.217  -7.621
  801   2HZ   LYS 102          2HZ       LYS 102  19.649   7.361  -8.486
  802   3HZ   LYS 102          3HZ       LYS 102  20.365   6.060  -9.296
  803    H    TRP 103           H        TRP 103  14.770   2.358  -8.795
  804    HA   TRP 103           HA       TRP 103  13.763   4.998  -9.247
  805   1HB   TRP 103          2HB       TRP 103  13.243   2.457 -10.809
  806   2HB   TRP 103          1HB       TRP 103  12.877   4.088 -11.353
  807    HD1  TRP 103           HD1      TRP 103  15.811   1.694 -10.839
  808    HE1  TRP 103           HE1      TRP 103  17.865   2.616 -12.083
  809    HE3  TRP 103           HE3      TRP 103  13.957   6.265 -12.201
  810    HZ2  TRP 103           HZ2      TRP 103  18.606   4.965 -13.453
  811    HZ3  TRP 103           HZ3      TRP 103  15.408   7.790 -13.478
  812    HH2  TRP 103           HH2      TRP 103  17.684   7.152 -14.090
  813    H    ASP 104           H        ASP 104  12.535   2.231  -7.701
  814    HA   ASP 104           HA       ASP 104   9.746   2.737  -8.154
  815   1HB   ASP 104          2HB       ASP 104  11.270   0.887  -6.330
  816   2HB   ASP 104          1HB       ASP 104   9.517   1.015  -6.253
  817    H    PHE 105           H        PHE 105  12.133   3.902  -5.960
  818    HA   PHE 105           HA       PHE 105  10.039   5.307  -4.439
  819   1HB   PHE 105          2HB       PHE 105  12.534   3.994  -3.345
  820   2HB   PHE 105          1HB       PHE 105  11.592   5.167  -2.436
  821    HD1  PHE 105           HD1      PHE 105   9.567   4.574  -1.378
  822    HD2  PHE 105           HD2      PHE 105  11.548   1.772  -3.896
  823    HE1  PHE 105           HE1      PHE 105   8.130   2.780  -0.511
  824    HE2  PHE 105           HE2      PHE 105  10.101  -0.025  -3.033
  825    HZ   PHE 105           HZ       PHE 105   8.393   0.480  -1.339
  826    H    TYR 106           H        TYR 106  11.147   6.496  -6.632
  827    HA   TYR 106           HA       TYR 106  12.545   8.743  -5.431
  828   1HB   TYR 106          2HB       TYR 106  14.395   7.302  -6.104
  829   2HB   TYR 106          1HB       TYR 106  13.737   7.160  -7.724
  830    HD1  TYR 106           HD1      TYR 106  15.342   8.050  -9.117
  831    HD2  TYR 106           HD2      TYR 106  14.271  10.243  -5.619
  832    HE1  TYR 106           HE1      TYR 106  16.734   9.930  -9.868
  833    HE2  TYR 106           HE2      TYR 106  15.661  12.124  -6.375
  834    HH   TYR 106           HH       TYR 106  17.465  12.614  -7.826
  835    H    CYS 107           H        CYS 107  11.489  10.478  -6.037
  836    HA   CYS 107           HA       CYS 107  10.263  10.584  -8.718
  837   1HB   CYS 107          2HB       CYS 107   9.385  11.836  -6.113
  838   2HB   CYS 107          1HB       CYS 107   8.741  12.334  -7.673
  839    H    GLN 108           HN       GLN 108  10.218  12.676  -9.761
  840    HA   GLN 108           HA       GLN 108  12.249  14.572  -8.802
  841   1HB   GLN 108          2HB       GLN 108  11.983  13.520 -11.626
  842   2HB   GLN 108          1HB       GLN 108  12.977  14.897 -11.177
  843   1HG   GLN 108          2HG       GLN 108  14.313  13.448  -9.722
  844   2HG   GLN 108          1HG       GLN 108  13.325  12.072 -10.197
  845   1HE2  GLN 108          1HE2      GLN 108  13.599  13.939 -12.924
  846   2HE2  GLN 108          2HE2      GLN 108  14.986  13.197 -13.627
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1   7.562  17.378  -4.481
    2   2H    MET   1          2HT       MET   1   7.560  16.147  -3.323
    3   3H    MET   1          3HT       MET   1   6.564  16.026  -4.684
    4    HA   MET   1           HA       MET   1   8.293  14.625  -5.220
    5   1HB   MET   1          2HB       MET   1   8.963  17.375  -6.291
    6   2HB   MET   1          1HB       MET   1   9.592  15.872  -6.949
    7   1HG   MET   1          2HG       MET   1   7.323  15.163  -7.505
    8   2HG   MET   1          1HG       MET   1   6.692  16.672  -6.846
    9   1HE   MET   1          1HE       MET   1   5.458  16.435  -8.968
   10   2HE   MET   1          2HE       MET   1   6.298  15.829 -10.395
   11   3HE   MET   1          3HE       MET   1   5.875  17.536 -10.281
   12    H    GLY   2           H        GLY   2  10.208  13.756  -4.666
   13   1HA   GLY   2          2HA       GLY   2  12.640  14.732  -4.183
   14   2HA   GLY   2          1HA       GLY   2  11.826  15.176  -2.690
   15    HA   PRO   3           HA       PRO   3  13.154  10.695  -2.437
   16   1HB   PRO   3          2HB       PRO   3  15.685  10.932  -1.400
   17   2HB   PRO   3          1HB       PRO   3  15.316  10.751  -3.111
   18   1HG   PRO   3          1HG       PRO   3  16.386  13.027  -1.727
   19   2HG   PRO   3          2HG       PRO   3  16.134  12.824  -3.453
   20   1HD   PRO   3          1HD       PRO   3  14.509  14.243  -1.492
   21   2HD   PRO   3          2HD       PRO   3  14.496  14.371  -3.260
   22    H    MET   4           H        MET   4  12.448   9.652  -0.714
   23    HA   MET   4           HA       MET   4  13.120  10.597   1.974
   24   1HB   MET   4          2HB       MET   4  10.883  10.611   2.739
   25   2HB   MET   4          1HB       MET   4  10.822  11.441   1.195
   26   1HG   MET   4          1HG       MET   4   9.902   9.511   0.121
   27   2HG   MET   4          2HG       MET   4  10.109   8.548   1.584
   28   1HE   MET   4          1HE       MET   4   6.368   8.615   1.950
   29   2HE   MET   4          2HE       MET   4   7.879   7.707   2.005
   30   3HE   MET   4          3HE       MET   4   7.269   8.313   0.464
   31    HA   PRO   5           HA       PRO   5  13.823   6.357   3.271
   32   1HB   PRO   5          2HB       PRO   5  11.197   6.314   4.714
   33   2HB   PRO   5          1HB       PRO   5  12.781   5.739   5.250
   34   1HG   PRO   5          2HG       PRO   5  11.864   8.057   6.122
   35   2HG   PRO   5          1HG       PRO   5  13.565   7.901   5.644
   36   1HD   PRO   5          1HD       PRO   5  11.300   9.205   4.205
   37   2HD   PRO   5          2HD       PRO   5  13.015   9.662   4.268
   38    H    LYS   6           H        LYS   6  13.580   4.438   2.329
   39    HA   LYS   6           HA       LYS   6  11.790   4.033   0.208
   40   1HB   LYS   6          2HB       LYS   6  13.446   1.992   1.697
   41   2HB   LYS   6          1HB       LYS   6  12.705   1.755   0.124
   42   1HG   LYS   6          1HG       LYS   6  14.113   3.483  -0.832
   43   2HG   LYS   6          2HG       LYS   6  14.824   3.800   0.750
   44   1HD   LYS   6          2HD       LYS   6  16.384   2.433  -0.369
   45   2HD   LYS   6          1HD       LYS   6  15.543   1.361   0.753
   46   1HE   LYS   6          2HE       LYS   6  15.795   0.256  -1.376
   47   2HE   LYS   6          1HE       LYS   6  14.091   0.610  -1.095
   48   1HZ   LYS   6          1HZ       LYS   6  14.793   1.113  -3.369
   49   2HZ   LYS   6          2HZ       LYS   6  15.907   2.242  -2.785
   50   3HZ   LYS   6          3HZ       LYS   6  14.250   2.497  -2.563
   51    H    LEU   7           H        LEU   7  11.530   3.291   3.581
   52    HA   LEU   7           HA       LEU   7   9.789   2.615   4.875
   53   1HB   LEU   7          2HB       LEU   7   8.231   2.211   2.314
   54   2HB   LEU   7          1HB       LEU   7   7.572   2.083   3.932
   55    HG   LEU   7           HG       LEU   7   8.792   4.633   2.887
   56   1HD1  LEU   7          1HD2      LEU   7   6.706   3.579   1.644
   57   2HD1  LEU   7          2HD2      LEU   7   6.831   5.311   1.958
   58   3HD1  LEU   7          3HD2      LEU   7   5.850   4.292   3.012
   59   1HD2  LEU   7          1HD1      LEU   7   6.870   5.295   4.692
   60   2HD2  LEU   7          2HD1      LEU   7   8.587   5.131   5.062
   61   3HD2  LEU   7          3HD1      LEU   7   7.486   3.788   5.369
   62    H    ALA   8           H        ALA   8  10.257   0.598   1.980
   63    HA   ALA   8           HA       ALA   8  10.638  -1.722   3.706
   64   1HB   ALA   8          1HB       ALA   8   9.235  -2.809   1.595
   65   2HB   ALA   8          2HB       ALA   8   8.354  -1.322   1.949
   66   3HB   ALA   8          3HB       ALA   8   8.610  -2.520   3.218
   67    H    ASP   9           H        ASP   9  11.445  -3.634   2.344
   68    HA   ASP   9           HA       ASP   9  13.344  -2.603   0.345
   69   1HB   ASP   9          1HB       ASP   9  13.538  -5.005   2.174
   70   2HB   ASP   9          2HB       ASP   9  14.702  -4.636   0.908
   71    H    ARG  10           H        ARG  10  11.172  -5.316   1.071
   72    HA   ARG  10           HA       ARG  10  11.136  -5.948  -1.806
   73   1HB   ARG  10          2HB       ARG  10  11.216  -7.825   0.524
   74   2HB   ARG  10          1HB       ARG  10  10.551  -8.339  -1.011
   75   1HG   ARG  10          1HG       ARG  10  12.703  -9.077  -1.158
   76   2HG   ARG  10          2HG       ARG  10  12.844  -7.494  -1.919
   77   1HD   ARG  10          1HD       ARG  10  14.659  -7.818  -0.381
   78   2HD   ARG  10          2HD       ARG  10  13.605  -6.551   0.215
   79    HE   ARG  10           HE       ARG  10  13.215  -7.818   2.067
   80   1HH1  ARG  10          1HH1      ARG  10  14.469  -9.969  -0.410
   81   2HH1  ARG  10          2HH1      ARG  10  14.510 -11.340   0.644
   82   1HH2  ARG  10          1HH2      ARG  10  13.282  -9.630   3.428
   83   2HH2  ARG  10          2HH2      ARG  10  13.840 -11.149   2.813
   84    H    LYS  11           H        LYS  11   9.180  -6.837  -2.631
   85    HA   LYS  11           HA       LYS  11   6.775  -6.344  -1.015
   86   1HB   LYS  11          2HB       LYS  11   5.699  -5.439  -3.076
   87   2HB   LYS  11          1HB       LYS  11   7.023  -4.443  -2.484
   88   1HG   LYS  11          1HG       LYS  11   8.491  -5.625  -4.175
   89   2HG   LYS  11          2HG       LYS  11   7.004  -6.278  -4.864
   90   1HD   LYS  11          2HD       LYS  11   6.177  -4.037  -5.264
   91   2HD   LYS  11          1HD       LYS  11   7.613  -3.355  -4.499
   92   1HE   LYS  11          2HE       LYS  11   7.835  -3.251  -6.908
   93   2HE   LYS  11          1HE       LYS  11   9.008  -4.385  -6.243
   94   1HZ   LYS  11          1HZ       LYS  11   6.407  -5.171  -7.440
   95   2HZ   LYS  11          2HZ       LYS  11   7.635  -6.212  -6.921
   96   3HZ   LYS  11          3HZ       LYS  11   7.887  -5.206  -8.258
   97    H    LEU  12           H        LEU  12   4.831  -7.462  -1.912
   98    HA   LEU  12           HA       LEU  12   5.595  -9.987  -3.218
   99   1HB   LEU  12          2HB       LEU  12   3.328  -9.508  -1.275
  100   2HB   LEU  12          1HB       LEU  12   3.606 -11.007  -2.126
  101    HG   LEU  12           HG       LEU  12   4.376 -11.379   0.061
  102   1HD1  LEU  12          1HD2      LEU  12   6.277 -11.335  -2.051
  103   2HD1  LEU  12          2HD2      LEU  12   6.209 -12.393  -0.643
  104   3HD1  LEU  12          3HD2      LEU  12   7.093 -10.867  -0.556
  105   1HD2  LEU  12          1HD1      LEU  12   6.327  -9.632   0.783
  106   2HD2  LEU  12          2HD1      LEU  12   4.644  -9.553   1.305
  107   3HD2  LEU  12          3HD1      LEU  12   5.191  -8.580  -0.060
  108    H    CYS  13           H        CYS  13   4.874 -10.218  -5.193
  109    HA   CYS  13           HA       CYS  13   2.375  -8.874  -5.986
  110   1HB   CYS  13          2HB       CYS  13   4.791  -9.444  -7.721
  111   2HB   CYS  13          1HB       CYS  13   3.315  -8.635  -8.235
  112    H    ALA  14           H        ALA  14   1.556  -9.961  -8.147
  113    HA   ALA  14           HA       ALA  14   1.161 -12.767  -7.507
  114   1HB   ALA  14          1HB       ALA  14  -0.223 -10.766  -9.201
  115   2HB   ALA  14          2HB       ALA  14  -0.881 -11.926  -8.047
  116   3HB   ALA  14          3HB       ALA  14  -0.376 -12.465  -9.650
  117    H    ASP  15           H        ASP  15   2.992 -10.852  -9.700
  118    HA   ASP  15           HA       ASP  15   4.053 -13.273 -10.941
  119   1HB   ASP  15          2HB       ASP  15   2.274 -12.360 -12.440
  120   2HB   ASP  15          1HB       ASP  15   3.203 -10.883 -12.594
  121    H    GLN  16           H        GLN  16   5.988 -12.687 -12.318
  122    HA   GLN  16           HA       GLN  16   7.894 -11.332 -10.706
  123   1HB   GLN  16          2HB       GLN  16   8.368 -13.275 -12.218
  124   2HB   GLN  16          1HB       GLN  16   8.197 -12.191 -13.590
  125   1HG   GLN  16          2HG       GLN  16  10.082 -10.865 -12.783
  126   2HG   GLN  16          1HG       GLN  16  10.252 -11.948 -11.403
  127   1HE2  GLN  16          1HE2      GLN  16  11.806 -13.379 -11.620
  128   2HE2  GLN  16          2HE2      GLN  16  12.357 -14.076 -13.102
  129    H    GLU  17           H        GLU  17   5.815 -10.312 -13.260
  130    HA   GLU  17           HA       GLU  17   7.318  -7.885 -13.835
  131   1HB   GLU  17          2HB       GLU  17   4.596  -8.778 -14.814
  132   2HB   GLU  17          1HB       GLU  17   5.490  -7.390 -15.410
  133   1HG   GLU  17          2HG       GLU  17   7.260  -8.916 -16.194
  134   2HG   GLU  17          1HG       GLU  17   6.274 -10.278 -15.667
  135    H    CYS  18           H        CYS  18   4.880  -8.994 -11.721
  136    HA   CYS  18           HA       CYS  18   3.507  -8.048 -10.194
  137   1HB   CYS  18          1HB       CYS  18   5.749  -6.949  -9.582
  138   2HB   CYS  18          2HB       CYS  18   5.138  -5.515 -10.399
  139    H    SER  19           H        SER  19   3.056  -7.776 -13.052
  140    HA   SER  19           HA       SER  19   1.577  -5.295 -13.344
  141   1HB   SER  19          2HB       SER  19   2.935  -5.828 -15.212
  142   2HB   SER  19          1HB       SER  19   2.360  -7.486 -15.243
  143    HG   SER  19           HG       SER  19   1.315  -6.334 -16.853
  144    H    HIS  20           H        HIS  20   1.028  -8.291 -12.113
  145    HA   HIS  20           HA       HIS  20  -1.744  -8.506 -13.020
  146   1HB   HIS  20          2HB       HIS  20   0.212 -10.360 -11.755
  147   2HB   HIS  20          1HB       HIS  20  -1.491 -10.624 -11.419
  148    HD1  HIS  20           HD1      HIS  20  -0.745 -12.923 -12.681
  149    HD2  HIS  20           HD2      HIS  20  -1.201  -9.537 -15.043
  150    HE1  HIS  20           HE1      HIS  20  -1.117 -13.778 -14.999
  151    HE2  HIS  20           HE2      HIS  20  -1.451 -11.718 -16.416
  152    HA   PRO  21           HA       PRO  21  -3.100  -6.998  -9.026
  153   1HB   PRO  21          1HB       PRO  21  -5.772  -7.330  -9.393
  154   2HB   PRO  21          2HB       PRO  21  -4.835  -6.069 -10.193
  155   1HG   PRO  21          1HG       PRO  21  -6.090  -8.420 -11.349
  156   2HG   PRO  21          2HG       PRO  21  -5.377  -7.021 -12.167
  157   1HD   PRO  21          1HD       PRO  21  -4.222  -9.661 -11.666
  158   2HD   PRO  21          2HD       PRO  21  -3.667  -8.377 -12.765
  159    H    ILE  22           H        ILE  22  -2.882  -8.057  -7.156
  160    HA   ILE  22           HA       ILE  22  -3.397 -10.831  -6.880
  161    HB   ILE  22           HB       ILE  22  -2.931  -8.831  -4.657
  162   1HG1  ILE  22          2HG1      ILE  22  -0.874 -10.604  -5.990
  163   2HG1  ILE  22          1HG1      ILE  22  -1.158  -8.938  -6.491
  164   1HG2  ILE  22          1HG2      ILE  22  -1.981 -11.573  -4.304
  165   2HG2  ILE  22          2HG2      ILE  22  -3.734 -11.462  -4.470
  166   3HG2  ILE  22          3HG2      ILE  22  -2.907 -10.546  -3.209
  167   1HD1  ILE  22          1HD1      ILE  22   0.680  -8.837  -5.060
  168   2HD1  ILE  22          2HD1      ILE  22  -0.049  -9.946  -3.899
  169   3HD1  ILE  22          3HD1      ILE  22  -0.683  -8.309  -4.071
  170    H    SER  23           H        SER  23  -4.872  -8.139  -5.020
  171    HA   SER  23           HA       SER  23  -7.404  -9.633  -5.106
  172   1HB   SER  23          2HB       SER  23  -7.802  -9.032  -2.734
  173   2HB   SER  23          1HB       SER  23  -6.394 -10.072  -2.940
  174    HG   SER  23           HG       SER  23  -6.390  -7.900  -1.630
  175    H    MET  24           H        MET  24  -9.228  -8.500  -5.277
  176    HA   MET  24           HA       MET  24  -9.020  -5.657  -5.893
  177   1HB   MET  24          1HB       MET  24 -10.258  -7.437  -7.318
  178   2HB   MET  24          2HB       MET  24 -11.506  -7.352  -6.083
  179   1HG   MET  24          2HG       MET  24 -11.544  -4.846  -6.520
  180   2HG   MET  24          1HG       MET  24 -10.590  -5.207  -7.956
  181   1HE   MET  24          1HE       MET  24 -14.249  -7.441  -6.939
  182   2HE   MET  24          2HE       MET  24 -14.805  -5.768  -6.877
  183   3HE   MET  24          3HE       MET  24 -13.433  -6.280  -5.893
  184    H    ALA  25           H        ALA  25  -9.298  -4.284  -4.219
  185    HA   ALA  25           HA       ALA  25 -11.216  -5.062  -2.114
  186   1HB   ALA  25          1HB       ALA  25  -8.916  -5.090  -1.308
  187   2HB   ALA  25          2HB       ALA  25  -9.850  -3.819  -0.520
  188   3HB   ALA  25          3HB       ALA  25  -8.712  -3.410  -1.803
  189    H    VAL  26           H        VAL  26 -12.658  -3.589  -1.364
  190    HA   VAL  26           HA       VAL  26 -13.034  -1.184  -3.004
  191    HB   VAL  26           HB       VAL  26 -14.901  -2.373  -0.930
  192   1HG1  VAL  26          1HG2      VAL  26 -15.448  -0.359  -3.112
  193   2HG1  VAL  26          2HG2      VAL  26 -15.276   0.018  -1.398
  194   3HG1  VAL  26          3HG2      VAL  26 -16.615  -0.989  -1.948
  195   1HG2  VAL  26          1HG1      VAL  26 -14.661  -2.828  -3.886
  196   2HG2  VAL  26          2HG1      VAL  26 -16.187  -3.068  -3.037
  197   3HG2  VAL  26          3HG1      VAL  26 -14.769  -4.017  -2.588
  198    H    ALA  27           H        ALA  27 -12.785   0.861  -2.241
  199    HA   ALA  27           HA       ALA  27 -11.404   1.296   0.209
  200   1HB   ALA  27          1HB       ALA  27 -11.181   2.668  -1.893
  201   2HB   ALA  27          2HB       ALA  27 -11.321   3.580  -0.387
  202   3HB   ALA  27          3HB       ALA  27 -12.715   3.426  -1.462
  203    H    LEU  28           H        LEU  28 -12.115   1.740   2.160
  204    HA   LEU  28           HA       LEU  28 -14.972   1.895   2.650
  205   1HB   LEU  28          2HB       LEU  28 -12.595   1.547   4.465
  206   2HB   LEU  28          1HB       LEU  28 -14.238   1.699   5.060
  207    HG   LEU  28           HG       LEU  28 -13.331  -0.490   3.188
  208   1HD1  LEU  28          1HD2      LEU  28 -13.168  -0.224   6.127
  209   2HD1  LEU  28          2HD2      LEU  28 -12.163  -1.148   5.011
  210   3HD1  LEU  28          3HD2      LEU  28 -13.741  -1.767   5.496
  211   1HD2  LEU  28          1HD1      LEU  28 -15.897   0.374   4.052
  212   2HD2  LEU  28          2HD1      LEU  28 -15.562  -1.192   4.792
  213   3HD2  LEU  28          3HD1      LEU  28 -15.481  -1.011   3.040
  214    H    GLN  29           H        GLN  29 -12.225   4.024   2.638
  215    HA   GLN  29           HA       GLN  29 -13.962   6.233   3.388
  216   1HB   GLN  29          1HB       GLN  29 -12.405   7.100   5.095
  217   2HB   GLN  29          2HB       GLN  29 -13.095   5.549   5.549
  218   1HG   GLN  29          2HG       GLN  29 -11.053   4.414   4.979
  219   2HG   GLN  29          1HG       GLN  29 -10.358   5.907   4.347
  220   1HE2  GLN  29          1HE2      GLN  29  -9.044   6.931   5.659
  221   2HE2  GLN  29          2HE2      GLN  29  -9.049   6.846   7.383
  222    H    ASP  30           H        ASP  30 -12.330   8.311   3.567
  223    HA   ASP  30           HA       ASP  30 -11.180   8.516   0.898
  224   1HB   ASP  30          2HB       ASP  30 -11.708  10.623   3.009
  225   2HB   ASP  30          1HB       ASP  30 -11.106  10.947   1.386
  226    H    TYR  31           H        TYR  31  -9.101   9.438   0.521
  227    HA   TYR  31           HA       TYR  31  -7.227   9.648   2.721
  228   1HB   TYR  31          2HB       TYR  31  -7.319   7.186   1.917
  229   2HB   TYR  31          1HB       TYR  31  -6.520   7.778   0.465
  230    HD1  TYR  31           HD1      TYR  31  -4.199   7.933   0.404
  231    HD2  TYR  31           HD2      TYR  31  -6.149   7.747   4.182
  232    HE1  TYR  31           HE1      TYR  31  -2.014   7.777   1.518
  233    HE2  TYR  31           HE2      TYR  31  -3.970   7.589   5.306
  234    HH   TYR  31           HH       TYR  31  -1.411   8.440   4.483
  235    H    MET  32           H        MET  32  -5.689  11.142   2.316
  236    HA   MET  32           HA       MET  32  -5.527  12.226  -0.419
  237   1HB   MET  32          2HB       MET  32  -4.954  13.585   2.223
  238   2HB   MET  32          1HB       MET  32  -4.749  14.324   0.642
  239   1HG   MET  32          2HG       MET  32  -7.112  14.140   0.212
  240   2HG   MET  32          1HG       MET  32  -7.357  13.333   1.757
  241   1HE   MET  32          1HE       MET  32  -6.027  17.737   1.331
  242   2HE   MET  32          2HE       MET  32  -6.706  16.841  -0.027
  243   3HE   MET  32          3HE       MET  32  -5.158  16.356   0.663
  244    H    ALA  33           H        ALA  33  -3.644  12.141  -1.482
  245    HA   ALA  33           HA       ALA  33  -1.351  10.937  -0.134
  246   1HB   ALA  33          1HB       ALA  33  -1.888   9.854  -2.141
  247   2HB   ALA  33          2HB       ALA  33  -0.459  10.822  -2.506
  248   3HB   ALA  33          3HB       ALA  33  -2.054  11.376  -3.017
  249    HA   PRO  34           HA       PRO  34   0.573  15.034   0.017
  250   1HB   PRO  34          2HB       PRO  34   2.812  13.780   1.371
  251   2HB   PRO  34          1HB       PRO  34   1.625  14.911   2.019
  252   1HG   PRO  34          2HG       PRO  34   1.761  12.308   2.774
  253   2HG   PRO  34          1HG       PRO  34   0.247  13.237   2.768
  254   1HD   PRO  34          2HD       PRO  34   1.282  11.280   0.741
  255   2HD   PRO  34          1HD       PRO  34  -0.357  11.456   1.403
  256    H    ASP  35           H        ASP  35   2.956  12.377  -0.220
  257    HA   ASP  35           HA       ASP  35   4.358  13.818  -2.334
  258   1HB   ASP  35          2HB       ASP  35   6.099  12.036  -2.023
  259   2HB   ASP  35          1HB       ASP  35   5.775  12.997  -0.585
  260    H    CYS  36           H        CYS  36   5.260  12.443  -4.182
  261    HA   CYS  36           HA       CYS  36   3.080  11.407  -5.653
  262   1HB   CYS  36          1HB       CYS  36   4.626  11.019  -7.424
  263   2HB   CYS  36          2HB       CYS  36   5.127  12.499  -6.611
  264    H    ARG  37           H        ARG  37   5.082   9.817  -3.360
  265    HA   ARG  37           HA       ARG  37   4.955   7.208  -4.554
  266   1HB   ARG  37          1HB       ARG  37   5.596   8.034  -1.721
  267   2HB   ARG  37          2HB       ARG  37   5.722   6.392  -2.331
  268   1HG   ARG  37          2HG       ARG  37   7.421   7.115  -3.929
  269   2HG   ARG  37          1HG       ARG  37   7.300   8.763  -3.304
  270   1HD   ARG  37          1HD       ARG  37   7.919   7.891  -1.057
  271   2HD   ARG  37          2HD       ARG  37   8.177   6.308  -1.785
  272    HE   ARG  37           HE       ARG  37  10.223   7.026  -2.448
  273   1HH1  ARG  37          1HH1      ARG  37   8.251   9.893  -1.947
  274   2HH1  ARG  37          2HH1      ARG  37   9.546  10.980  -2.309
  275   1HH2  ARG  37          1HH2      ARG  37  11.896   8.474  -2.904
  276   2HH2  ARG  37          2HH2      ARG  37  11.605  10.177  -2.855
  277    H    PHE  38           H        PHE  38   2.894   9.074  -2.433
  278    HA   PHE  38           HA       PHE  38   1.325   6.714  -1.747
  279   1HB   PHE  38          2HB       PHE  38   1.283   9.574  -0.848
  280   2HB   PHE  38          1HB       PHE  38  -0.121   8.552  -0.575
  281    HD1  PHE  38           HD1      PHE  38  -0.270   7.613   1.491
  282    HD2  PHE  38           HD2      PHE  38   3.609   8.285  -0.128
  283    HE1  PHE  38           HE1      PHE  38   0.742   6.736   3.552
  284    HE2  PHE  38           HE2      PHE  38   4.624   7.405   1.929
  285    HZ   PHE  38           HZ       PHE  38   3.191   6.629   3.773
  286    H    LEU  39           H        LEU  39  -1.047   6.758  -2.014
  287    HA   LEU  39           HA       LEU  39  -1.799   7.986  -4.591
  288   1HB   LEU  39          1HB       LEU  39  -1.483   5.574  -4.763
  289   2HB   LEU  39          2HB       LEU  39  -2.580   5.308  -3.428
  290    HG   LEU  39           HG       LEU  39  -4.450   6.155  -4.818
  291   1HD1  LEU  39          1HD2      LEU  39  -3.152   7.603  -6.325
  292   2HD1  LEU  39          2HD2      LEU  39  -4.160   6.454  -7.206
  293   3HD1  LEU  39          3HD2      LEU  39  -2.427   6.169  -7.054
  294   1HD2  LEU  39          1HD1      LEU  39  -4.027   3.779  -4.690
  295   2HD2  LEU  39          2HD1      LEU  39  -2.840   3.894  -5.992
  296   3HD2  LEU  39          3HD1      LEU  39  -4.544   4.208  -6.322
  297    H    THR  40           H        THR  40  -3.701   9.059  -4.741
  298    HA   THR  40           HA       THR  40  -5.182   9.557  -2.280
  299    HB   THR  40           HB       THR  40  -5.433  10.813  -5.031
  300    HG1  THR  40           HG1      THR  40  -4.201  12.418  -4.242
  301   1HG2  THR  40          1HG2      THR  40  -6.591  11.801  -2.436
  302   2HG2  THR  40          2HG2      THR  40  -7.515  11.028  -3.725
  303   3HG2  THR  40          3HG2      THR  40  -6.714  12.573  -4.017
  304    H    ILE  41           H        ILE  41  -6.995   8.512  -1.794
  305    HA   ILE  41           HA       ILE  41  -8.543   7.253  -3.977
  306    HB   ILE  41           HB       ILE  41  -8.042   6.042  -1.240
  307   1HG1  ILE  41          1HG1      ILE  41  -6.954   5.123  -3.916
  308   2HG1  ILE  41          2HG1      ILE  41  -6.036   6.105  -2.782
  309   1HG2  ILE  41          1HG2      ILE  41  -9.102   4.040  -2.174
  310   2HG2  ILE  41          2HG2      ILE  41  -9.395   4.894  -3.689
  311   3HG2  ILE  41          3HG2      ILE  41 -10.204   5.418  -2.212
  312   1HD1  ILE  41          1HD1      ILE  41  -6.498   4.206  -1.106
  313   2HD1  ILE  41          2HD1      ILE  41  -5.283   3.967  -2.363
  314   3HD1  ILE  41          3HD1      ILE  41  -6.889   3.256  -2.540
  315    H    HIS  42           H        HIS  42 -10.770   7.235  -3.782
  316    HA   HIS  42           HA       HIS  42 -11.889   8.884  -1.613
  317   1HB   HIS  42          2HB       HIS  42 -12.835   8.438  -4.450
  318   2HB   HIS  42          1HB       HIS  42 -13.846   9.179  -3.220
  319    HD1  HIS  42           HD1      HIS  42 -13.509  10.967  -5.440
  320    HD2  HIS  42           HD2      HIS  42 -10.547  10.722  -2.535
  321    HE1  HIS  42           HE1      HIS  42 -12.217  13.117  -5.610
  322    HE2  HIS  42           HE2      HIS  42 -10.496  12.987  -3.777
  323    H    ARG  43           H        ARG  43 -13.864   8.262  -0.669
  324    HA   ARG  43           HA       ARG  43 -14.097   5.530  -0.059
  325   1HB   ARG  43          2HB       ARG  43 -14.771   7.404   1.430
  326   2HB   ARG  43          1HB       ARG  43 -16.134   7.725   0.370
  327   1HG   ARG  43          1HG       ARG  43 -17.021   5.486   0.864
  328   2HG   ARG  43          2HG       ARG  43 -15.669   5.211   1.963
  329   1HD   ARG  43          2HD       ARG  43 -17.630   5.880   3.215
  330   2HD   ARG  43          1HD       ARG  43 -16.394   7.134   3.311
  331    HE   ARG  43           HE       ARG  43 -18.108   7.738   1.181
  332   1HH1  ARG  43          1HH1      ARG  43 -18.203   7.593   4.685
  333   2HH1  ARG  43          2HH1      ARG  43 -19.437   8.800   4.816
  334   1HH2  ARG  43          1HH2      ARG  43 -19.727   9.319   1.374
  335   2HH2  ARG  43          2HH2      ARG  43 -20.299   9.776   2.944
  336    H    GLY  44           H        GLY  44 -15.005   3.921  -1.154
  337   1HA   GLY  44          2HA       GLY  44 -16.940   2.928  -2.164
  338   2HA   GLY  44          1HA       GLY  44 -17.350   4.494  -2.840
  339    H    GLN  45           H        GLN  45 -14.220   4.504  -3.479
  340    HA   GLN  45           HA       GLN  45 -14.606   3.648  -6.200
  341   1HB   GLN  45          1HB       GLN  45 -12.220   4.766  -4.739
  342   2HB   GLN  45          2HB       GLN  45 -12.162   4.289  -6.428
  343   1HG   GLN  45          2HG       GLN  45 -14.089   5.886  -6.803
  344   2HG   GLN  45          1HG       GLN  45 -13.778   6.485  -5.174
  345   1HE2  GLN  45          1HE2      GLN  45 -13.241   7.118  -8.300
  346   2HE2  GLN  45          2HE2      GLN  45 -11.750   7.984  -8.196
  347    H    VAL  46           H        VAL  46 -13.476   2.057  -7.328
  348    HA   VAL  46           HA       VAL  46 -12.814  -0.302  -5.753
  349    HB   VAL  46           HB       VAL  46 -12.598  -0.143  -8.753
  350   1HG1  VAL  46          1HG1      VAL  46 -11.777  -2.161  -7.746
  351   2HG1  VAL  46          2HG1      VAL  46 -13.284  -2.515  -8.592
  352   3HG1  VAL  46          3HG1      VAL  46 -13.272  -2.365  -6.834
  353   1HG2  VAL  46          1HG2      VAL  46 -14.974   0.421  -7.323
  354   2HG2  VAL  46          2HG2      VAL  46 -15.148  -1.186  -8.030
  355   3HG2  VAL  46          3HG2      VAL  46 -14.765   0.195  -9.062
  356    H    VAL  47           H        VAL  47 -10.767  -0.797  -5.190
  357    HA   VAL  47           HA       VAL  47  -8.577   0.385  -6.776
  358    HB   VAL  47           HB       VAL  47  -8.349  -0.255  -3.837
  359   1HG1  VAL  47          1HG1      VAL  47  -6.707   1.804  -5.206
  360   2HG1  VAL  47          2HG1      VAL  47  -6.370   0.110  -5.568
  361   3HG1  VAL  47          3HG1      VAL  47  -6.281   0.690  -3.906
  362   1HG2  VAL  47          1HG2      VAL  47 -10.061   1.633  -4.649
  363   2HG2  VAL  47          2HG2      VAL  47  -8.568   2.572  -4.687
  364   3HG2  VAL  47          3HG2      VAL  47  -9.083   1.792  -3.190
  365    H    TYR  48           H        TYR  48  -7.330  -1.023  -7.760
  366    HA   TYR  48           HA       TYR  48  -7.396  -3.838  -7.004
  367   1HB   TYR  48          2HB       TYR  48  -6.309  -2.370  -9.409
  368   2HB   TYR  48          1HB       TYR  48  -5.932  -4.054  -9.112
  369    HD1  TYR  48           HD1      TYR  48  -9.285  -2.454  -8.575
  370    HD2  TYR  48           HD2      TYR  48  -6.902  -5.025 -10.997
  371    HE1  TYR  48           HE1      TYR  48 -11.285  -3.127  -9.830
  372    HE2  TYR  48           HE2      TYR  48  -8.903  -5.706 -12.245
  373    HH   TYR  48           HH       TYR  48 -11.750  -5.583 -11.374
  374    H    VAL  49           H        VAL  49  -5.841  -4.743  -5.794
  375    HA   VAL  49           HA       VAL  49  -3.464  -3.193  -5.132
  376    HB   VAL  49           HB       VAL  49  -4.271  -5.911  -4.068
  377   1HG1  VAL  49          1HG1      VAL  49  -2.370  -5.873  -2.924
  378   2HG1  VAL  49          2HG1      VAL  49  -2.796  -4.313  -2.220
  379   3HG1  VAL  49          3HG1      VAL  49  -1.917  -4.380  -3.747
  380   1HG2  VAL  49          1HG2      VAL  49  -4.690  -3.906  -2.127
  381   2HG2  VAL  49          2HG2      VAL  49  -5.895  -4.922  -2.920
  382   3HG2  VAL  49          3HG2      VAL  49  -5.469  -3.356  -3.611
  383    H    PHE  50           H        PHE  50  -1.460  -3.588  -5.894
  384    HA   PHE  50           HA       PHE  50  -1.110  -5.936  -7.632
  385   1HB   PHE  50          2HB       PHE  50   0.115  -3.184  -7.770
  386   2HB   PHE  50          1HB       PHE  50   0.774  -4.549  -8.661
  387    HD1  PHE  50           HD1      PHE  50  -2.310  -2.511  -8.236
  388    HD2  PHE  50           HD2      PHE  50  -0.097  -5.160 -10.728
  389    HE1  PHE  50           HE1      PHE  50  -3.883  -2.088 -10.079
  390    HE2  PHE  50           HE2      PHE  50  -1.668  -4.740 -12.573
  391    HZ   PHE  50           HZ       PHE  50  -3.563  -3.202 -12.250
  392    H    SER  51           H        SER  51   0.412  -4.010  -5.077
  393    HA   SER  51           HA       SER  51   2.174  -6.290  -4.521
  394   1HB   SER  51          2HB       SER  51   4.090  -4.748  -4.143
  395   2HB   SER  51          1HB       SER  51   3.560  -4.784  -5.822
  396    HG   SER  51           HG       SER  51   2.348  -2.853  -5.338
  397    H    LYS  52           H        LYS  52   2.821  -6.555  -2.413
  398    HA   LYS  52           HA       LYS  52   1.621  -4.744  -0.410
  399   1HB   LYS  52          2HB       LYS  52   2.072  -7.671   0.136
  400   2HB   LYS  52          1HB       LYS  52   1.033  -6.548   0.984
  401   1HG   LYS  52          1HG       LYS  52  -0.520  -6.528  -0.882
  402   2HG   LYS  52          2HG       LYS  52   0.540  -7.600  -1.792
  403   1HD   LYS  52          1HD       LYS  52   0.229  -9.328  -0.102
  404   2HD   LYS  52          2HD       LYS  52  -0.808  -8.240   0.824
  405   1HE   LYS  52          1HE       LYS  52  -1.324  -9.363  -1.925
  406   2HE   LYS  52          2HE       LYS  52  -2.189  -9.723  -0.435
  407   1HZ   LYS  52          1HZ       LYS  52  -2.481  -7.481  -2.220
  408   2HZ   LYS  52          2HZ       LYS  52  -2.473  -7.072  -0.580
  409   3HZ   LYS  52          3HZ       LYS  52  -3.606  -8.182  -1.168
  410    H    LEU  53           H        LEU  53   3.211  -3.703   0.649
  411    HA   LEU  53           HA       LEU  53   5.935  -4.538   0.484
  412   1HB   LEU  53          1HB       LEU  53   4.766  -2.451   2.322
  413   2HB   LEU  53          2HB       LEU  53   6.442  -2.596   1.821
  414    HG   LEU  53           HG       LEU  53   4.175  -1.972  -0.074
  415   1HD1  LEU  53          1HD2      LEU  53   4.472   0.262   0.239
  416   2HD1  LEU  53          2HD2      LEU  53   6.146   0.081   0.762
  417   3HD1  LEU  53          3HD2      LEU  53   4.828  -0.308   1.871
  418   1HD2  LEU  53          1HD1      LEU  53   5.727  -2.488  -1.598
  419   2HD2  LEU  53          2HD1      LEU  53   7.026  -2.496  -0.403
  420   3HD2  LEU  53          3HD1      LEU  53   6.506  -0.975  -1.127
  421    H    LYS  54           H        LYS  54   7.308  -5.377   2.020
  422    HA   LYS  54           HA       LYS  54   6.118  -6.188   4.585
  423   1HB   LYS  54          1HB       LYS  54   7.408  -8.332   4.447
  424   2HB   LYS  54          2HB       LYS  54   6.081  -8.201   3.305
  425   1HG   LYS  54          1HG       LYS  54   7.436  -8.475   1.570
  426   2HG   LYS  54          2HG       LYS  54   8.559  -7.253   2.158
  427   1HD   LYS  54          1HD       LYS  54   9.629  -9.442   1.915
  428   2HD   LYS  54          2HD       LYS  54   9.645  -8.891   3.588
  429   1HE   LYS  54          1HE       LYS  54   9.131 -11.231   3.561
  430   2HE   LYS  54          2HE       LYS  54   7.673 -10.354   4.018
  431   1HZ   LYS  54          1HZ       LYS  54   7.800 -10.701   1.207
  432   2HZ   LYS  54          2HZ       LYS  54   6.601 -11.196   2.292
  433   3HZ   LYS  54          3HZ       LYS  54   7.933 -12.194   1.991
  434    H    GLY  55           H        GLY  55   7.670  -6.637   6.286
  435   1HA   GLY  55          2HA       GLY  55   9.984  -6.550   7.058
  436   2HA   GLY  55          1HA       GLY  55  10.257  -5.268   5.887
  437    H    ARG  56           H        ARG  56   9.909  -3.191   6.461
  438    HA   ARG  56           HA       ARG  56   9.259  -2.679   9.253
  439   1HB   ARG  56          2HB       ARG  56  10.336  -0.892   7.064
  440   2HB   ARG  56          1HB       ARG  56   9.931  -0.311   8.671
  441   1HG   ARG  56          1HG       ARG  56  12.208  -0.634   8.814
  442   2HG   ARG  56          2HG       ARG  56  11.573  -2.133   9.491
  443   1HD   ARG  56          2HD       ARG  56  11.910  -3.250   7.339
  444   2HD   ARG  56          1HD       ARG  56  12.533  -1.750   6.654
  445    HE   ARG  56           HE       ARG  56  13.959  -3.629   8.250
  446   1HH1  ARG  56          1HH1      ARG  56  13.789  -0.205   7.485
  447   2HH1  ARG  56          2HH1      ARG  56  15.429   0.095   7.951
  448   1HH2  ARG  56          1HH2      ARG  56  16.104  -3.210   8.850
  449   2HH2  ARG  56          2HH2      ARG  56  16.738  -1.604   8.722
  450    H    GLY  57           H        GLY  57   7.756  -2.611   6.205
  451   1HA   GLY  57          1HA       GLY  57   5.477  -1.114   7.335
  452   2HA   GLY  57          2HA       GLY  57   6.016  -0.847   5.683
  453    H    ARG  58           H        ARG  58   5.244  -3.625   7.766
  454    HA   ARG  58           HA       ARG  58   4.336  -5.273   5.643
  455   1HB   ARG  58          2HB       ARG  58   5.225  -6.082   7.833
  456   2HB   ARG  58          1HB       ARG  58   3.752  -5.531   8.602
  457   1HG   ARG  58          1HG       ARG  58   3.545  -7.858   8.300
  458   2HG   ARG  58          2HG       ARG  58   2.518  -7.097   7.093
  459   1HD   ARG  58          2HD       ARG  58   4.240  -7.432   5.392
  460   2HD   ARG  58          1HD       ARG  58   5.284  -8.182   6.596
  461    HE   ARG  58           HE       ARG  58   4.135 -10.126   6.304
  462   1HH1  ARG  58          1HH1      ARG  58   2.107  -7.536   5.072
  463   2HH1  ARG  58          2HH1      ARG  58   0.881  -8.617   4.502
  464   1HH2  ARG  58          1HH2      ARG  58   2.516 -11.519   5.546
  465   2HH2  ARG  58          2HH2      ARG  58   1.112 -10.867   4.769
  466    H    LEU  59           H        LEU  59   2.810  -2.823   7.535
  467    HA   LEU  59           HA       LEU  59   0.116  -3.720   6.881
  468   1HB   LEU  59          2HB       LEU  59   1.077  -1.302   8.418
  469   2HB   LEU  59          1HB       LEU  59  -0.602  -1.755   8.209
  470    HG   LEU  59           HG       LEU  59   1.433  -3.492   9.615
  471   1HD1  LEU  59          1HD1      LEU  59   1.304  -2.064  11.315
  472   2HD1  LEU  59          2HD1      LEU  59  -0.389  -2.531  11.477
  473   3HD1  LEU  59          3HD1      LEU  59   0.048  -1.120  10.514
  474   1HD2  LEU  59          1HD2      LEU  59  -1.310  -3.871   8.777
  475   2HD2  LEU  59          2HD2      LEU  59  -1.137  -4.042  10.524
  476   3HD2  LEU  59          3HD2      LEU  59  -0.163  -5.035   9.439
  477    H    PHE  60           H        PHE  60   2.464  -2.104   5.257
  478    HA   PHE  60           HA       PHE  60   0.635  -0.212   3.971
  479   1HB   PHE  60          2HB       PHE  60   3.643  -0.434   3.958
  480   2HB   PHE  60          1HB       PHE  60   2.774   0.616   2.848
  481    HD1  PHE  60           HD1      PHE  60   2.200   2.767   3.479
  482    HD2  PHE  60           HD2      PHE  60   3.254  -0.057   6.487
  483    HE1  PHE  60           HE1      PHE  60   2.189   4.559   5.164
  484    HE2  PHE  60           HE2      PHE  60   3.239   1.732   8.175
  485    HZ   PHE  60           HZ       PHE  60   2.707   4.043   7.514
  486    H    TRP  61           H        TRP  61  -0.213  -0.596   2.081
  487    HA   TRP  61           HA       TRP  61   0.871  -2.762   0.407
  488   1HB   TRP  61          2HB       TRP  61  -1.934  -1.823   0.946
  489   2HB   TRP  61          1HB       TRP  61  -1.564  -2.644  -0.563
  490    HD1  TRP  61           HD1      TRP  61   0.452  -4.168   2.177
  491    HE1  TRP  61           HE1      TRP  61  -0.613  -6.375   2.938
  492    HE3  TRP  61           HE3      TRP  61  -4.103  -3.716  -0.113
  493    HZ2  TRP  61           HZ2      TRP  61  -3.058  -7.743   2.634
  494    HZ3  TRP  61           HZ3      TRP  61  -5.746  -5.520   0.179
  495    HH2  TRP  61           HH2      TRP  61  -5.238  -7.492   1.523
  496    H    GLY  62           H        GLY  62  -0.291  -2.309  -1.985
  497   1HA   GLY  62          2HA       GLY  62  -0.152   0.455  -2.789
  498   2HA   GLY  62          1HA       GLY  62   1.293  -0.481  -3.270
  499    H    GLY  63           H        GLY  63  -0.637   0.806  -4.991
  500   1HA   GLY  63          2HA       GLY  63  -0.913  -1.060  -7.008
  501   2HA   GLY  63          1HA       GLY  63  -2.420  -1.117  -6.106
  502    H    SER  64           H        SER  64  -3.617  -0.344  -7.855
  503    HA   SER  64           HA       SER  64  -3.475   2.555  -8.207
  504   1HB   SER  64          2HB       SER  64  -2.232   1.629 -10.117
  505   2HB   SER  64          1HB       SER  64  -3.612   0.609 -10.526
  506    HG   SER  64           HG       SER  64  -4.720   2.338 -11.200
  507    H    VAL  65           H        VAL  65  -5.442   3.536  -8.683
  508    HA   VAL  65           HA       VAL  65  -7.792   1.964  -7.991
  509    HB   VAL  65           HB       VAL  65  -7.501   4.941  -8.477
  510   1HG1  VAL  65          1HG2      VAL  65  -9.841   3.293  -7.550
  511   2HG1  VAL  65          2HG2      VAL  65  -9.774   4.454  -8.879
  512   3HG1  VAL  65          3HG2      VAL  65  -9.709   5.018  -7.206
  513   1HG2  VAL  65          1HG1      VAL  65  -7.400   3.261  -6.005
  514   2HG2  VAL  65          2HG1      VAL  65  -7.907   4.948  -5.934
  515   3HG2  VAL  65          3HG1      VAL  65  -6.303   4.535  -6.535
  516    H    GLN  66           H        GLN  66  -9.379   1.371  -9.369
  517    HA   GLN  66           HA       GLN  66  -9.032   2.054 -12.181
  518   1HB   GLN  66          1HB       GLN  66  -9.338  -0.314 -11.700
  519   2HB   GLN  66          2HB       GLN  66 -10.847   0.017 -10.861
  520   1HG   GLN  66          2HG       GLN  66 -11.834   0.812 -12.947
  521   2HG   GLN  66          1HG       GLN  66 -10.320   0.477 -13.792
  522   1HE2  GLN  66          1HE2      GLN  66 -13.323  -0.644 -13.166
  523   2HE2  GLN  66          2HE2      GLN  66 -13.081  -2.334 -13.452
  524    H    GLY  67           H        GLY  67 -12.145   1.473 -10.535
  525   1HA   GLY  67          1HA       GLY  67 -13.967   2.846 -10.201
  526   2HA   GLY  67          2HA       GLY  67 -12.957   4.222 -10.618
  527    H    ASP  68           H        ASP  68 -12.448   4.466 -12.934
  528    HA   ASP  68           HA       ASP  68 -14.613   3.554 -14.696
  529   1HB   ASP  68          2HB       ASP  68 -14.777   5.985 -13.859
  530   2HB   ASP  68          1HB       ASP  68 -13.370   6.298 -14.867
  531    H    TYR  69           H        TYR  69 -11.339   4.202 -14.099
  532    HA   TYR  69           HA       TYR  69  -9.385   3.696 -15.071
  533   1HB   TYR  69          2HB       TYR  69 -10.610   1.516 -15.526
  534   2HB   TYR  69          1HB       TYR  69 -10.878   2.110 -17.159
  535    HD1  TYR  69           HD1      TYR  69  -9.474   1.127 -18.702
  536    HD2  TYR  69           HD2      TYR  69  -7.946   1.988 -14.825
  537    HE1  TYR  69           HE1      TYR  69  -7.279   0.241 -19.373
  538    HE2  TYR  69           HE2      TYR  69  -5.753   1.117 -15.481
  539    HH   TYR  69           HH       TYR  69  -4.667   0.805 -18.319
  540    H    TYR  70           H        TYR  70 -11.266   3.692 -18.081
  541    HA   TYR  70           HA       TYR  70 -10.914   4.670 -20.069
  542   1HB   TYR  70          2HB       TYR  70 -11.169   7.133 -20.109
  543   2HB   TYR  70          1HB       TYR  70 -12.369   6.309 -19.132
  544    HD1  TYR  70           HD1      TYR  70  -9.265   8.363 -18.898
  545    HD2  TYR  70           HD2      TYR  70 -12.741   6.921 -16.909
  546    HE1  TYR  70           HE1      TYR  70  -8.830   9.900 -17.029
  547    HE2  TYR  70           HE2      TYR  70 -12.310   8.453 -15.037
  548    HH   TYR  70           HH       TYR  70  -9.485   9.877 -14.435
  549    H    GLY  71           H        GLY  71  -8.408   3.840 -18.806
  550   1HA   GLY  71          2HA       GLY  71  -6.283   3.770 -19.792
  551   2HA   GLY  71          1HA       GLY  71  -6.646   5.269 -20.624
  552    H    ASP  72           H        ASP  72  -6.965   7.166 -19.039
  553    HA   ASP  72           HA       ASP  72  -4.457   7.656 -17.855
  554   1HB   ASP  72          1HB       ASP  72  -6.057   9.343 -18.873
  555   2HB   ASP  72          2HB       ASP  72  -6.992   9.234 -17.387
  556    H    LEU  73           H        LEU  73  -4.217   8.523 -15.639
  557    HA   LEU  73           HA       LEU  73  -4.358   8.511 -13.370
  558   1HB   LEU  73          1HB       LEU  73  -6.852   8.306 -13.583
  559   2HB   LEU  73          2HB       LEU  73  -6.670   6.569 -13.571
  560    HG   LEU  73           HG       LEU  73  -7.430   7.663 -11.415
  561   1HD1  LEU  73          1HD2      LEU  73  -5.987   5.390 -11.855
  562   2HD1  LEU  73          2HD2      LEU  73  -6.755   5.844 -10.331
  563   3HD1  LEU  73          3HD2      LEU  73  -5.048   6.198 -10.596
  564   1HD2  LEU  73          1HD1      LEU  73  -4.588   8.258 -10.790
  565   2HD2  LEU  73          2HD1      LEU  73  -6.067   8.916 -10.092
  566   3HD2  LEU  73          3HD1      LEU  73  -5.531   9.451 -11.684
  567    H    ALA  74           H        ALA  74  -4.789   5.318 -14.898
  568    HA   ALA  74           HA       ALA  74  -3.080   4.102 -12.887
  569   1HB   ALA  74          1HB       ALA  74  -4.359   2.834 -15.303
  570   2HB   ALA  74          2HB       ALA  74  -5.084   2.920 -13.697
  571   3HB   ALA  74          3HB       ALA  74  -3.601   1.998 -13.948
  572    H    ALA  75           H        ALA  75  -1.776   6.072 -14.371
  573    HA   ALA  75           HA       ALA  75  -0.089   4.719 -16.324
  574   1HB   ALA  75          1HB       ALA  75   0.686   6.838 -16.949
  575   2HB   ALA  75          2HB       ALA  75   0.227   7.560 -15.406
  576   3HB   ALA  75          3HB       ALA  75  -1.018   7.100 -16.570
  577    H    ARG  76           H        ARG  76  -0.164   5.370 -13.013
  578    HA   ARG  76           HA       ARG  76   2.606   4.508 -12.717
  579   1HB   ARG  76          2HB       ARG  76   3.139   6.222 -11.081
  580   2HB   ARG  76          1HB       ARG  76   2.663   6.981 -12.589
  581   1HG   ARG  76          2HG       ARG  76   0.674   6.609 -10.382
  582   2HG   ARG  76          1HG       ARG  76   1.808   7.954 -10.358
  583   1HD   ARG  76          2HD       ARG  76  -0.162   7.347 -12.563
  584   2HD   ARG  76          1HD       ARG  76  -0.356   8.585 -11.327
  585    HE   ARG  76           HE       ARG  76   1.175   8.778 -13.722
  586   1HH1  ARG  76          1HH1      ARG  76   1.057   9.930 -10.406
  587   2HH1  ARG  76          2HH1      ARG  76   1.992  11.347 -10.747
  588   1HH2  ARG  76          1HH2      ARG  76   2.394  10.641 -14.143
  589   2HH2  ARG  76          2HH2      ARG  76   2.746  11.750 -12.859
  590    H    LEU  77           H        LEU  77   3.076   3.989 -10.358
  591    HA   LEU  77           HA       LEU  77   0.682   2.781  -9.139
  592   1HB   LEU  77          2HB       LEU  77   3.513   1.794  -9.335
  593   2HB   LEU  77          1HB       LEU  77   2.418   1.177  -8.112
  594    HG   LEU  77           HG       LEU  77   1.697   1.097 -11.033
  595   1HD1  LEU  77          1HD1      LEU  77   3.833  -0.040 -10.821
  596   2HD1  LEU  77          2HD1      LEU  77   2.534  -1.204 -11.079
  597   3HD1  LEU  77          3HD1      LEU  77   3.213  -0.984  -9.466
  598   1HD2  LEU  77          1HD2      LEU  77  -0.142   0.715  -9.553
  599   2HD2  LEU  77          2HD2      LEU  77   0.805  -0.411  -8.580
  600   3HD2  LEU  77          3HD2      LEU  77   0.340  -0.841 -10.228
  601    H    GLY  78           H        GLY  78   0.162   3.334  -7.139
  602   1HA   GLY  78          1HA       GLY  78   2.121   4.913  -5.585
  603   2HA   GLY  78          2HA       GLY  78   0.381   5.161  -5.521
  604    H    TYR  79           H        TYR  79   1.158   4.951  -3.141
  605    HA   TYR  79           HA       TYR  79   0.710   2.157  -2.350
  606   1HB   TYR  79          2HB       TYR  79   2.664   4.064  -1.035
  607   2HB   TYR  79          1HB       TYR  79   2.248   2.461  -0.430
  608    HD1  TYR  79           HD1      TYR  79   4.432   4.328  -2.542
  609    HD2  TYR  79           HD2      TYR  79   2.754   0.457  -1.990
  610    HE1  TYR  79           HE1      TYR  79   6.214   3.363  -3.932
  611    HE2  TYR  79           HE2      TYR  79   4.531  -0.517  -3.382
  612    HH   TYR  79           HH       TYR  79   6.510   1.277  -5.362
  613    H    PHE  80           H        PHE  80  -0.541   1.816  -0.547
  614    HA   PHE  80           HA       PHE  80  -1.620   4.087   0.919
  615   1HB   PHE  80          2HB       PHE  80  -3.978   3.304   0.476
  616   2HB   PHE  80          1HB       PHE  80  -3.164   3.996  -0.924
  617    HD1  PHE  80           HD1      PHE  80  -4.348   0.845   0.613
  618    HD2  PHE  80           HD2      PHE  80  -2.750   2.696  -2.874
  619    HE1  PHE  80           HE1      PHE  80  -4.863  -1.174  -0.690
  620    HE2  PHE  80           HE2      PHE  80  -3.266   0.678  -4.180
  621    HZ   PHE  80           HZ       PHE  80  -4.323  -1.259  -3.091
  622    HA   PRO  81           HA       PRO  81  -1.557   1.081   4.224
  623   1HB   PRO  81          2HB       PRO  81  -3.809   2.392   5.553
  624   2HB   PRO  81          1HB       PRO  81  -2.118   2.314   6.049
  625   1HG   PRO  81          2HG       PRO  81  -3.266   4.605   5.204
  626   2HG   PRO  81          1HG       PRO  81  -1.556   4.234   4.912
  627   1HD   PRO  81          2HD       PRO  81  -3.893   3.986   3.047
  628   2HD   PRO  81          1HD       PRO  81  -2.265   4.626   2.733
  629    H    SER  82           H        SER  82  -2.475  -0.875   4.587
  630    HA   SER  82           HA       SER  82  -4.689  -1.736   3.061
  631   1HB   SER  82          2HB       SER  82  -4.435  -3.866   4.256
  632   2HB   SER  82          1HB       SER  82  -2.864  -3.233   3.770
  633    HG   SER  82           HG       SER  82  -3.882  -3.664   6.278
  634    H    SER  83           H        SER  83  -4.504  -0.217   6.120
  635    HA   SER  83           HA       SER  83  -6.819  -1.239   7.360
  636   1HB   SER  83          2HB       SER  83  -6.641   0.740   8.830
  637   2HB   SER  83          1HB       SER  83  -5.096  -0.086   8.627
  638    HG   SER  83           HG       SER  83  -4.414   1.828   8.089
  639    H    ILE  84           H        ILE  84  -6.507   1.051   4.756
  640    HA   ILE  84           HA       ILE  84  -9.175   2.119   5.303
  641    HB   ILE  84           HB       ILE  84  -8.842   3.687   3.490
  642   1HG1  ILE  84          1HG1      ILE  84  -6.015   2.681   3.215
  643   2HG1  ILE  84          2HG1      ILE  84  -7.318   2.108   2.172
  644   1HG2  ILE  84          1HG2      ILE  84  -7.498   5.118   4.669
  645   2HG2  ILE  84          2HG2      ILE  84  -6.343   3.858   5.102
  646   3HG2  ILE  84          3HG2      ILE  84  -7.911   3.931   5.906
  647   1HD1  ILE  84          1HD1      ILE  84  -6.879   3.819   0.849
  648   2HD1  ILE  84          2HD1      ILE  84  -5.790   4.537   2.038
  649   3HD1  ILE  84          3HD1      ILE  84  -7.522   4.868   2.113
  650    H    VAL  85           H        VAL  85  -8.040  -0.567   3.746
  651    HA   VAL  85           HA       VAL  85 -10.275  -0.440   1.820
  652    HB   VAL  85           HB       VAL  85  -9.083  -1.997   0.350
  653   1HG1  VAL  85          1HG1      VAL  85  -7.199   0.270   0.875
  654   2HG1  VAL  85          2HG1      VAL  85  -8.832   0.563   0.279
  655   3HG1  VAL  85          3HG1      VAL  85  -7.712  -0.422  -0.664
  656   1HG2  VAL  85          1HG2      VAL  85  -7.557  -3.295   1.388
  657   2HG2  VAL  85          2HG2      VAL  85  -7.163  -2.057   2.584
  658   3HG2  VAL  85          3HG2      VAL  85  -6.455  -1.980   0.971
  659    H    ARG  86           H        ARG  86 -11.286  -2.445   1.254
  660    HA   ARG  86           HA       ARG  86 -11.210  -4.466   3.392
  661   1HB   ARG  86          1HB       ARG  86 -13.206  -3.009   3.597
  662   2HB   ARG  86          2HB       ARG  86 -13.671  -3.434   1.958
  663   1HG   ARG  86          1HG       ARG  86 -13.934  -5.770   2.639
  664   2HG   ARG  86          2HG       ARG  86 -13.471  -5.337   4.285
  665   1HD   ARG  86          1HD       ARG  86 -15.403  -3.846   4.441
  666   2HD   ARG  86          2HD       ARG  86 -15.863  -4.266   2.792
  667    HE   ARG  86           HE       ARG  86 -16.829  -6.162   3.598
  668   1HH1  ARG  86          1HH1      ARG  86 -14.582  -5.029   6.049
  669   2HH1  ARG  86          2HH1      ARG  86 -15.031  -6.253   7.186
  670   1HH2  ARG  86          1HH2      ARG  86 -17.401  -7.753   5.107
  671   2HH2  ARG  86          2HH2      ARG  86 -16.625  -7.792   6.655
  672    H    GLU  87           H        GLU  87 -10.369  -6.227   2.511
  673    HA   GLU  87           HA       GLU  87 -10.569  -6.796  -0.303
  674   1HB   GLU  87          1HB       GLU  87  -9.450  -8.536   1.905
  675   2HB   GLU  87          2HB       GLU  87  -9.189  -8.745   0.182
  676   1HG   GLU  87          1HG       GLU  87  -7.239  -7.752   0.815
  677   2HG   GLU  87          2HG       GLU  87  -8.191  -6.352   0.324
  678    H    ASP  88           H        ASP  88 -11.974  -8.104  -1.304
  679    HA   ASP  88           HA       ASP  88 -13.647  -9.857   0.353
  680   1HB   ASP  88          2HB       ASP  88 -15.579  -9.272  -1.163
  681   2HB   ASP  88          1HB       ASP  88 -15.047  -7.989  -0.083
  682    H    GLN  89           H        GLN  89 -12.126  -9.289  -2.778
  683    HA   GLN  89           HA       GLN  89 -12.431 -12.164  -3.325
  684   1HB   GLN  89          2HB       GLN  89 -14.145 -10.501  -4.503
  685   2HB   GLN  89          1HB       GLN  89 -12.805 -10.300  -5.621
  686   1HG   GLN  89          1HG       GLN  89 -13.934 -12.984  -4.888
  687   2HG   GLN  89          2HG       GLN  89 -14.537 -12.021  -6.234
  688   1HE2  GLN  89          1HE2      GLN  89 -12.549 -14.484  -5.450
  689   2HE2  GLN  89          2HE2      GLN  89 -11.437 -14.410  -6.773
  690    H    THR  90           H        THR  90 -10.728 -13.119  -4.342
  691    HA   THR  90           HA       THR  90  -8.359 -11.454  -4.856
  692    HB   THR  90           HB       THR  90  -8.565 -14.458  -4.535
  693    HG1  THR  90           HG1      THR  90  -8.486 -14.116  -2.485
  694   1HG2  THR  90          1HG2      THR  90  -6.012 -13.198  -3.928
  695   2HG2  THR  90          2HG2      THR  90  -6.465 -13.101  -5.630
  696   3HG2  THR  90          3HG2      THR  90  -6.367 -14.671  -4.832
  697    H    LEU  91           H        LEU  91  -7.750 -11.081  -6.906
  698    HA   LEU  91           HA       LEU  91  -9.184 -12.374  -9.070
  699   1HB   LEU  91          1HB       LEU  91  -7.017 -10.294  -9.301
  700   2HB   LEU  91          2HB       LEU  91  -8.246 -10.697 -10.485
  701    HG   LEU  91           HG       LEU  91  -8.805  -9.402  -7.810
  702   1HD1  LEU  91          1HD2      LEU  91  -7.666  -7.763  -8.988
  703   2HD1  LEU  91          2HD2      LEU  91  -9.356  -7.430  -9.361
  704   3HD1  LEU  91          3HD2      LEU  91  -8.342  -8.266 -10.537
  705   1HD2  LEU  91          1HD1      LEU  91 -10.988  -8.842  -9.015
  706   2HD2  LEU  91          2HD1      LEU  91 -10.770 -10.498  -8.437
  707   3HD2  LEU  91          3HD1      LEU  91 -10.543 -10.122 -10.147
  708    H    LYS  92           H        LYS  92  -6.075 -12.540  -7.585
  709    HA   LYS  92           HA       LYS  92  -5.344 -14.904  -8.945
  710   1HB   LYS  92          2HB       LYS  92  -4.871 -13.112 -10.720
  711   2HB   LYS  92          1HB       LYS  92  -3.568 -12.565  -9.677
  712   1HG   LYS  92          2HG       LYS  92  -2.278 -14.413 -10.067
  713   2HG   LYS  92          1HG       LYS  92  -3.664 -15.452 -10.382
  714   1HD   LYS  92          1HD       LYS  92  -2.850 -13.272 -12.295
  715   2HD   LYS  92          2HD       LYS  92  -2.136 -14.880 -12.353
  716   1HE   LYS  92          2HE       LYS  92  -3.886 -14.892 -13.932
  717   2HE   LYS  92          1HE       LYS  92  -4.480 -15.794 -12.541
  718   1HZ   LYS  92          1HZ       LYS  92  -6.056 -14.268 -12.120
  719   2HZ   LYS  92          2HZ       LYS  92  -5.851 -13.858 -13.747
  720   3HZ   LYS  92          3HZ       LYS  92  -5.078 -12.954 -12.545
  721    HA   PRO  93           HA       PRO  93  -3.239 -15.235  -4.989
  722   1HB   PRO  93          2HB       PRO  93  -1.563 -17.147  -6.556
  723   2HB   PRO  93          1HB       PRO  93  -2.298 -17.354  -4.974
  724   1HG   PRO  93          1HG       PRO  93  -3.424 -18.513  -7.019
  725   2HG   PRO  93          2HG       PRO  93  -4.455 -17.609  -5.886
  726   1HD   PRO  93          2HD       PRO  93  -3.392 -16.769  -8.557
  727   2HD   PRO  93          1HD       PRO  93  -5.035 -16.604  -7.915
  728    H    GLY  94           H        GLY  94  -1.668 -14.099  -4.077
  729   1HA   GLY  94          1HA       GLY  94   0.552 -13.118  -5.751
  730   2HA   GLY  94          2HA       GLY  94  -0.033 -12.343  -4.284
  731    H    LYS  95           H        LYS  95   1.785 -15.005  -5.591
  732    HA   LYS  95           HA       LYS  95   3.001 -15.447  -2.957
  733   1HB   LYS  95          2HB       LYS  95   3.366 -17.836  -3.824
  734   2HB   LYS  95          1HB       LYS  95   1.752 -17.377  -3.298
  735   1HG   LYS  95          2HG       LYS  95   1.117 -16.981  -5.627
  736   2HG   LYS  95          1HG       LYS  95   2.727 -17.489  -6.141
  737   1HD   LYS  95          2HD       LYS  95   2.321 -19.694  -5.113
  738   2HD   LYS  95          1HD       LYS  95   0.692 -19.169  -4.683
  739   1HE   LYS  95          2HE       LYS  95   0.633 -20.505  -6.706
  740   2HE   LYS  95          1HE       LYS  95   0.185 -18.839  -7.062
  741   1HZ   LYS  95          1HZ       LYS  95   2.990 -19.646  -7.374
  742   2HZ   LYS  95          2HZ       LYS  95   2.111 -18.470  -8.213
  743   3HZ   LYS  95          3HZ       LYS  95   1.876 -20.109  -8.561
  744    H    VAL  96           H        VAL  96   3.894 -13.686  -5.158
  745    HA   VAL  96           HA       VAL  96   6.507 -14.945  -5.717
  746    HB   VAL  96           HB       VAL  96   5.179 -12.768  -7.354
  747   1HG1  VAL  96          1HG1      VAL  96   7.508 -12.582  -7.651
  748   2HG1  VAL  96          2HG1      VAL  96   6.933 -13.499  -9.044
  749   3HG1  VAL  96          3HG1      VAL  96   7.723 -14.332  -7.705
  750   1HG2  VAL  96          1HG2      VAL  96   4.082 -14.301  -8.538
  751   2HG2  VAL  96          2HG2      VAL  96   4.515 -15.477  -7.297
  752   3HG2  VAL  96          3HG2      VAL  96   5.534 -15.284  -8.725
  753    H    ASP  97           H        ASP  97   8.351 -13.811  -5.182
  754    HA   ASP  97           HA       ASP  97   7.943 -11.273  -3.731
  755   1HB   ASP  97          2HB       ASP  97   8.756 -13.254  -2.404
  756   2HB   ASP  97          1HB       ASP  97  10.217 -13.241  -3.380
  757    H    VAL  98           H        VAL  98   8.712  -9.516  -4.664
  758    HA   VAL  98           HA       VAL  98  11.048  -9.720  -6.456
  759    HB   VAL  98           HB       VAL  98   8.788  -7.731  -6.791
  760   1HG1  VAL  98          1HG1      VAL  98  11.359  -7.647  -7.754
  761   2HG1  VAL  98          2HG1      VAL  98   9.976  -6.795  -8.438
  762   3HG1  VAL  98          3HG1      VAL  98  10.462  -8.358  -9.096
  763   1HG2  VAL  98          1HG2      VAL  98   8.752 -10.479  -7.443
  764   2HG2  VAL  98          2HG2      VAL  98   8.921  -9.587  -8.956
  765   3HG2  VAL  98          3HG2      VAL  98   7.572  -9.238  -7.873
  766    H    LYS  99           H        LYS  99  12.722  -8.421  -5.950
  767    HA   LYS  99           HA       LYS  99  12.575  -6.728  -3.610
  768   1HB   LYS  99          1HB       LYS  99  14.871  -7.118  -5.550
  769   2HB   LYS  99          2HB       LYS  99  14.968  -6.414  -3.945
  770   1HG   LYS  99          2HG       LYS  99  14.424  -8.517  -2.931
  771   2HG   LYS  99          1HG       LYS  99  14.190  -9.258  -4.512
  772   1HD   LYS  99          2HD       LYS  99  16.329  -9.952  -3.958
  773   2HD   LYS  99          1HD       LYS  99  16.648  -8.518  -4.932
  774   1HE   LYS  99          2HE       LYS  99  16.512  -8.508  -1.918
  775   2HE   LYS  99          1HE       LYS  99  18.006  -8.708  -2.828
  776   1HZ   LYS  99          1HZ       LYS  99  18.010  -6.469  -2.459
  777   2HZ   LYS  99          2HZ       LYS  99  16.326  -6.324  -2.516
  778   3HZ   LYS  99          3HZ       LYS  99  17.208  -6.507  -3.948
  779    H    THR 100           H        THR 100  13.297  -4.448  -3.622
  780    HA   THR 100           HA       THR 100  12.498  -3.082  -6.115
  781    HB   THR 100           HB       THR 100  11.864  -1.160  -4.752
  782    HG1  THR 100           HG1      THR 100  13.266  -2.512  -2.840
  783   1HG2  THR 100          1HG2      THR 100  10.667  -3.565  -3.418
  784   2HG2  THR 100          2HG2      THR 100  10.220  -3.037  -5.040
  785   3HG2  THR 100          3HG2      THR 100   9.948  -1.974  -3.658
  786    H    ASP 101           H        ASP 101  13.564  -1.041  -6.602
  787    HA   ASP 101           HA       ASP 101  16.330  -0.913  -5.604
  788   1HB   ASP 101          1HB       ASP 101  16.920  -0.048  -7.932
  789   2HB   ASP 101          2HB       ASP 101  16.555  -1.764  -7.797
  790    H    LYS 102           H        LYS 102  17.252   1.385  -6.626
  791    HA   LYS 102           HA       LYS 102  15.890   3.323  -5.048
  792   1HB   LYS 102          2HB       LYS 102  17.670   4.877  -5.778
  793   2HB   LYS 102          1HB       LYS 102  18.281   3.376  -5.109
  794   1HG   LYS 102          1HG       LYS 102  19.671   3.580  -6.887
  795   2HG   LYS 102          2HG       LYS 102  18.366   2.681  -7.658
  796   1HD   LYS 102          2HD       LYS 102  18.965   4.442  -9.138
  797   2HD   LYS 102          1HD       LYS 102  17.420   4.881  -8.417
  798   1HE   LYS 102          2HE       LYS 102  18.913   6.802  -8.534
  799   2HE   LYS 102          1HE       LYS 102  18.567   6.375  -6.859
  800   1HZ   LYS 102          1HZ       LYS 102  20.980   5.324  -8.187
  801   2HZ   LYS 102          2HZ       LYS 102  20.692   5.564  -6.538
  802   3HZ   LYS 102          3HZ       LYS 102  20.979   6.891  -7.547
  803    H    TRP 103           H        TRP 103  15.483   2.413  -8.310
  804    HA   TRP 103           HA       TRP 103  14.562   5.014  -9.195
  805   1HB   TRP 103          2HB       TRP 103  14.427   2.315 -10.557
  806   2HB   TRP 103          1HB       TRP 103  13.928   3.832 -11.293
  807    HD1  TRP 103           HD1      TRP 103  17.052   1.880 -10.289
  808    HE1  TRP 103           HE1      TRP 103  19.104   2.962 -11.403
  809    HE3  TRP 103           HE3      TRP 103  14.825   6.064 -12.211
  810    HZ2  TRP 103           HZ2      TRP 103  19.701   5.283 -12.890
  811    HZ3  TRP 103           HZ3      TRP 103  16.209   7.665 -13.466
  812    HH2  TRP 103           HH2      TRP 103  18.597   7.280 -13.798
  813    H    ASP 104           H        ASP 104  13.273   2.730  -7.230
  814    HA   ASP 104           HA       ASP 104  10.522   3.023  -8.170
  815   1HB   ASP 104          2HB       ASP 104  11.822   1.243  -6.116
  816   2HB   ASP 104          1HB       ASP 104  10.074   1.391  -6.238
  817    H    PHE 105           H        PHE 105  12.673   4.138  -5.669
  818    HA   PHE 105           HA       PHE 105  10.434   5.645  -4.490
  819   1HB   PHE 105          2HB       PHE 105  12.819   4.538  -2.985
  820   2HB   PHE 105          1HB       PHE 105  11.523   5.504  -2.290
  821    HD1  PHE 105           HD1      PHE 105  12.550   2.208  -3.381
  822    HD2  PHE 105           HD2      PHE 105   9.243   4.554  -2.079
  823    HE1  PHE 105           HE1      PHE 105  11.277   0.155  -2.925
  824    HE2  PHE 105           HE2      PHE 105   7.967   2.497  -1.619
  825    HZ   PHE 105           HZ       PHE 105   8.985   0.299  -2.042
  826    H    TYR 106           H        TYR 106  11.383   6.976  -6.392
  827    HA   TYR 106           HA       TYR 106  12.890   9.150  -5.209
  828   1HB   TYR 106          2HB       TYR 106  14.564   7.513  -6.271
  829   2HB   TYR 106          1HB       TYR 106  13.871   7.965  -7.818
  830    HD1  TYR 106           HD1      TYR 106  15.886   8.812  -8.744
  831    HD2  TYR 106           HD2      TYR 106  14.442  10.424  -5.063
  832    HE1  TYR 106           HE1      TYR 106  17.486  10.667  -8.923
  833    HE2  TYR 106           HE2      TYR 106  16.025  12.273  -5.251
  834    HH   TYR 106           HH       TYR 106  18.635  12.300  -6.996
  835    H    CYS 107           H        CYS 107  12.045  11.071  -5.919
  836    HA   CYS 107           HA       CYS 107  10.327  10.954  -8.313
  837   1HB   CYS 107          2HB       CYS 107   9.395  11.137  -5.807
  838   2HB   CYS 107          1HB       CYS 107   9.619  12.844  -6.158
  839    H    GLN 108           HN       GLN 108  13.082  11.935  -8.077
  840    HA   GLN 108           HA       GLN 108  12.612  14.739  -8.818
  841   1HB   GLN 108          1HB       GLN 108  15.056  13.458  -7.612
  842   2HB   GLN 108          2HB       GLN 108  15.069  15.059  -8.327
  843   1HG   GLN 108          2HG       GLN 108  13.287  15.717  -6.718
  844   2HG   GLN 108          1HG       GLN 108  13.483  14.145  -5.945
  845   1HE2  GLN 108          1HE2      GLN 108  14.271  17.275  -5.673
  846   2HE2  GLN 108          2HE2      GLN 108  15.764  17.148  -4.813
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1   7.113  15.376  -3.033
    2   2H    MET   1          2HT       MET   1   6.765  13.908  -3.797
    3   3H    MET   1          3HT       MET   1   5.970  15.320  -4.280
    4    HA   MET   1           HA       MET   1   7.924  14.416  -5.684
    5   1HB   MET   1          2HB       MET   1   6.624  16.576  -5.901
    6   2HB   MET   1          1HB       MET   1   7.841  17.333  -4.885
    7   1HG   MET   1          2HG       MET   1   8.316  17.834  -7.172
    8   2HG   MET   1          1HG       MET   1   9.556  16.740  -6.563
    9   1HE   MET   1          1HE       MET   1   8.966  15.955 -10.423
   10   2HE   MET   1          2HE       MET   1  10.281  16.028  -9.251
   11   3HE   MET   1          3HE       MET   1   9.212  17.415  -9.463
   12    H    GLY   2           H        GLY   2   9.978  13.779  -5.510
   13   1HA   GLY   2          2HA       GLY   2  12.287  14.408  -4.975
   14   2HA   GLY   2          1HA       GLY   2  11.680  15.060  -3.462
   15    HA   PRO   3           HA       PRO   3  13.012  10.618  -2.815
   16   1HB   PRO   3          2HB       PRO   3  15.194  11.241  -1.176
   17   2HB   PRO   3          1HB       PRO   3  15.259  10.707  -2.847
   18   1HG   PRO   3          1HG       PRO   3  15.929  13.249  -1.800
   19   2HG   PRO   3          2HG       PRO   3  15.955  12.735  -3.483
   20   1HD   PRO   3          1HD       PRO   3  14.002  14.379  -2.076
   21   2HD   PRO   3          2HD       PRO   3  14.259  14.178  -3.814
   22    H    MET   4           H        MET   4  12.032   9.578  -1.244
   23    HA   MET   4           HA       MET   4  11.863  10.731   1.443
   24   1HB   MET   4          2HB       MET   4   9.390   9.938   1.416
   25   2HB   MET   4          1HB       MET   4   9.795  11.451   0.624
   26   1HG   MET   4          2HG       MET   4   8.312  10.361  -0.821
   27   2HG   MET   4          1HG       MET   4   9.907  10.146  -1.537
   28   1HE   MET   4          1HE       MET   4   7.123   8.774   0.531
   29   2HE   MET   4          2HE       MET   4   8.214   7.760   1.475
   30   3HE   MET   4          3HE       MET   4   7.145   7.028   0.276
   31    HA   PRO   5           HA       PRO   5  12.616   6.740   3.311
   32   1HB   PRO   5          1HB       PRO   5  10.080   6.078   4.392
   33   2HB   PRO   5          2HB       PRO   5  11.433   6.842   5.224
   34   1HG   PRO   5          1HG       PRO   5   9.042   8.083   3.972
   35   2HG   PRO   5          2HG       PRO   5   9.946   8.575   5.418
   36   1HD   PRO   5          1HD       PRO   5  10.214   9.919   3.159
   37   2HD   PRO   5          2HD       PRO   5  11.637   9.581   4.161
   38    H    LYS   6           H        LYS   6  12.553   4.596   2.826
   39    HA   LYS   6           HA       LYS   6  11.289   3.843   0.379
   40   1HB   LYS   6          2HB       LYS   6  12.839   2.157   2.350
   41   2HB   LYS   6          1HB       LYS   6  12.429   1.699   0.704
   42   1HG   LYS   6          2HG       LYS   6  13.792   3.565  -0.137
   43   2HG   LYS   6          1HG       LYS   6  14.233   3.966   1.523
   44   1HD   LYS   6          1HD       LYS   6  14.718   1.205   0.478
   45   2HD   LYS   6          2HD       LYS   6  15.831   2.508   0.063
   46   1HE   LYS   6          1HE       LYS   6  16.711   1.406   1.982
   47   2HE   LYS   6          2HE       LYS   6  16.082   2.965   2.512
   48   1HZ   LYS   6          1HZ       LYS   6  15.557   0.816   3.844
   49   2HZ   LYS   6          2HZ       LYS   6  14.352   0.599   2.679
   50   3HZ   LYS   6          3HZ       LYS   6  14.360   1.994   3.636
   51    H    LEU   7           H        LEU   7  10.512   3.411   3.728
   52    HA   LEU   7           HA       LEU   7   8.651   2.650   4.793
   53   1HB   LEU   7          2HB       LEU   7   7.689   2.007   2.014
   54   2HB   LEU   7          1HB       LEU   7   6.844   1.389   3.410
   55    HG   LEU   7           HG       LEU   7   5.659   3.293   2.667
   56   1HD1  LEU   7          1HD1      LEU   7   5.805   3.169   5.069
   57   2HD1  LEU   7          2HD1      LEU   7   5.784   4.853   4.544
   58   3HD1  LEU   7          3HD1      LEU   7   7.300   4.107   5.054
   59   1HD2  LEU   7          1HD2      LEU   7   8.212   4.291   1.934
   60   2HD2  LEU   7          2HD2      LEU   7   7.391   5.481   2.945
   61   3HD2  LEU   7          3HD2      LEU   7   6.605   4.871   1.485
   62    H    ALA   8           H        ALA   8   9.745   0.423   2.246
   63    HA   ALA   8           HA       ALA   8  10.357  -1.590   4.250
   64   1HB   ALA   8          1HB       ALA   8   9.117  -3.342   3.091
   65   2HB   ALA   8          2HB       ALA   8   8.515  -2.161   1.927
   66   3HB   ALA   8          3HB       ALA   8   8.033  -2.056   3.620
   67    H    ASP   9           H        ASP   9  10.929  -3.712   2.532
   68    HA   ASP   9           HA       ASP   9  12.998  -2.574   0.767
   69   1HB   ASP   9          2HB       ASP   9  13.956  -3.586   2.808
   70   2HB   ASP   9          1HB       ASP   9  13.181  -5.114   2.405
   71    H    ARG  10           H        ARG  10  10.822  -5.332   1.318
   72    HA   ARG  10           HA       ARG  10  10.895  -5.862  -1.582
   73   1HB   ARG  10          2HB       ARG  10  10.710  -7.913   0.620
   74   2HB   ARG  10          1HB       ARG  10  10.572  -8.259  -1.095
   75   1HG   ARG  10          2HG       ARG  10  12.857  -7.517  -1.448
   76   2HG   ARG  10          1HG       ARG  10  13.000  -7.106   0.264
   77   1HD   ARG  10          1HD       ARG  10  12.546  -9.471   0.817
   78   2HD   ARG  10          2HD       ARG  10  12.549  -9.845  -0.904
   79    HE   ARG  10           HE       ARG  10  14.946  -8.548  -0.296
   80   1HH1  ARG  10          1HH1      ARG  10  13.359 -11.595   0.418
   81   2HH1  ARG  10          2HH1      ARG  10  14.848 -12.454   0.616
   82   1HH2  ARG  10          1HH2      ARG  10  16.887  -9.694  -0.031
   83   2HH2  ARG  10          2HH2      ARG  10  16.844 -11.380   0.364
   84    H    LYS  11           H        LYS  11   8.986  -6.967  -2.421
   85    HA   LYS  11           HA       LYS  11   6.519  -6.362  -0.939
   86   1HB   LYS  11          2HB       LYS  11   5.531  -5.687  -3.138
   87   2HB   LYS  11          1HB       LYS  11   6.815  -4.622  -2.577
   88   1HG   LYS  11          2HG       LYS  11   8.387  -5.930  -4.053
   89   2HG   LYS  11          1HG       LYS  11   6.958  -6.704  -4.740
   90   1HD   LYS  11          2HD       LYS  11   6.125  -4.615  -5.531
   91   2HD   LYS  11          1HD       LYS  11   7.383  -3.731  -4.664
   92   1HE   LYS  11          2HE       LYS  11   9.085  -4.811  -6.062
   93   2HE   LYS  11          1HE       LYS  11   7.814  -5.659  -6.943
   94   1HZ   LYS  11          1HZ       LYS  11   6.916  -3.349  -7.443
   95   2HZ   LYS  11          2HZ       LYS  11   8.323  -3.819  -8.255
   96   3HZ   LYS  11          3HZ       LYS  11   8.420  -2.766  -6.934
   97    H    LEU  12           H        LEU  12   4.589  -7.393  -2.140
   98    HA   LEU  12           HA       LEU  12   5.290 -10.128  -2.983
   99   1HB   LEU  12          2HB       LEU  12   2.899  -9.206  -1.377
  100   2HB   LEU  12          1HB       LEU  12   3.097 -10.824  -2.016
  101    HG   LEU  12           HG       LEU  12   4.958  -9.566   0.004
  102   1HD1  LEU  12          1HD1      LEU  12   3.759 -10.505   1.710
  103   2HD1  LEU  12          2HD1      LEU  12   3.059 -11.754   0.678
  104   3HD1  LEU  12          3HD1      LEU  12   2.448 -10.100   0.601
  105   1HD2  LEU  12          1HD2      LEU  12   4.738 -12.308  -1.203
  106   2HD2  LEU  12          2HD2      LEU  12   5.520 -12.037   0.354
  107   3HD2  LEU  12          3HD2      LEU  12   6.152 -11.259  -1.097
  108    H    CYS  13           H        CYS  13   4.873 -10.375  -5.064
  109    HA   CYS  13           HA       CYS  13   2.505  -9.057  -6.220
  110   1HB   CYS  13          2HB       CYS  13   5.120  -9.662  -7.620
  111   2HB   CYS  13          1HB       CYS  13   3.722  -8.864  -8.331
  112    H    ALA  14           H        ALA  14   1.855 -10.192  -8.354
  113    HA   ALA  14           HA       ALA  14   1.373 -12.962  -7.726
  114   1HB   ALA  14          1HB       ALA  14   0.056 -12.900  -9.880
  115   2HB   ALA  14          2HB       ALA  14   0.469 -11.188  -9.976
  116   3HB   ALA  14          3HB       ALA  14  -0.476 -11.792  -8.614
  117    H    ASP  15           H        ASP  15   3.142 -11.165 -10.211
  118    HA   ASP  15           HA       ASP  15   4.549 -13.655 -10.907
  119   1HB   ASP  15          2HB       ASP  15   3.476 -11.528 -12.747
  120   2HB   ASP  15          1HB       ASP  15   4.825 -12.547 -13.233
  121    H    GLN  16           H        GLN  16   6.638 -13.066 -12.192
  122    HA   GLN  16           HA       GLN  16   8.327 -11.625 -10.436
  123   1HB   GLN  16          2HB       GLN  16   8.981 -13.582 -11.868
  124   2HB   GLN  16          1HB       GLN  16   8.936 -12.512 -13.261
  125   1HG   GLN  16          2HG       GLN  16  10.706 -11.147 -12.270
  126   2HG   GLN  16          1HG       GLN  16  10.750 -12.223 -10.875
  127   1HE2  GLN  16          1HE2      GLN  16  12.254 -11.497 -13.671
  128   2HE2  GLN  16          2HE2      GLN  16  13.000 -13.016 -14.020
  129    H    GLU  17           H        GLU  17   6.419 -10.638 -13.119
  130    HA   GLU  17           HA       GLU  17   7.966  -8.228 -13.651
  131   1HB   GLU  17          2HB       GLU  17   5.268  -9.055 -14.745
  132   2HB   GLU  17          1HB       GLU  17   6.265  -7.736 -15.334
  133   1HG   GLU  17          1HG       GLU  17   7.988  -9.376 -15.981
  134   2HG   GLU  17          2HG       GLU  17   6.905 -10.667 -15.468
  135    H    CYS  18           H        CYS  18   5.383  -9.280 -11.671
  136    HA   CYS  18           HA       CYS  18   3.949  -8.294 -10.228
  137   1HB   CYS  18          1HB       CYS  18   6.163  -7.234  -9.483
  138   2HB   CYS  18          2HB       CYS  18   5.648  -5.799 -10.363
  139    H    SER  19           H        SER  19   3.649  -8.060 -13.098
  140    HA   SER  19           HA       SER  19   2.119  -5.591 -13.417
  141   1HB   SER  19          2HB       SER  19   3.813  -5.987 -15.110
  142   2HB   SER  19          1HB       SER  19   3.150  -7.581 -15.433
  143    HG   SER  19           HG       SER  19   2.437  -6.056 -16.971
  144    H    HIS  20           H        HIS  20   1.078  -7.509 -11.742
  145    HA   HIS  20           HA       HIS  20  -1.360  -8.301 -13.154
  146   1HB   HIS  20          2HB       HIS  20   0.588 -10.089 -11.801
  147   2HB   HIS  20          1HB       HIS  20  -1.117 -10.427 -11.541
  148    HD1  HIS  20           HD1      HIS  20  -2.521 -11.031 -13.682
  149    HD2  HIS  20           HD2      HIS  20   1.591 -10.888 -14.237
  150    HE1  HIS  20           HE1      HIS  20  -2.089 -12.315 -15.789
  151    HE2  HIS  20           HE2      HIS  20   0.412 -12.253 -16.093
  152    HA   PRO  21           HA       PRO  21  -3.024  -6.839  -9.251
  153   1HB   PRO  21          1HB       PRO  21  -5.670  -7.205  -9.831
  154   2HB   PRO  21          2HB       PRO  21  -4.700  -5.874 -10.465
  155   1HG   PRO  21          1HG       PRO  21  -5.813  -8.151 -11.875
  156   2HG   PRO  21          2HG       PRO  21  -5.050  -6.698 -12.536
  157   1HD   PRO  21          1HD       PRO  21  -3.918  -9.360 -12.137
  158   2HD   PRO  21          2HD       PRO  21  -3.277  -7.994 -13.072
  159    H    ILE  22           H        ILE  22  -2.812  -8.030  -7.453
  160    HA   ILE  22           HA       ILE  22  -3.354 -10.792  -7.303
  161    HB   ILE  22           HB       ILE  22  -3.034  -8.865  -4.991
  162   1HG1  ILE  22          2HG1      ILE  22  -0.929 -10.618  -6.286
  163   2HG1  ILE  22          1HG1      ILE  22  -1.145  -8.912  -6.676
  164   1HG2  ILE  22          1HG2      ILE  22  -2.134 -11.625  -4.640
  165   2HG2  ILE  22          2HG2      ILE  22  -3.872 -11.493  -4.918
  166   3HG2  ILE  22          3HG2      ILE  22  -3.121 -10.614  -3.584
  167   1HD1  ILE  22          1HD1      ILE  22  -0.817  -8.513  -4.159
  168   2HD1  ILE  22          2HD1      ILE  22   0.591  -8.914  -5.144
  169   3HD1  ILE  22          3HD1      ILE  22  -0.164 -10.152  -4.139
  170    H    SER  23           H        SER  23  -4.993  -8.183  -5.464
  171    HA   SER  23           HA       SER  23  -7.515  -9.634  -5.844
  172   1HB   SER  23          2HB       SER  23  -6.519  -8.639  -3.166
  173   2HB   SER  23          1HB       SER  23  -8.090  -9.376  -3.474
  174    HG   SER  23           HG       SER  23  -6.612 -10.904  -2.673
  175    H    MET  24           H        MET  24  -9.346  -8.428  -5.863
  176    HA   MET  24           HA       MET  24  -9.018  -5.553  -6.214
  177   1HB   MET  24          1HB       MET  24 -10.268  -6.993  -7.866
  178   2HB   MET  24          2HB       MET  24 -11.488  -7.245  -6.627
  179   1HG   MET  24          2HG       MET  24 -10.755  -4.458  -7.328
  180   2HG   MET  24          1HG       MET  24 -11.723  -5.383  -8.466
  181   1HE   MET  24          1HE       MET  24 -13.732  -6.591  -7.951
  182   2HE   MET  24          2HE       MET  24 -15.032  -5.900  -6.980
  183   3HE   MET  24          3HE       MET  24 -13.921  -7.068  -6.263
  184    H    ALA  25           H        ALA  25  -9.213  -4.328  -4.438
  185    HA   ALA  25           HA       ALA  25 -11.044  -5.241  -2.317
  186   1HB   ALA  25          1HB       ALA  25  -8.340  -4.619  -2.173
  187   2HB   ALA  25          2HB       ALA  25  -9.450  -4.849  -0.823
  188   3HB   ALA  25          3HB       ALA  25  -9.158  -3.230  -1.458
  189    H    VAL  26           H        VAL  26 -12.388  -3.819  -1.292
  190    HA   VAL  26           HA       VAL  26 -13.069  -1.409  -2.820
  191    HB   VAL  26           HB       VAL  26 -14.606  -2.698  -0.545
  192   1HG1  VAL  26          1HG2      VAL  26 -15.747  -0.773  -0.616
  193   2HG1  VAL  26          2HG2      VAL  26 -16.399  -1.363  -2.146
  194   3HG1  VAL  26          3HG2      VAL  26 -15.002  -0.286  -2.139
  195   1HG2  VAL  26          1HG1      VAL  26 -15.928  -3.046  -3.020
  196   2HG2  VAL  26          2HG1      VAL  26 -15.261  -4.283  -1.955
  197   3HG2  VAL  26          3HG1      VAL  26 -14.262  -3.587  -3.231
  198    H    ALA  27           H        ALA  27 -12.990   0.647  -1.971
  199    HA   ALA  27           HA       ALA  27 -11.394   1.001   0.435
  200   1HB   ALA  27          1HB       ALA  27 -10.894   2.277  -1.623
  201   2HB   ALA  27          2HB       ALA  27 -11.200   3.305  -0.223
  202   3HB   ALA  27          3HB       ALA  27 -12.446   3.097  -1.455
  203    H    LEU  28           H        LEU  28 -12.101   1.751   2.337
  204    HA   LEU  28           HA       LEU  28 -14.969   2.337   2.579
  205   1HB   LEU  28          2HB       LEU  28 -13.005   1.014   4.409
  206   2HB   LEU  28          1HB       LEU  28 -14.441   1.770   5.071
  207    HG   LEU  28           HG       LEU  28 -15.771   0.272   3.469
  208   1HD1  LEU  28          1HD1      LEU  28 -13.082  -1.077   3.326
  209   2HD1  LEU  28          2HD1      LEU  28 -14.054  -0.468   1.986
  210   3HD1  LEU  28          3HD1      LEU  28 -14.605  -1.863   2.911
  211   1HD2  LEU  28          1HD2      LEU  28 -15.393  -1.732   5.028
  212   2HD2  LEU  28          2HD2      LEU  28 -15.941  -0.213   5.736
  213   3HD2  LEU  28          3HD2      LEU  28 -14.246  -0.684   5.861
  214    H    GLN  29           H        GLN  29 -12.102   4.032   2.531
  215    HA   GLN  29           HA       GLN  29 -13.307   6.153   4.169
  216   1HB   GLN  29          2HB       GLN  29 -10.434   5.256   4.478
  217   2HB   GLN  29          1HB       GLN  29 -11.134   6.679   5.230
  218   1HG   GLN  29          2HG       GLN  29 -12.823   4.809   6.138
  219   2HG   GLN  29          1HG       GLN  29 -11.353   3.848   5.950
  220   1HE2  GLN  29          1HE2      GLN  29 -13.031   5.981   7.909
  221   2HE2  GLN  29          2HE2      GLN  29 -11.772   6.364   9.023
  222    H    ASP  30           H        ASP  30 -12.046   8.201   4.065
  223    HA   ASP  30           HA       ASP  30 -11.334   8.819   1.289
  224   1HB   ASP  30          1HB       ASP  30 -11.966  10.617   3.650
  225   2HB   ASP  30          2HB       ASP  30 -11.558  11.192   2.037
  226    H    TYR  31           H        TYR  31  -9.299   9.514   0.736
  227    HA   TYR  31           HA       TYR  31  -7.360  10.206   2.783
  228   1HB   TYR  31          2HB       TYR  31  -7.371   7.644   2.385
  229   2HB   TYR  31          1HB       TYR  31  -6.639   8.026   0.834
  230    HD1  TYR  31           HD1      TYR  31  -4.336   8.208   0.669
  231    HD2  TYR  31           HD2      TYR  31  -6.156   8.625   4.492
  232    HE1  TYR  31           HE1      TYR  31  -2.115   8.280   1.713
  233    HE2  TYR  31           HE2      TYR  31  -3.937   8.699   5.548
  234    HH   TYR  31           HH       TYR  31  -1.620   9.244   4.927
  235    H    MET  32           H        MET  32  -5.689  11.474   2.045
  236    HA   MET  32           HA       MET  32  -5.769  12.223  -0.808
  237   1HB   MET  32          2HB       MET  32  -4.934  13.902   1.569
  238   2HB   MET  32          1HB       MET  32  -4.883  14.423  -0.109
  239   1HG   MET  32          1HG       MET  32  -7.375  13.666   1.404
  240   2HG   MET  32          2HG       MET  32  -6.818  15.307   1.104
  241   1HE   MET  32          1HE       MET  32  -5.857  15.196  -2.048
  242   2HE   MET  32          2HE       MET  32  -6.692  16.450  -1.131
  243   3HE   MET  32          3HE       MET  32  -7.379  15.859  -2.644
  244    H    ALA  33           H        ALA  33  -3.846  12.338  -1.947
  245    HA   ALA  33           HA       ALA  33  -1.646  10.824  -0.839
  246   1HB   ALA  33          1HB       ALA  33  -2.418  11.795  -3.529
  247   2HB   ALA  33          2HB       ALA  33  -1.913  10.190  -3.002
  248   3HB   ALA  33          3HB       ALA  33  -0.712  11.460  -3.233
  249    HA   PRO  34           HA       PRO  34   0.448  14.695   0.288
  250   1HB   PRO  34          2HB       PRO  34   2.391  13.055   1.682
  251   2HB   PRO  34          1HB       PRO  34   1.206  14.173   2.355
  252   1HG   PRO  34          2HG       PRO  34   1.060  11.486   2.687
  253   2HG   PRO  34          1HG       PRO  34  -0.375  12.532   2.634
  254   1HD   PRO  34          2HD       PRO  34   0.818  10.836   0.461
  255   2HD   PRO  34          1HD       PRO  34  -0.883  11.030   0.932
  256    H    ASP  35           H        ASP  35   2.549  11.836  -0.241
  257    HA   ASP  35           HA       ASP  35   4.429  13.505  -1.700
  258   1HB   ASP  35          2HB       ASP  35   5.915  11.520  -1.619
  259   2HB   ASP  35          1HB       ASP  35   5.385  12.059  -0.031
  260    H    CYS  36           H        CYS  36   5.532  12.501  -3.589
  261    HA   CYS  36           HA       CYS  36   3.802  12.319  -5.766
  262   1HB   CYS  36          1HB       CYS  36   6.034  13.168  -5.989
  263   2HB   CYS  36          2HB       CYS  36   6.726  11.642  -5.458
  264    H    ARG  37           H        ARG  37   5.040   9.713  -3.750
  265    HA   ARG  37           HA       ARG  37   4.182   7.783  -5.784
  266   1HB   ARG  37          2HB       ARG  37   5.402   6.086  -4.418
  267   2HB   ARG  37          1HB       ARG  37   6.413   7.367  -5.070
  268   1HG   ARG  37          2HG       ARG  37   7.256   7.389  -2.995
  269   2HG   ARG  37          1HG       ARG  37   5.857   8.407  -2.657
  270   1HD   ARG  37          2HD       ARG  37   5.717   6.864  -0.957
  271   2HD   ARG  37          1HD       ARG  37   4.668   6.142  -2.174
  272    HE   ARG  37           HE       ARG  37   7.241   5.144  -2.564
  273   1HH1  ARG  37          1HH1      ARG  37   4.677   4.960  -0.184
  274   2HH1  ARG  37          2HH1      ARG  37   5.176   3.412   0.407
  275   1HH2  ARG  37          1HH2      ARG  37   7.876   3.107  -1.782
  276   2HH2  ARG  37          2HH2      ARG  37   6.987   2.363  -0.496
  277    H    PHE  38           H        PHE  38   2.427   9.306  -3.707
  278    HA   PHE  38           HA       PHE  38   1.136   6.890  -2.606
  279   1HB   PHE  38          2HB       PHE  38   1.608   9.533  -1.481
  280   2HB   PHE  38          1HB       PHE  38  -0.084   9.067  -1.376
  281    HD1  PHE  38           HD1      PHE  38   3.220   7.329  -0.868
  282    HD2  PHE  38           HD2      PHE  38  -0.672   8.179   0.633
  283    HE1  PHE  38           HE1      PHE  38   3.690   5.963   1.118
  284    HE2  PHE  38           HE2      PHE  38  -0.202   6.815   2.623
  285    HZ   PHE  38           HZ       PHE  38   1.980   5.704   2.869
  286    H    LEU  39           H        LEU  39  -1.272   6.950  -2.488
  287    HA   LEU  39           HA       LEU  39  -2.368   8.165  -4.946
  288   1HB   LEU  39          1HB       LEU  39  -2.991   5.593  -3.532
  289   2HB   LEU  39          2HB       LEU  39  -4.126   6.305  -4.660
  290    HG   LEU  39           HG       LEU  39  -1.295   5.650  -5.446
  291   1HD1  LEU  39          1HD1      LEU  39  -2.088   3.550  -4.813
  292   2HD1  LEU  39          2HD1      LEU  39  -2.441   3.631  -6.539
  293   3HD1  LEU  39          3HD1      LEU  39  -3.727   3.900  -5.362
  294   1HD2  LEU  39          1HD2      LEU  39  -2.570   7.216  -6.869
  295   2HD2  LEU  39          2HD2      LEU  39  -3.816   5.982  -7.063
  296   3HD2  LEU  39          3HD2      LEU  39  -2.191   5.702  -7.691
  297    H    THR  40           H        THR  40  -4.414   9.046  -4.982
  298    HA   THR  40           HA       THR  40  -5.476   9.892  -2.376
  299    HB   THR  40           HB       THR  40  -6.070  10.986  -5.146
  300    HG1  THR  40           HG1      THR  40  -4.780  12.736  -4.449
  301   1HG2  THR  40          1HG2      THR  40  -6.598  12.469  -2.610
  302   2HG2  THR  40          2HG2      THR  40  -7.785  11.317  -3.224
  303   3HG2  THR  40          3HG2      THR  40  -7.299  12.693  -4.214
  304    H    ILE  41           H        ILE  41  -7.006   8.601  -1.638
  305    HA   ILE  41           HA       ILE  41  -8.814   7.266  -3.536
  306    HB   ILE  41           HB       ILE  41  -7.783   6.469  -0.814
  307   1HG1  ILE  41          1HG1      ILE  41  -7.861   4.897  -3.391
  308   2HG1  ILE  41          2HG1      ILE  41  -6.541   6.000  -2.994
  309   1HG2  ILE  41          1HG2      ILE  41 -10.088   5.908  -0.644
  310   2HG2  ILE  41          2HG2      ILE  41  -9.226   4.420  -1.032
  311   3HG2  ILE  41          3HG2      ILE  41 -10.122   5.271  -2.289
  312   1HD1  ILE  41          1HD1      ILE  41  -6.750   4.417  -0.743
  313   2HD1  ILE  41          2HD1      ILE  41  -5.558   4.258  -2.038
  314   3HD1  ILE  41          3HD1      ILE  41  -7.039   3.300  -2.080
  315    H    HIS  42           H        HIS  42 -11.019   7.058  -3.039
  316    HA   HIS  42           HA       HIS  42 -12.077   9.027  -1.125
  317   1HB   HIS  42          2HB       HIS  42 -13.125   8.239  -3.854
  318   2HB   HIS  42          1HB       HIS  42 -14.084   9.134  -2.680
  319    HD1  HIS  42           HD1      HIS  42 -12.560  11.392  -1.779
  320    HD2  HIS  42           HD2      HIS  42 -12.002   9.925  -5.627
  321    HE1  HIS  42           HE1      HIS  42 -11.535  13.285  -3.079
  322    HE2  HIS  42           HE2      HIS  42 -11.258  12.392  -5.419
  323    H    ARG  43           H        ARG  43 -13.971   8.414  -0.007
  324    HA   ARG  43           HA       ARG  43 -14.047   5.732   0.820
  325   1HB   ARG  43          2HB       ARG  43 -14.735   7.759   2.151
  326   2HB   ARG  43          1HB       ARG  43 -16.212   7.805   1.207
  327   1HG   ARG  43          1HG       ARG  43 -16.792   5.580   2.047
  328   2HG   ARG  43          2HG       ARG  43 -15.316   5.571   3.004
  329   1HD   ARG  43          2HD       ARG  43 -16.110   7.625   4.149
  330   2HD   ARG  43          1HD       ARG  43 -17.630   7.481   3.268
  331    HE   ARG  43           HE       ARG  43 -16.832   6.013   5.575
  332   1HH1  ARG  43          1HH1      ARG  43 -18.821   5.803   2.689
  333   2HH1  ARG  43          2HH1      ARG  43 -19.850   4.579   3.351
  334   1HH2  ARG  43          1HH2      ARG  43 -18.199   4.411   6.422
  335   2HH2  ARG  43          2HH2      ARG  43 -19.500   3.792   5.462
  336    H    GLY  44           H        GLY  44 -14.538   4.176  -0.631
  337   1HA   GLY  44          2HA       GLY  44 -16.418   2.864  -1.451
  338   2HA   GLY  44          1HA       GLY  44 -17.165   4.367  -1.970
  339    H    GLN  45           H        GLN  45 -13.778   4.137  -2.566
  340    HA   GLN  45           HA       GLN  45 -14.300   3.947  -5.425
  341   1HB   GLN  45          2HB       GLN  45 -12.213   5.120  -3.741
  342   2HB   GLN  45          1HB       GLN  45 -11.581   4.300  -5.156
  343   1HG   GLN  45          2HG       GLN  45 -13.324   5.651  -6.469
  344   2HG   GLN  45          1HG       GLN  45 -13.455   6.633  -5.011
  345   1HE2  GLN  45          1HE2      GLN  45 -12.036   6.487  -7.924
  346   2HE2  GLN  45          2HE2      GLN  45 -10.612   7.417  -7.625
  347    H    VAL  46           H        VAL  46 -13.433   2.431  -6.793
  348    HA   VAL  46           HA       VAL  46 -12.779  -0.138  -5.611
  349    HB   VAL  46           HB       VAL  46 -12.821   0.545  -8.559
  350   1HG1  VAL  46          1HG1      VAL  46 -12.611  -1.927  -6.981
  351   2HG1  VAL  46          2HG1      VAL  46 -12.032  -1.558  -8.605
  352   3HG1  VAL  46          3HG1      VAL  46 -13.721  -1.993  -8.349
  353   1HG2  VAL  46          1HG2      VAL  46 -15.214  -0.781  -7.707
  354   2HG2  VAL  46          2HG2      VAL  46 -15.030   0.752  -8.561
  355   3HG2  VAL  46          3HG2      VAL  46 -15.006   0.716  -6.797
  356    H    VAL  47           H        VAL  47 -10.735  -0.613  -5.059
  357    HA   VAL  47           HA       VAL  47  -8.550   0.524  -6.687
  358    HB   VAL  47           HB       VAL  47  -8.273  -0.233  -3.781
  359   1HG1  VAL  47          1HG1      VAL  47  -6.274   1.154  -3.875
  360   2HG1  VAL  47          2HG1      VAL  47  -6.598   1.523  -5.569
  361   3HG1  VAL  47          3HG1      VAL  47  -6.209  -0.127  -5.085
  362   1HG2  VAL  47          1HG2      VAL  47  -8.195   2.451  -3.687
  363   2HG2  VAL  47          2HG2      VAL  47  -9.657   1.513  -3.384
  364   3HG2  VAL  47          3HG2      VAL  47  -9.384   2.231  -4.971
  365    H    TYR  48           H        TYR  48  -7.093  -0.831  -7.539
  366    HA   TYR  48           HA       TYR  48  -7.361  -3.687  -6.926
  367   1HB   TYR  48          2HB       TYR  48  -6.158  -2.281  -9.321
  368   2HB   TYR  48          1HB       TYR  48  -6.054  -4.013  -9.061
  369    HD1  TYR  48           HD1      TYR  48  -8.617  -1.287  -9.353
  370    HD2  TYR  48           HD2      TYR  48  -7.666  -5.388  -9.976
  371    HE1  TYR  48           HE1      TYR  48 -10.764  -1.607 -10.504
  372    HE2  TYR  48           HE2      TYR  48  -9.811  -5.714 -11.129
  373    HH   TYR  48           HH       TYR  48 -12.330  -3.515 -10.987
  374    H    VAL  49           H        VAL  49  -5.844  -4.686  -5.780
  375    HA   VAL  49           HA       VAL  49  -3.413  -3.268  -5.053
  376    HB   VAL  49           HB       VAL  49  -4.314  -6.015  -4.151
  377   1HG1  VAL  49          1HG1      VAL  49  -2.826  -5.636  -2.251
  378   2HG1  VAL  49          2HG1      VAL  49  -2.350  -4.079  -2.925
  379   3HG1  VAL  49          3HG1      VAL  49  -1.941  -5.569  -3.774
  380   1HG2  VAL  49          1HG2      VAL  49  -5.319  -3.382  -3.461
  381   2HG2  VAL  49          2HG2      VAL  49  -4.718  -4.256  -2.053
  382   3HG2  VAL  49          3HG2      VAL  49  -5.964  -4.976  -3.071
  383    H    PHE  50           H        PHE  50  -1.442  -3.648  -5.865
  384    HA   PHE  50           HA       PHE  50  -1.107  -5.928  -7.696
  385   1HB   PHE  50          2HB       PHE  50   0.007  -3.140  -7.747
  386   2HB   PHE  50          1HB       PHE  50   0.855  -4.444  -8.568
  387    HD1  PHE  50           HD1      PHE  50  -2.593  -2.986  -8.354
  388    HD2  PHE  50           HD2      PHE  50   0.395  -4.820 -10.770
  389    HE1  PHE  50           HE1      PHE  50  -4.025  -2.705 -10.333
  390    HE2  PHE  50           HE2      PHE  50  -1.034  -4.541 -12.752
  391    HZ   PHE  50           HZ       PHE  50  -3.246  -3.482 -12.535
  392    H    SER  51           H        SER  51   0.505  -4.034  -5.157
  393    HA   SER  51           HA       SER  51   2.204  -6.364  -4.603
  394   1HB   SER  51          2HB       SER  51   4.146  -4.852  -4.218
  395   2HB   SER  51          1HB       SER  51   3.618  -4.885  -5.897
  396    HG   SER  51           HG       SER  51   4.038  -2.756  -4.755
  397    H    LYS  52           H        LYS  52   2.760  -6.707  -2.490
  398    HA   LYS  52           HA       LYS  52   1.633  -4.842  -0.489
  399   1HB   LYS  52          2HB       LYS  52   1.845  -7.830  -0.103
  400   2HB   LYS  52          1HB       LYS  52   0.999  -6.678   0.907
  401   1HG   LYS  52          1HG       LYS  52  -0.653  -6.313  -0.816
  402   2HG   LYS  52          2HG       LYS  52   0.219  -7.386  -1.912
  403   1HD   LYS  52          1HD       LYS  52  -0.145  -9.252  -0.363
  404   2HD   LYS  52          2HD       LYS  52  -1.035  -8.175   0.717
  405   1HE   LYS  52          2HE       LYS  52  -2.688  -7.776  -1.041
  406   2HE   LYS  52          1HE       LYS  52  -1.798  -8.853  -2.122
  407   1HZ   LYS  52          1HZ       LYS  52  -3.453 -10.196  -1.262
  408   2HZ   LYS  52          2HZ       LYS  52  -3.352  -9.531   0.290
  409   3HZ   LYS  52          3HZ       LYS  52  -2.137 -10.569  -0.265
  410    H    LEU  53           H        LEU  53   3.279  -3.875   0.569
  411    HA   LEU  53           HA       LEU  53   5.924  -4.957   0.556
  412   1HB   LEU  53          1HB       LEU  53   4.835  -2.661   2.185
  413   2HB   LEU  53          2HB       LEU  53   6.530  -3.015   1.902
  414    HG   LEU  53           HG       LEU  53   4.548  -2.195  -0.232
  415   1HD1  LEU  53          1HD2      LEU  53   5.026  -0.067   0.195
  416   2HD1  LEU  53          2HD2      LEU  53   6.759  -0.399   0.273
  417   3HD1  LEU  53          3HD2      LEU  53   5.751  -0.619   1.706
  418   1HD2  LEU  53          1HD1      LEU  53   6.039  -3.015  -1.667
  419   2HD2  LEU  53          2HD1      LEU  53   7.195  -3.348  -0.375
  420   3HD2  LEU  53          3HD1      LEU  53   7.143  -1.751  -1.122
  421    H    LYS  54           H        LYS  54   7.200  -5.678   2.267
  422    HA   LYS  54           HA       LYS  54   5.737  -6.575   4.675
  423   1HB   LYS  54          2HB       LYS  54   7.880  -8.041   3.128
  424   2HB   LYS  54          1HB       LYS  54   7.300  -8.538   4.707
  425   1HG   LYS  54          2HG       LYS  54   5.047  -8.820   3.772
  426   2HG   LYS  54          1HG       LYS  54   5.679  -8.395   2.181
  427   1HD   LYS  54          1HD       LYS  54   5.580 -10.776   2.311
  428   2HD   LYS  54          2HD       LYS  54   7.276 -10.310   2.389
  429   1HE   LYS  54          1HE       LYS  54   7.232 -10.577   4.824
  430   2HE   LYS  54          2HE       LYS  54   5.534 -11.046   4.741
  431   1HZ   LYS  54          1HZ       LYS  54   6.297 -12.899   3.241
  432   2HZ   LYS  54          2HZ       LYS  54   6.758 -13.031   4.863
  433   3HZ   LYS  54          3HZ       LYS  54   7.880 -12.523   3.704
  434    H    GLY  55           H        GLY  55   7.264  -7.131   6.515
  435   1HA   GLY  55          2HA       GLY  55   9.195  -6.722   7.785
  436   2HA   GLY  55          1HA       GLY  55   9.765  -5.632   6.532
  437    H    ARG  56           H        ARG  56   9.819  -3.574   7.079
  438    HA   ARG  56           HA       ARG  56   8.652  -2.607   9.494
  439   1HB   ARG  56          2HB       ARG  56   9.975  -1.127   7.217
  440   2HB   ARG  56          1HB       ARG  56   9.532  -0.405   8.758
  441   1HG   ARG  56          1HG       ARG  56  11.041  -1.997   9.895
  442   2HG   ARG  56          2HG       ARG  56  11.536  -2.609   8.316
  443   1HD   ARG  56          2HD       ARG  56  11.826   0.240   9.250
  444   2HD   ARG  56          1HD       ARG  56  13.117  -0.959   9.238
  445    HE   ARG  56           HE       ARG  56  12.184   0.579   7.028
  446   1HH1  ARG  56          1HH1      ARG  56  13.598  -2.534   7.837
  447   2HH1  ARG  56          2HH1      ARG  56  14.246  -2.777   6.251
  448   1HH2  ARG  56          1HH2      ARG  56  13.045   0.237   4.960
  449   2HH2  ARG  56          2HH2      ARG  56  13.935  -1.210   4.625
  450    H    GLY  57           H        GLY  57   7.766  -2.534   6.122
  451   1HA   GLY  57          1HA       GLY  57   5.389  -0.909   6.768
  452   2HA   GLY  57          2HA       GLY  57   6.115  -1.022   5.171
  453    H    ARG  58           H        ARG  58   5.163  -3.447   7.584
  454    HA   ARG  58           HA       ARG  58   4.183  -5.266   5.646
  455   1HB   ARG  58          1HB       ARG  58   3.346  -6.554   7.594
  456   2HB   ARG  58          2HB       ARG  58   5.031  -6.097   7.733
  457   1HG   ARG  58          1HG       ARG  58   4.416  -4.261   9.221
  458   2HG   ARG  58          2HG       ARG  58   2.736  -4.770   9.107
  459   1HD   ARG  58          2HD       ARG  58   4.980  -6.491  10.128
  460   2HD   ARG  58          1HD       ARG  58   3.868  -5.585  11.153
  461    HE   ARG  58           HE       ARG  58   2.371  -7.210   9.433
  462   1HH1  ARG  58          1HH1      ARG  58   4.556  -7.555  12.155
  463   2HH1  ARG  58          2HH1      ARG  58   3.837  -9.036  12.691
  464   1HH2  ARG  58          1HH2      ARG  58   1.442  -9.153  10.152
  465   2HH2  ARG  58          2HH2      ARG  58   2.076  -9.940  11.557
  466    H    LEU  59           H        LEU  59   2.736  -2.552   7.153
  467    HA   LEU  59           HA       LEU  59   0.050  -3.510   6.457
  468   1HB   LEU  59          1HB       LEU  59  -0.807  -1.699   7.871
  469   2HB   LEU  59          2HB       LEU  59   0.242  -2.787   8.754
  470    HG   LEU  59           HG       LEU  59   1.979  -0.799   7.963
  471   1HD1  LEU  59          1HD1      LEU  59  -0.663   0.461   8.689
  472   2HD1  LEU  59          2HD1      LEU  59   0.181   0.605   7.147
  473   3HD1  LEU  59          3HD1      LEU  59   0.883   1.306   8.605
  474   1HD2  LEU  59          1HD2      LEU  59   2.373  -0.732  10.159
  475   2HD2  LEU  59          2HD2      LEU  59   1.135  -1.980  10.289
  476   3HD2  LEU  59          3HD2      LEU  59   0.709  -0.287  10.535
  477    H    PHE  60           H        PHE  60   2.420  -2.043   4.915
  478    HA   PHE  60           HA       PHE  60   0.743   0.006   3.644
  479   1HB   PHE  60          2HB       PHE  60   3.733  -0.369   3.711
  480   2HB   PHE  60          1HB       PHE  60   2.956   0.704   2.556
  481    HD1  PHE  60           HD1      PHE  60   2.141   2.835   3.205
  482    HD2  PHE  60           HD2      PHE  60   3.618   0.128   6.141
  483    HE1  PHE  60           HE1      PHE  60   2.178   4.654   4.858
  484    HE2  PHE  60           HE2      PHE  60   3.649   1.943   7.801
  485    HZ   PHE  60           HZ       PHE  60   2.930   4.209   7.160
  486    H    TRP  61           H        TRP  61  -0.231  -0.515   1.851
  487    HA   TRP  61           HA       TRP  61   0.899  -2.626   0.141
  488   1HB   TRP  61          1HB       TRP  61  -1.933  -1.740   0.667
  489   2HB   TRP  61          2HB       TRP  61  -1.529  -2.649  -0.782
  490    HD1  TRP  61           HD1      TRP  61   0.609  -4.078   1.826
  491    HE1  TRP  61           HE1      TRP  61  -0.434  -6.190   2.842
  492    HE3  TRP  61           HE3      TRP  61  -4.176  -3.568   0.065
  493    HZ2  TRP  61           HZ2      TRP  61  -2.940  -7.468   2.914
  494    HZ3  TRP  61           HZ3      TRP  61  -5.831  -5.286   0.664
  495    HH2  TRP  61           HH2      TRP  61  -5.224  -7.194   2.057
  496    H    GLY  62           H        GLY  62  -0.090  -2.273  -2.242
  497   1HA   GLY  62          1HA       GLY  62  -0.134   0.505  -3.065
  498   2HA   GLY  62          2HA       GLY  62   1.354  -0.372  -3.524
  499    H    GLY  63           H        GLY  63  -0.540   0.788  -5.317
  500   1HA   GLY  63          2HA       GLY  63  -0.755  -1.148  -7.269
  501   2HA   GLY  63          1HA       GLY  63  -2.277  -1.200  -6.392
  502    H    SER  64           H        SER  64  -3.520  -0.467  -8.092
  503    HA   SER  64           HA       SER  64  -3.259   2.401  -8.657
  504   1HB   SER  64          1HB       SER  64  -3.780   2.039 -11.032
  505   2HB   SER  64          2HB       SER  64  -2.291   1.204 -10.584
  506    HG   SER  64           HG       SER  64  -4.070  -0.575 -10.167
  507    H    VAL  65           H        VAL  65  -5.111   3.466  -8.391
  508    HA   VAL  65           HA       VAL  65  -7.510   1.947  -7.793
  509    HB   VAL  65           HB       VAL  65  -7.015   3.680  -6.214
  510   1HG1  VAL  65          1HG1      VAL  65  -5.917   5.505  -6.833
  511   2HG1  VAL  65          2HG1      VAL  65  -7.415   6.117  -7.535
  512   3HG1  VAL  65          3HG1      VAL  65  -6.282   5.206  -8.533
  513   1HG2  VAL  65          1HG2      VAL  65  -9.412   3.304  -6.809
  514   2HG2  VAL  65          2HG2      VAL  65  -9.318   4.703  -7.881
  515   3HG2  VAL  65          3HG2      VAL  65  -9.077   4.903  -6.144
  516    H    GLN  66           H        GLN  66  -9.153   1.642  -9.095
  517    HA   GLN  66           HA       GLN  66  -9.163   2.828 -11.737
  518   1HB   GLN  66          1HB       GLN  66  -9.713   0.452 -11.499
  519   2HB   GLN  66          2HB       GLN  66 -11.041   0.845 -10.418
  520   1HG   GLN  66          2HG       GLN  66 -12.236   1.932 -12.208
  521   2HG   GLN  66          1HG       GLN  66 -10.879   1.676 -13.308
  522   1HE2  GLN  66          1HE2      GLN  66 -13.834   0.568 -12.451
  523   2HE2  GLN  66          2HE2      GLN  66 -13.716  -1.064 -13.010
  524    H    GLY  67           H        GLY  67 -11.728   2.423  -9.291
  525   1HA   GLY  67          2HA       GLY  67 -13.223   3.919  -8.395
  526   2HA   GLY  67          1HA       GLY  67 -12.316   5.215  -9.155
  527    H    ASP  68           H        ASP  68 -12.642   5.484 -11.498
  528    HA   ASP  68           HA       ASP  68 -15.303   4.675 -12.413
  529   1HB   ASP  68          2HB       ASP  68 -15.282   6.988 -11.359
  530   2HB   ASP  68          1HB       ASP  68 -14.247   7.487 -12.689
  531    H    TYR  69           H        TYR  69 -12.108   5.814 -13.099
  532    HA   TYR  69           HA       TYR  69 -10.730   5.782 -14.897
  533   1HB   TYR  69          2HB       TYR  69 -11.158   3.333 -14.635
  534   2HB   TYR  69          1HB       TYR  69 -12.448   3.462 -15.822
  535    HD1  TYR  69           HD1      TYR  69  -8.831   4.463 -15.564
  536    HD2  TYR  69           HD2      TYR  69 -11.914   2.728 -17.934
  537    HE1  TYR  69           HE1      TYR  69  -7.211   4.059 -17.369
  538    HE2  TYR  69           HE2      TYR  69 -10.300   2.319 -19.741
  539    HH   TYR  69           HH       TYR  69  -7.672   3.725 -20.217
  540    H    TYR  70           H        TYR  70 -11.323   7.793 -15.701
  541    HA   TYR  70           HA       TYR  70 -13.105   7.736 -18.042
  542   1HB   TYR  70          1HB       TYR  70 -13.394  10.230 -17.602
  543   2HB   TYR  70          2HB       TYR  70 -14.163   9.137 -16.461
  544    HD1  TYR  70           HD1      TYR  70 -13.778   9.355 -14.176
  545    HD2  TYR  70           HD2      TYR  70 -11.114  11.260 -16.898
  546    HE1  TYR  70           HE1      TYR  70 -12.701  10.522 -12.300
  547    HE2  TYR  70           HE2      TYR  70 -10.028  12.425 -15.025
  548    HH   TYR  70           HH       TYR  70 -10.355  11.551 -11.874
  549    H    GLY  71           H        GLY  71  -9.933   8.019 -17.086
  550   1HA   GLY  71          1HA       GLY  71  -9.152   8.968 -19.727
  551   2HA   GLY  71          2HA       GLY  71  -8.604   9.934 -18.366
  552    H    ASP  72           H        ASP  72  -6.724   9.416 -17.468
  553    HA   ASP  72           HA       ASP  72  -5.748   6.668 -17.581
  554   1HB   ASP  72          2HB       ASP  72  -4.850   7.767 -19.604
  555   2HB   ASP  72          1HB       ASP  72  -4.132   9.019 -18.596
  556    H    LEU  73           H        LEU  73  -5.426   6.215 -15.507
  557    HA   LEU  73           HA       LEU  73  -3.726   7.979 -13.925
  558   1HB   LEU  73          1HB       LEU  73  -5.159   8.063 -12.031
  559   2HB   LEU  73          2HB       LEU  73  -6.097   8.581 -13.413
  560    HG   LEU  73           HG       LEU  73  -6.271   5.786 -12.278
  561   1HD1  LEU  73          1HD1      LEU  73  -7.664   8.309 -11.496
  562   2HD1  LEU  73          2HD1      LEU  73  -7.023   7.017 -10.479
  563   3HD1  LEU  73          3HD1      LEU  73  -8.509   6.765 -11.392
  564   1HD2  LEU  73          1HD2      LEU  73  -7.508   5.415 -14.087
  565   2HD2  LEU  73          2HD2      LEU  73  -7.415   7.109 -14.567
  566   3HD2  LEU  73          3HD2      LEU  73  -8.677   6.575 -13.456
  567    H    ALA  74           H        ALA  74  -4.786   4.878 -14.820
  568    HA   ALA  74           HA       ALA  74  -3.596   3.502 -12.561
  569   1HB   ALA  74          1HB       ALA  74  -4.726   2.354 -15.109
  570   2HB   ALA  74          2HB       ALA  74  -5.636   2.628 -13.622
  571   3HB   ALA  74          3HB       ALA  74  -4.312   1.462 -13.643
  572    H    ALA  75           H        ALA  75  -2.356   4.981 -15.234
  573    HA   ALA  75           HA       ALA  75  -0.468   3.086 -16.186
  574   1HB   ALA  75          1HB       ALA  75   0.113   4.691 -17.645
  575   2HB   ALA  75          2HB       ALA  75   0.304   5.907 -16.383
  576   3HB   ALA  75          3HB       ALA  75  -1.299   5.542 -17.020
  577    H    ARG  76           H        ARG  76  -0.448   5.489 -13.632
  578    HA   ARG  76           HA       ARG  76   2.313   4.805 -12.934
  579   1HB   ARG  76          1HB       ARG  76   2.170   6.744 -11.380
  580   2HB   ARG  76          2HB       ARG  76   1.908   7.181 -13.061
  581   1HG   ARG  76          2HG       ARG  76  -0.504   7.253 -12.669
  582   2HG   ARG  76          1HG       ARG  76  -0.242   6.814 -10.983
  583   1HD   ARG  76          2HD       ARG  76  -0.565   9.170 -11.061
  584   2HD   ARG  76          1HD       ARG  76   1.144   8.887 -10.747
  585    HE   ARG  76           HE       ARG  76  -0.035   9.966 -13.192
  586   1HH1  ARG  76          1HH1      ARG  76   2.869   9.012 -11.467
  587   2HH1  ARG  76          2HH1      ARG  76   3.929   9.793 -12.590
  588   1HH2  ARG  76          1HH2      ARG  76   1.372  10.983 -14.649
  589   2HH2  ARG  76          2HH2      ARG  76   3.083  10.909 -14.390
  590    H    LEU  77           H        LEU  77   2.869   4.029 -10.892
  591    HA   LEU  77           HA       LEU  77   0.646   2.775  -9.442
  592   1HB   LEU  77          2HB       LEU  77   3.509   1.997  -9.848
  593   2HB   LEU  77          1HB       LEU  77   2.610   1.365  -8.482
  594    HG   LEU  77           HG       LEU  77   1.614   1.078 -11.314
  595   1HD1  LEU  77          1HD1      LEU  77   3.952  -0.074 -10.317
  596   2HD1  LEU  77          2HD1      LEU  77   3.047  -0.556 -11.753
  597   3HD1  LEU  77          3HD1      LEU  77   2.721  -1.333 -10.203
  598   1HD2  LEU  77          1HD2      LEU  77   0.787   0.180  -8.640
  599   2HD2  LEU  77          2HD2      LEU  77   0.748  -1.062  -9.895
  600   3HD2  LEU  77          3HD2      LEU  77  -0.171   0.430 -10.104
  601    H    GLY  78           H        GLY  78   0.168   3.338  -7.454
  602   1HA   GLY  78          1HA       GLY  78   2.112   4.988  -5.955
  603   2HA   GLY  78          2HA       GLY  78   0.378   5.271  -5.917
  604    H    TYR  79           H        TYR  79   1.080   5.116  -3.526
  605    HA   TYR  79           HA       TYR  79   0.647   2.341  -2.653
  606   1HB   TYR  79          2HB       TYR  79   2.627   4.334  -1.531
  607   2HB   TYR  79          1HB       TYR  79   2.164   2.868  -0.668
  608    HD1  TYR  79           HD1      TYR  79   3.963   4.213  -3.580
  609    HD2  TYR  79           HD2      TYR  79   2.951   0.690  -1.421
  610    HE1  TYR  79           HE1      TYR  79   5.665   2.969  -4.830
  611    HE2  TYR  79           HE2      TYR  79   4.653  -0.567  -2.673
  612    HH   TYR  79           HH       TYR  79   5.834   0.081  -5.340
  613    H    PHE  80           H        PHE  80  -0.568   2.038  -0.784
  614    HA   PHE  80           HA       PHE  80  -1.796   4.351   0.505
  615   1HB   PHE  80          2HB       PHE  80  -4.090   3.368   0.129
  616   2HB   PHE  80          1HB       PHE  80  -3.316   3.995  -1.322
  617    HD1  PHE  80           HD1      PHE  80  -4.280   0.907   0.475
  618    HD2  PHE  80           HD2      PHE  80  -2.804   2.572  -3.155
  619    HE1  PHE  80           HE1      PHE  80  -4.642  -1.247  -0.659
  620    HE2  PHE  80           HE2      PHE  80  -3.167   0.423  -4.291
  621    HZ   PHE  80           HZ       PHE  80  -4.086  -1.490  -3.044
  622    HA   PRO  81           HA       PRO  81  -1.678   1.626   4.048
  623   1HB   PRO  81          2HB       PRO  81  -3.962   2.896   5.309
  624   2HB   PRO  81          1HB       PRO  81  -2.250   3.065   5.704
  625   1HG   PRO  81          2HG       PRO  81  -3.729   5.084   4.648
  626   2HG   PRO  81          1HG       PRO  81  -1.988   4.908   4.362
  627   1HD   PRO  81          2HD       PRO  81  -4.285   4.113   2.597
  628   2HD   PRO  81          1HD       PRO  81  -2.773   4.948   2.169
  629    H    SER  82           H        SER  82  -2.370  -0.399   4.254
  630    HA   SER  82           HA       SER  82  -4.675  -1.425   3.006
  631   1HB   SER  82          2HB       SER  82  -4.119  -3.531   4.115
  632   2HB   SER  82          1HB       SER  82  -2.661  -2.766   3.484
  633    HG   SER  82           HG       SER  82  -2.707  -1.823   5.810
  634    H    SER  83           H        SER  83  -4.275   0.081   6.048
  635    HA   SER  83           HA       SER  83  -6.268  -1.161   7.574
  636   1HB   SER  83          1HB       SER  83  -5.235   1.676   7.713
  637   2HB   SER  83          2HB       SER  83  -6.192   0.881   8.963
  638    HG   SER  83           HG       SER  83  -4.495  -0.672   9.127
  639    H    ILE  84           H        ILE  84  -6.632   0.958   4.860
  640    HA   ILE  84           HA       ILE  84  -9.389   1.550   5.707
  641    HB   ILE  84           HB       ILE  84  -9.483   3.327   4.093
  642   1HG1  ILE  84          1HG1      ILE  84  -6.566   2.957   3.462
  643   2HG1  ILE  84          2HG1      ILE  84  -7.812   2.160   2.496
  644   1HG2  ILE  84          1HG2      ILE  84  -7.939   4.865   5.120
  645   2HG2  ILE  84          2HG2      ILE  84  -6.957   3.528   5.720
  646   3HG2  ILE  84          3HG2      ILE  84  -8.591   3.770   6.342
  647   1HD1  ILE  84          1HD1      ILE  84  -6.964   4.939   2.531
  648   2HD1  ILE  84          2HD1      ILE  84  -8.716   4.731   2.633
  649   3HD1  ILE  84          3HD1      ILE  84  -7.815   4.023   1.286
  650    H    VAL  85           H        VAL  85  -7.754  -0.599   3.717
  651    HA   VAL  85           HA       VAL  85 -10.035  -0.738   1.859
  652    HB   VAL  85           HB       VAL  85  -8.668  -2.057   0.354
  653   1HG1  VAL  85          1HG1      VAL  85  -8.362   0.616   0.860
  654   2HG1  VAL  85          2HG1      VAL  85  -7.746  -0.242  -0.552
  655   3HG1  VAL  85          3HG1      VAL  85  -6.698   0.033   0.840
  656   1HG2  VAL  85          1HG2      VAL  85  -6.120  -2.114   0.964
  657   2HG2  VAL  85          2HG2      VAL  85  -7.212  -3.370   1.555
  658   3HG2  VAL  85          3HG2      VAL  85  -6.726  -2.048   2.619
  659    H    ARG  86           H        ARG  86 -10.769  -2.872   1.178
  660    HA   ARG  86           HA       ARG  86 -10.400  -4.988   3.165
  661   1HB   ARG  86          2HB       ARG  86 -12.379  -3.604   3.802
  662   2HB   ARG  86          1HB       ARG  86 -13.127  -4.057   2.275
  663   1HG   ARG  86          1HG       ARG  86 -13.511  -6.212   2.936
  664   2HG   ARG  86          2HG       ARG  86 -12.169  -6.215   4.083
  665   1HD   ARG  86          2HD       ARG  86 -13.416  -4.716   5.544
  666   2HD   ARG  86          1HD       ARG  86 -14.764  -4.717   4.408
  667    HE   ARG  86           HE       ARG  86 -14.165  -6.707   6.359
  668   1HH1  ARG  86          1HH1      ARG  86 -15.625  -6.268   3.196
  669   2HH1  ARG  86          2HH1      ARG  86 -16.585  -7.704   3.316
  670   1HH2  ARG  86          1HH2      ARG  86 -15.432  -8.581   6.493
  671   2HH2  ARG  86          2HH2      ARG  86 -16.476  -9.011   5.179
  672    H    GLU  87           H        GLU  87  -9.639  -6.604   1.977
  673    HA   GLU  87           HA       GLU  87 -10.234  -6.964  -0.794
  674   1HB   GLU  87          1HB       GLU  87  -8.665  -8.463   1.260
  675   2HB   GLU  87          2HB       GLU  87  -9.075  -9.269  -0.249
  676   1HG   GLU  87          2HG       GLU  87  -7.974  -7.465  -1.492
  677   2HG   GLU  87          1HG       GLU  87  -7.538  -6.697   0.032
  678    H    ASP  88           H        ASP  88 -11.726  -8.216  -1.757
  679    HA   ASP  88           HA       ASP  88 -13.352  -9.975  -0.045
  680   1HB   ASP  88          1HB       ASP  88 -14.342  -8.138  -2.233
  681   2HB   ASP  88          2HB       ASP  88 -15.335  -9.316  -1.381
  682    H    GLN  89           H        GLN  89 -12.031  -9.372  -3.271
  683    HA   GLN  89           HA       GLN  89 -12.389 -12.237  -3.841
  684   1HB   GLN  89          2HB       GLN  89 -14.291 -10.926  -4.818
  685   2HB   GLN  89          1HB       GLN  89 -13.128 -10.080  -5.824
  686   1HG   GLN  89          1HG       GLN  89 -12.976 -12.997  -6.008
  687   2HG   GLN  89          2HG       GLN  89 -14.510 -12.309  -6.541
  688   1HE2  GLN  89          1HE2      GLN  89 -11.701 -13.353  -7.660
  689   2HE2  GLN  89          2HE2      GLN  89 -11.481 -12.322  -9.029
  690    H    THR  90           H        THR  90 -10.573 -13.144  -4.524
  691    HA   THR  90           HA       THR  90  -8.323 -11.490  -5.363
  692    HB   THR  90           HB       THR  90  -8.483 -14.474  -4.880
  693    HG1  THR  90           HG1      THR  90  -7.516 -13.969  -2.895
  694   1HG2  THR  90          1HG2      THR  90  -6.555 -13.976  -6.253
  695   2HG2  THR  90          2HG2      THR  90  -6.052 -14.401  -4.616
  696   3HG2  THR  90          3HG2      THR  90  -6.059 -12.712  -5.127
  697    H    LEU  91           H        LEU  91  -7.747 -11.204  -7.410
  698    HA   LEU  91           HA       LEU  91  -9.189 -12.558  -9.536
  699   1HB   LEU  91          1HB       LEU  91  -7.000 -10.513  -9.854
  700   2HB   LEU  91          2HB       LEU  91  -8.269 -10.915 -10.991
  701    HG   LEU  91           HG       LEU  91  -8.818  -9.599  -8.334
  702   1HD1  LEU  91          1HD2      LEU  91  -8.452  -8.278 -11.014
  703   2HD1  LEU  91          2HD2      LEU  91  -7.315  -8.198  -9.668
  704   3HD1  LEU  91          3HD2      LEU  91  -8.922  -7.486  -9.510
  705   1HD2  LEU  91          1HD1      LEU  91 -10.830  -8.817  -9.809
  706   2HD2  LEU  91          2HD1      LEU  91 -10.842 -10.405  -9.039
  707   3HD2  LEU  91          3HD1      LEU  91 -10.431 -10.257 -10.748
  708    H    LYS  92           H        LYS  92  -5.872 -12.184  -8.404
  709    HA   LYS  92           HA       LYS  92  -5.109 -14.661  -9.747
  710   1HB   LYS  92          2HB       LYS  92  -4.623 -12.619 -11.213
  711   2HB   LYS  92          1HB       LYS  92  -3.420 -12.168 -10.018
  712   1HG   LYS  92          2HG       LYS  92  -1.932 -13.597 -10.847
  713   2HG   LYS  92          1HG       LYS  92  -3.103 -14.918 -10.876
  714   1HD   LYS  92          2HD       LYS  92  -3.134 -12.735 -12.945
  715   2HD   LYS  92          1HD       LYS  92  -2.103 -14.152 -13.122
  716   1HE   LYS  92          2HE       LYS  92  -4.080 -15.599 -12.983
  717   2HE   LYS  92          1HE       LYS  92  -5.106 -14.177 -12.804
  718   1HZ   LYS  92          1HZ       LYS  92  -5.151 -14.903 -15.070
  719   2HZ   LYS  92          2HZ       LYS  92  -3.463 -14.889 -15.172
  720   3HZ   LYS  92          3HZ       LYS  92  -4.310 -13.435 -15.002
  721    HA   PRO  93           HA       PRO  93  -3.295 -15.268  -5.679
  722   1HB   PRO  93          2HB       PRO  93  -1.480 -17.140  -7.094
  723   2HB   PRO  93          1HB       PRO  93  -2.507 -17.422  -5.698
  724   1HG   PRO  93          1HG       PRO  93  -3.216 -18.405  -8.028
  725   2HG   PRO  93          2HG       PRO  93  -4.438 -17.632  -6.995
  726   1HD   PRO  93          2HD       PRO  93  -2.969 -16.505  -9.349
  727   2HD   PRO  93          1HD       PRO  93  -4.703 -16.441  -8.991
  728    H    GLY  94           H        GLY  94  -1.822 -14.149  -4.613
  729   1HA   GLY  94          1HA       GLY  94   0.583 -13.212  -6.044
  730   2HA   GLY  94          2HA       GLY  94  -0.157 -12.396  -4.673
  731    H    LYS  95           H        LYS  95   1.935 -14.948  -5.710
  732    HA   LYS  95           HA       LYS  95   2.866 -15.269  -2.960
  733   1HB   LYS  95          1HB       LYS  95   3.172 -17.801  -3.701
  734   2HB   LYS  95          2HB       LYS  95   1.695 -17.211  -2.953
  735   1HG   LYS  95          2HG       LYS  95   0.681 -16.954  -5.174
  736   2HG   LYS  95          1HG       LYS  95   2.160 -17.568  -5.907
  737   1HD   LYS  95          2HD       LYS  95   0.478 -19.321  -5.779
  738   2HD   LYS  95          1HD       LYS  95   1.847 -19.708  -4.736
  739   1HE   LYS  95          2HE       LYS  95  -0.244 -20.241  -3.620
  740   2HE   LYS  95          1HE       LYS  95   0.563 -18.912  -2.790
  741   1HZ   LYS  95          1HZ       LYS  95  -1.782 -18.469  -3.004
  742   2HZ   LYS  95          2HZ       LYS  95  -1.715 -18.673  -4.681
  743   3HZ   LYS  95          3HZ       LYS  95  -0.919 -17.370  -3.957
  744    H    VAL  96           H        VAL  96   4.048 -13.741  -5.049
  745    HA   VAL  96           HA       VAL  96   6.603 -15.186  -5.339
  746    HB   VAL  96           HB       VAL  96   5.391 -13.339  -7.418
  747   1HG1  VAL  96          1HG1      VAL  96   7.398 -14.204  -8.775
  748   2HG1  VAL  96          2HG1      VAL  96   8.089 -14.638  -7.211
  749   3HG1  VAL  96          3HG1      VAL  96   7.694 -12.956  -7.563
  750   1HG2  VAL  96          1HG2      VAL  96   4.479 -15.708  -7.226
  751   2HG2  VAL  96          2HG2      VAL  96   6.069 -16.247  -7.763
  752   3HG2  VAL  96          3HG2      VAL  96   5.090 -15.216  -8.805
  753    H    ASP  97           H        ASP  97   8.043 -14.217  -4.080
  754    HA   ASP  97           HA       ASP  97   7.742 -11.473  -3.234
  755   1HB   ASP  97          2HB       ASP  97   8.501 -13.205  -1.663
  756   2HB   ASP  97          1HB       ASP  97   9.929 -13.484  -2.651
  757    H    VAL  98           H        VAL  98   8.553  -9.763  -4.201
  758    HA   VAL  98           HA       VAL  98  10.945 -10.044  -5.915
  759    HB   VAL  98           HB       VAL  98   8.647  -8.139  -6.458
  760   1HG1  VAL  98          1HG1      VAL  98  10.709  -7.313  -7.352
  761   2HG1  VAL  98          2HG1      VAL  98   9.744  -7.940  -8.688
  762   3HG1  VAL  98          3HG1      VAL  98  11.093  -8.884  -8.056
  763   1HG2  VAL  98          1HG2      VAL  98   8.991 -10.951  -7.204
  764   2HG2  VAL  98          2HG2      VAL  98   8.636  -9.876  -8.556
  765   3HG2  VAL  98          3HG2      VAL  98   7.540  -9.951  -7.177
  766    H    LYS  99           H        LYS  99  12.516  -8.479  -5.645
  767    HA   LYS  99           HA       LYS  99  12.302  -6.789  -3.309
  768   1HB   LYS  99          1HB       LYS  99  14.533  -7.092  -5.336
  769   2HB   LYS  99          2HB       LYS  99  14.637  -6.107  -3.891
  770   1HG   LYS  99          2HG       LYS  99  15.719  -8.020  -3.239
  771   2HG   LYS  99          1HG       LYS  99  14.086  -8.320  -2.652
  772   1HD   LYS  99          2HD       LYS  99  13.622  -9.684  -4.631
  773   2HD   LYS  99          1HD       LYS  99  15.249  -9.364  -5.237
  774   1HE   LYS  99          2HE       LYS  99  14.582 -10.783  -2.658
  775   2HE   LYS  99          1HE       LYS  99  15.070 -11.567  -4.159
  776   1HZ   LYS  99          1HZ       LYS  99  16.679  -9.925  -2.320
  777   2HZ   LYS  99          2HZ       LYS  99  17.124 -10.041  -3.948
  778   3HZ   LYS  99          3HZ       LYS  99  17.036 -11.436  -2.995
  779    H    THR 100           H        THR 100  12.617  -4.460  -3.330
  780    HA   THR 100           HA       THR 100  11.467  -3.236  -5.741
  781    HB   THR 100           HB       THR 100  10.905  -1.317  -4.351
  782    HG1  THR 100           HG1      THR 100  12.507  -1.155  -2.890
  783   1HG2  THR 100          1HG2      THR 100   9.632  -3.659  -4.147
  784   2HG2  THR 100          2HG2      THR 100   9.151  -2.208  -3.266
  785   3HG2  THR 100          3HG2      THR 100  10.124  -3.444  -2.468
  786    H    ASP 101           H        ASP 101  12.501  -1.770  -6.950
  787    HA   ASP 101           HA       ASP 101  15.337  -1.374  -6.490
  788   1HB   ASP 101          2HB       ASP 101  13.546  -0.587  -8.794
  789   2HB   ASP 101          1HB       ASP 101  15.282  -0.306  -8.749
  790    H    LYS 102           H        LYS 102  15.952   1.045  -7.466
  791    HA   LYS 102           HA       LYS 102  14.966   2.819  -5.402
  792   1HB   LYS 102          2HB       LYS 102  16.723   4.357  -6.157
  793   2HB   LYS 102          1HB       LYS 102  17.363   2.753  -5.839
  794   1HG   LYS 102          1HG       LYS 102  17.441   2.275  -8.210
  795   2HG   LYS 102          2HG       LYS 102  16.697   3.830  -8.573
  796   1HD   LYS 102          2HD       LYS 102  19.294   3.643  -7.074
  797   2HD   LYS 102          1HD       LYS 102  19.243   3.617  -8.835
  798   1HE   LYS 102          2HE       LYS 102  19.638   5.866  -8.237
  799   2HE   LYS 102          1HE       LYS 102  17.939   5.787  -8.697
  800   1HZ   LYS 102          1HZ       LYS 102  17.253   6.158  -6.577
  801   2HZ   LYS 102          2HZ       LYS 102  18.725   6.990  -6.513
  802   3HZ   LYS 102          3HZ       LYS 102  18.608   5.430  -5.870
  803    H    TRP 103           H        TRP 103  13.835   2.048  -8.390
  804    HA   TRP 103           HA       TRP 103  12.957   4.778  -9.030
  805   1HB   TRP 103          2HB       TRP 103  12.774   2.274 -10.724
  806   2HB   TRP 103          1HB       TRP 103  12.331   3.897 -11.233
  807    HD1  TRP 103           HD1      TRP 103  15.365   1.666 -10.649
  808    HE1  TRP 103           HE1      TRP 103  17.445   2.802 -11.655
  809    HE3  TRP 103           HE3      TRP 103  13.339   6.223 -11.783
  810    HZ2  TRP 103           HZ2      TRP 103  18.137   5.296 -12.773
  811    HZ3  TRP 103           HZ3      TRP 103  14.779   7.930 -12.818
  812    HH2  TRP 103           HH2      TRP 103  17.129   7.474 -13.302
  813    H    ASP 104           H        ASP 104  11.894   2.919  -6.898
  814    HA   ASP 104           HA       ASP 104   9.101   2.726  -7.799
  815   1HB   ASP 104          2HB       ASP 104  10.659   1.217  -5.711
  816   2HB   ASP 104          1HB       ASP 104   8.900   1.198  -5.731
  817    H    PHE 105           H        PHE 105  11.193   4.473  -5.762
  818    HA   PHE 105           HA       PHE 105   8.967   5.983  -4.694
  819   1HB   PHE 105          2HB       PHE 105  10.239   5.822  -2.343
  820   2HB   PHE 105          1HB       PHE 105   8.949   4.720  -2.796
  821    HD1  PHE 105           HD1      PHE 105  12.683   4.912  -3.256
  822    HD2  PHE 105           HD2      PHE 105   9.278   2.546  -2.281
  823    HE1  PHE 105           HE1      PHE 105  14.143   2.970  -2.869
  824    HE2  PHE 105           HE2      PHE 105  10.729   0.605  -1.889
  825    HZ   PHE 105           HZ       PHE 105  13.168   0.814  -2.185
  826    H    TYR 106           H        TYR 106  10.669   6.867  -6.562
  827    HA   TYR 106           HA       TYR 106  11.970   9.087  -5.218
  828   1HB   TYR 106          2HB       TYR 106  13.759   7.401  -5.342
  829   2HB   TYR 106          1HB       TYR 106  13.505   7.242  -7.072
  830    HD1  TYR 106           HD1      TYR 106  15.294   8.060  -8.232
  831    HD2  TYR 106           HD2      TYR 106  14.003  10.218  -4.783
  832    HE1  TYR 106           HE1      TYR 106  17.012   9.765  -8.652
  833    HE2  TYR 106           HE2      TYR 106  15.705  11.919  -5.213
  834    HH   TYR 106           HH       TYR 106  17.144  12.737  -6.813
  835    H    CYS 107           H        CYS 107  10.910  10.712  -6.173
  836    HA   CYS 107           HA       CYS 107  10.425  10.611  -9.072
  837   1HB   CYS 107          2HB       CYS 107   9.127  12.266  -6.902
  838   2HB   CYS 107          1HB       CYS 107   8.800  12.472  -8.618
  839    H    GLN 108           HN       GLN 108  11.128  12.171 -10.440
  840    HA   GLN 108           HA       GLN 108  12.563  14.492  -9.386
  841   1HB   GLN 108          2HB       GLN 108  13.730  12.386 -11.190
  842   2HB   GLN 108          1HB       GLN 108  14.334  14.036 -11.215
  843   1HG   GLN 108          2HG       GLN 108  14.221  12.327  -8.739
  844   2HG   GLN 108          1HG       GLN 108  15.633  12.463  -9.786
  845   1HE2  GLN 108          1HE2      GLN 108  14.220  13.602  -7.046
  846   2HE2  GLN 108          2HE2      GLN 108  15.043  15.114  -6.901
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1   6.961  14.058  -4.657
    2   2H    MET   1          2HT       MET   1   5.836  14.014  -5.919
    3   3H    MET   1          3HT       MET   1   6.496  15.492  -5.427
    4    HA   MET   1           HA       MET   1   7.796  13.291  -6.906
    5   1HB   MET   1          2HB       MET   1   7.531  16.275  -7.359
    6   2HB   MET   1          1HB       MET   1   8.394  15.171  -8.419
    7   1HG   MET   1          1HG       MET   1   6.316  13.981  -8.882
    8   2HG   MET   1          2HG       MET   1   5.447  15.077  -7.808
    9   1HE   MET   1          1HE       MET   1   3.911  15.055  -9.724
   10   2HE   MET   1          2HE       MET   1   4.646  14.849 -11.314
   11   3HE   MET   1          3HE       MET   1   3.894  16.385 -10.883
   12    H    GLY   2           H        GLY   2   9.860  12.842  -6.541
   13   1HA   GLY   2          2HA       GLY   2  12.105  14.051  -6.275
   14   2HA   GLY   2          1HA       GLY   2  11.401  14.624  -4.771
   15    HA   PRO   3           HA       PRO   3  13.380  10.414  -4.109
   16   1HB   PRO   3          2HB       PRO   3  15.727  11.348  -2.878
   17   2HB   PRO   3          1HB       PRO   3  15.577  10.689  -4.504
   18   1HG   PRO   3          1HG       PRO   3  16.196  13.348  -3.794
   19   2HG   PRO   3          2HG       PRO   3  15.898  12.708  -5.415
   20   1HD   PRO   3          1HD       PRO   3  14.123  14.254  -3.651
   21   2HD   PRO   3          2HD       PRO   3  14.090  14.063  -5.411
   22    H    MET   4           H        MET   4  12.165   9.729  -2.485
   23    HA   MET   4           HA       MET   4  12.475  10.990   0.158
   24   1HB   MET   4          2HB       MET   4  10.150  10.047   0.607
   25   2HB   MET   4          1HB       MET   4  10.244  11.389  -0.520
   26   1HG   MET   4          1HG       MET   4   8.764   9.992  -1.573
   27   2HG   MET   4          2HG       MET   4  10.285   9.540  -2.336
   28   1HE   MET   4          1HE       MET   4   8.811   8.237   1.322
   29   2HE   MET   4          2HE       MET   4   7.733   7.080   0.541
   30   3HE   MET   4          3HE       MET   4   7.596   8.800   0.175
   31    HA   PRO   5           HA       PRO   5  14.090   7.256   1.938
   32   1HB   PRO   5          1HB       PRO   5  12.472   6.920   4.169
   33   2HB   PRO   5          2HB       PRO   5  13.905   7.946   4.091
   34   1HG   PRO   5          2HG       PRO   5  11.028   8.685   3.801
   35   2HG   PRO   5          1HG       PRO   5  12.329   9.540   4.652
   36   1HD   PRO   5          1HD       PRO   5  11.498  10.360   2.268
   37   2HD   PRO   5          2HD       PRO   5  13.223  10.394   2.680
   38    H    LYS   6           H        LYS   6  13.806   5.073   1.909
   39    HA   LYS   6           HA       LYS   6  11.738   3.983   0.377
   40   1HB   LYS   6          1HB       LYS   6  13.635   2.560   2.248
   41   2HB   LYS   6          2HB       LYS   6  12.679   1.797   0.987
   42   1HG   LYS   6          2HG       LYS   6  13.888   3.071  -0.710
   43   2HG   LYS   6          1HG       LYS   6  14.844   3.846   0.551
   44   1HD   LYS   6          1HD       LYS   6  14.770   0.863   0.140
   45   2HD   LYS   6          2HD       LYS   6  15.954   1.914  -0.635
   46   1HE   LYS   6          2HE       LYS   6  16.731   2.659   1.566
   47   2HE   LYS   6          1HE       LYS   6  15.549   1.604   2.340
   48   1HZ   LYS   6          1HZ       LYS   6  16.653  -0.299   1.313
   49   2HZ   LYS   6          2HZ       LYS   6  17.715   0.569   2.303
   50   3HZ   LYS   6          3HZ       LYS   6  17.807   0.727   0.622
   51    H    LEU   7           H        LEU   7   9.878   2.989   0.810
   52    HA   LEU   7           HA       LEU   7   8.695   3.293   3.426
   53   1HB   LEU   7          1HB       LEU   7   7.727   3.312   0.851
   54   2HB   LEU   7          2HB       LEU   7   7.268   1.711   1.383
   55    HG   LEU   7           HG       LEU   7   5.433   3.278   1.665
   56   1HD1  LEU   7          1HD1      LEU   7   5.552   1.465   3.259
   57   2HD1  LEU   7          2HD1      LEU   7   4.916   2.919   4.028
   58   3HD1  LEU   7          3HD1      LEU   7   6.587   2.430   4.314
   59   1HD2  LEU   7          1HD2      LEU   7   7.318   5.142   2.281
   60   2HD2  LEU   7          2HD2      LEU   7   6.602   4.809   3.858
   61   3HD2  LEU   7          3HD2      LEU   7   5.580   5.330   2.517
   62    H    ALA   8           H        ALA   8   9.833   0.727   1.318
   63    HA   ALA   8           HA       ALA   8  10.172  -1.089   3.536
   64   1HB   ALA   8          1HB       ALA   8   8.295  -2.255   3.267
   65   2HB   ALA   8          2HB       ALA   8   8.856  -2.710   1.657
   66   3HB   ALA   8          3HB       ALA   8   7.843  -1.282   1.865
   67    H    ASP   9           H        ASP   9  10.918  -3.345   2.482
   68    HA   ASP   9           HA       ASP   9  13.029  -2.620   0.576
   69   1HB   ASP   9          2HB       ASP   9  12.806  -4.999   2.434
   70   2HB   ASP   9          1HB       ASP   9  14.158  -4.684   1.351
   71    H    ARG  10           H        ARG  10  10.998  -5.486   1.268
   72    HA   ARG  10           HA       ARG  10  10.836  -5.953  -1.638
   73   1HB   ARG  10          2HB       ARG  10  11.027  -7.929   0.621
   74   2HB   ARG  10          1HB       ARG  10  10.415  -8.393  -0.953
   75   1HG   ARG  10          1HG       ARG  10  12.629  -9.026  -1.053
   76   2HG   ARG  10          2HG       ARG  10  12.650  -7.449  -1.839
   77   1HD   ARG  10          2HD       ARG  10  13.422  -6.416   0.228
   78   2HD   ARG  10          1HD       ARG  10  13.374  -7.981   1.040
   79    HE   ARG  10           HE       ARG  10  15.008  -8.205  -1.221
   80   1HH1  ARG  10          1HH1      ARG  10  15.029  -6.603   1.899
   81   2HH1  ARG  10          2HH1      ARG  10  16.756  -6.599   2.014
   82   1HH2  ARG  10          1HH2      ARG  10  17.271  -8.190  -1.052
   83   2HH2  ARG  10          2HH2      ARG  10  18.025  -7.496   0.344
   84    H    LYS  11           H        LYS  11   8.904  -6.745  -2.485
   85    HA   LYS  11           HA       LYS  11   6.527  -6.452  -0.776
   86   1HB   LYS  11          2HB       LYS  11   5.360  -5.512  -2.750
   87   2HB   LYS  11          1HB       LYS  11   6.705  -4.511  -2.221
   88   1HG   LYS  11          1HG       LYS  11   8.088  -5.635  -4.011
   89   2HG   LYS  11          2HG       LYS  11   6.579  -6.321  -4.618
   90   1HD   LYS  11          2HD       LYS  11   5.673  -4.066  -4.897
   91   2HD   LYS  11          1HD       LYS  11   7.190  -3.390  -4.300
   92   1HE   LYS  11          2HE       LYS  11   8.381  -4.409  -6.178
   93   2HE   LYS  11          1HE       LYS  11   6.865  -5.085  -6.774
   94   1HZ   LYS  11          1HZ       LYS  11   7.800  -2.835  -7.694
   95   2HZ   LYS  11          2HZ       LYS  11   7.018  -2.193  -6.338
   96   3HZ   LYS  11          3HZ       LYS  11   6.136  -3.064  -7.489
   97    H    LEU  12           H        LEU  12   4.548  -7.456  -1.937
   98    HA   LEU  12           HA       LEU  12   5.344 -10.046  -3.096
   99   1HB   LEU  12          2HB       LEU  12   2.985  -9.407  -1.319
  100   2HB   LEU  12          1HB       LEU  12   3.235 -10.947  -2.113
  101    HG   LEU  12           HG       LEU  12   5.127  -9.773  -0.071
  102   1HD1  LEU  12          1HD1      LEU  12   2.711 -11.489   0.185
  103   2HD1  LEU  12          2HD1      LEU  12   3.323 -10.231   1.257
  104   3HD1  LEU  12          3HD1      LEU  12   4.094 -11.817   1.230
  105   1HD2  LEU  12          1HD2      LEU  12   5.759 -12.287   0.015
  106   2HD2  LEU  12          2HD2      LEU  12   6.391 -11.286  -1.293
  107   3HD2  LEU  12          3HD2      LEU  12   5.018 -12.354  -1.584
  108    H    CYS  13           H        CYS  13   4.880 -10.123  -5.170
  109    HA   CYS  13           HA       CYS  13   2.426  -8.825  -6.156
  110   1HB   CYS  13          2HB       CYS  13   5.001  -9.343  -7.663
  111   2HB   CYS  13          1HB       CYS  13   3.567  -8.554  -8.311
  112    H    ALA  14           H        ALA  14   1.847  -9.876  -8.424
  113    HA   ALA  14           HA       ALA  14   1.289 -12.654  -7.868
  114   1HB   ALA  14          1HB       ALA  14   0.002 -12.528 -10.018
  115   2HB   ALA  14          2HB       ALA  14   0.486 -10.835 -10.128
  116   3HB   ALA  14          3HB       ALA  14  -0.505 -11.384  -8.775
  117    H    ASP  15           H        ASP  15   3.455 -10.832  -9.900
  118    HA   ASP  15           HA       ASP  15   4.871 -13.254 -10.589
  119   1HB   ASP  15          1HB       ASP  15   4.947 -12.587 -13.052
  120   2HB   ASP  15          2HB       ASP  15   3.448 -13.299 -12.468
  121    H    GLN  16           H        GLN  16   6.802 -12.573 -12.141
  122    HA   GLN  16           HA       GLN  16   8.476 -10.901 -10.625
  123   1HB   GLN  16          2HB       GLN  16   9.166 -12.816 -12.097
  124   2HB   GLN  16          1HB       GLN  16   8.902 -11.772 -13.485
  125   1HG   GLN  16          2HG       GLN  16  10.623 -10.243 -12.663
  126   2HG   GLN  16          1HG       GLN  16  10.887 -11.293 -11.272
  127   1HE2  GLN  16          1HE2      GLN  16  12.589 -12.547 -11.457
  128   2HE2  GLN  16          2HE2      GLN  16  13.230 -13.195 -12.924
  129    H    GLU  17           H        GLU  17   6.269 -10.126 -13.166
  130    HA   GLU  17           HA       GLU  17   7.572  -7.605 -13.810
  131   1HB   GLU  17          2HB       GLU  17   4.987  -8.835 -14.790
  132   2HB   GLU  17          1HB       GLU  17   5.574  -7.266 -15.309
  133   1HG   GLU  17          2HG       GLU  17   6.273  -8.631 -17.019
  134   2HG   GLU  17          1HG       GLU  17   7.708  -8.562 -16.001
  135    H    CYS  18           H        CYS  18   5.147  -8.819 -11.699
  136    HA   CYS  18           HA       CYS  18   3.680  -7.899 -10.234
  137   1HB   CYS  18          1HB       CYS  18   5.912  -6.886  -9.483
  138   2HB   CYS  18          2HB       CYS  18   5.394  -5.411 -10.291
  139    H    SER  19           H        SER  19   3.209  -7.599 -13.027
  140    HA   SER  19           HA       SER  19   1.880  -5.024 -13.320
  141   1HB   SER  19          2HB       SER  19   3.354  -5.780 -15.123
  142   2HB   SER  19          1HB       SER  19   2.378  -7.223 -15.305
  143    HG   SER  19           HG       SER  19   1.865  -5.531 -16.816
  144    H    HIS  20           H        HIS  20   1.155  -8.048 -12.205
  145    HA   HIS  20           HA       HIS  20  -1.620  -8.024 -13.152
  146   1HB   HIS  20          2HB       HIS  20   0.225 -10.115 -12.130
  147   2HB   HIS  20          1HB       HIS  20  -1.481 -10.310 -11.763
  148    HD1  HIS  20           HD1      HIS  20  -0.883 -12.508 -13.273
  149    HD2  HIS  20           HD2      HIS  20  -1.241  -8.884 -15.264
  150    HE1  HIS  20           HE1      HIS  20  -1.367 -13.107 -15.648
  151    HE2  HIS  20           HE2      HIS  20  -1.432 -10.900 -16.878
  152    HA   PRO  21           HA       PRO  21  -2.911  -6.888  -9.020
  153   1HB   PRO  21          1HB       PRO  21  -5.595  -7.135  -9.376
  154   2HB   PRO  21          2HB       PRO  21  -4.645  -5.824 -10.076
  155   1HG   PRO  21          1HG       PRO  21  -5.957  -8.048 -11.413
  156   2HG   PRO  21          2HG       PRO  21  -5.239  -6.590 -12.116
  157   1HD   PRO  21          1HD       PRO  21  -4.118  -9.280 -11.886
  158   2HD   PRO  21          2HD       PRO  21  -3.554  -7.903 -12.859
  159    H    ILE  22           H        ILE  22  -2.930  -8.009  -7.153
  160    HA   ILE  22           HA       ILE  22  -3.368 -10.824  -7.121
  161    HB   ILE  22           HB       ILE  22  -3.131  -8.986  -4.729
  162   1HG1  ILE  22          1HG1      ILE  22  -0.930 -10.624  -6.000
  163   2HG1  ILE  22          2HG1      ILE  22  -1.205  -8.929  -6.403
  164   1HG2  ILE  22          1HG2      ILE  22  -2.679 -10.916  -3.433
  165   2HG2  ILE  22          2HG2      ILE  22  -2.486 -11.928  -4.864
  166   3HG2  ILE  22          3HG2      ILE  22  -4.087 -11.335  -4.415
  167   1HD1  ILE  22          1HD1      ILE  22  -0.962  -8.477  -3.908
  168   2HD1  ILE  22          2HD1      ILE  22   0.493  -8.898  -4.810
  169   3HD1  ILE  22          3HD1      ILE  22  -0.301 -10.108  -3.803
  170    H    SER  23           H        SER  23  -5.060  -8.219  -5.333
  171    HA   SER  23           HA       SER  23  -7.555  -9.721  -5.689
  172   1HB   SER  23          2HB       SER  23  -6.561  -8.662  -3.037
  173   2HB   SER  23          1HB       SER  23  -8.132  -9.410  -3.319
  174    HG   SER  23           HG       SER  23  -5.943 -10.628  -2.651
  175    H    MET  24           H        MET  24  -9.423  -8.544  -5.650
  176    HA   MET  24           HA       MET  24  -9.153  -5.690  -6.155
  177   1HB   MET  24          1HB       MET  24 -10.538  -7.373  -7.557
  178   2HB   MET  24          2HB       MET  24 -11.703  -7.298  -6.244
  179   1HG   MET  24          2HG       MET  24 -11.643  -4.757  -6.603
  180   2HG   MET  24          1HG       MET  24 -10.861  -5.143  -8.131
  181   1HE   MET  24          1HE       MET  24 -13.649  -6.978  -6.119
  182   2HE   MET  24          2HE       MET  24 -15.107  -6.586  -7.033
  183   3HE   MET  24          3HE       MET  24 -14.288  -5.334  -6.101
  184    H    ALA  25           H        ALA  25  -9.214  -4.401  -4.391
  185    HA   ALA  25           HA       ALA  25 -10.978  -5.186  -2.165
  186   1HB   ALA  25          1HB       ALA  25  -8.297  -3.967  -2.272
  187   2HB   ALA  25          2HB       ALA  25  -9.008  -5.052  -1.078
  188   3HB   ALA  25          3HB       ALA  25  -9.388  -3.330  -1.041
  189    H    VAL  26           H        VAL  26 -12.350  -3.721  -1.223
  190    HA   VAL  26           HA       VAL  26 -12.994  -1.360  -2.864
  191    HB   VAL  26           HB       VAL  26 -14.662  -2.642  -0.678
  192   1HG1  VAL  26          1HG2      VAL  26 -15.139  -0.408  -2.606
  193   2HG1  VAL  26          2HG2      VAL  26 -15.521  -0.507  -0.888
  194   3HG1  VAL  26          3HG2      VAL  26 -16.490  -1.400  -2.059
  195   1HG2  VAL  26          1HG1      VAL  26 -15.992  -3.620  -2.491
  196   2HG2  VAL  26          2HG1      VAL  26 -14.329  -4.209  -2.513
  197   3HG2  VAL  26          3HG1      VAL  26 -14.846  -2.982  -3.671
  198    H    ALA  27           H        ALA  27 -12.975   0.712  -2.046
  199    HA   ALA  27           HA       ALA  27 -11.520   1.128   0.436
  200   1HB   ALA  27          1HB       ALA  27 -10.889   3.092  -0.431
  201   2HB   ALA  27          2HB       ALA  27 -12.521   3.494  -0.968
  202   3HB   ALA  27          3HB       ALA  27 -11.507   2.434  -1.948
  203    H    LEU  28           H        LEU  28 -12.320   1.840   2.310
  204    HA   LEU  28           HA       LEU  28 -15.214   2.203   2.525
  205   1HB   LEU  28          2HB       LEU  28 -13.075   1.488   4.511
  206   2HB   LEU  28          1HB       LEU  28 -14.651   2.034   5.044
  207    HG   LEU  28           HG       LEU  28 -14.586  -0.357   5.164
  208   1HD1  LEU  28          1HD1      LEU  28 -16.595   0.956   4.018
  209   2HD1  LEU  28          2HD1      LEU  28 -16.606  -0.793   4.246
  210   3HD1  LEU  28          3HD1      LEU  28 -16.170  -0.111   2.680
  211   1HD2  LEU  28          1HD2      LEU  28 -12.851  -0.275   3.067
  212   2HD2  LEU  28          2HD2      LEU  28 -14.306  -0.936   2.321
  213   3HD2  LEU  28          3HD2      LEU  28 -13.596  -1.733   3.724
  214    H    GLN  29           H        GLN  29 -12.353   4.081   2.568
  215    HA   GLN  29           HA       GLN  29 -13.898   6.417   3.333
  216   1HB   GLN  29          1HB       GLN  29 -12.283   7.164   5.040
  217   2HB   GLN  29          2HB       GLN  29 -13.093   5.672   5.496
  218   1HG   GLN  29          2HG       GLN  29 -11.142   4.380   4.934
  219   2HG   GLN  29          1HG       GLN  29 -10.330   5.816   4.307
  220   1HE2  GLN  29          1HE2      GLN  29  -9.004   6.814   5.637
  221   2HE2  GLN  29          2HE2      GLN  29  -9.012   6.702   7.359
  222    H    ASP  30           H        ASP  30 -12.122   8.372   3.488
  223    HA   ASP  30           HA       ASP  30 -10.871   8.368   0.844
  224   1HB   ASP  30          2HB       ASP  30 -11.657  10.604   2.712
  225   2HB   ASP  30          1HB       ASP  30 -10.721  10.868   1.246
  226    H    TYR  31           H        TYR  31  -8.830   9.274   0.493
  227    HA   TYR  31           HA       TYR  31  -6.990   9.692   2.687
  228   1HB   TYR  31          2HB       TYR  31  -7.007   7.176   2.127
  229   2HB   TYR  31          1HB       TYR  31  -6.312   7.629   0.579
  230    HD1  TYR  31           HD1      TYR  31  -4.009   7.768   0.350
  231    HD2  TYR  31           HD2      TYR  31  -5.695   8.008   4.252
  232    HE1  TYR  31           HE1      TYR  31  -1.751   7.749   1.324
  233    HE2  TYR  31           HE2      TYR  31  -3.443   7.995   5.233
  234    HH   TYR  31           HH       TYR  31  -1.085   8.637   4.441
  235    H    MET  32           H        MET  32  -5.111  10.858   1.998
  236    HA   MET  32           HA       MET  32  -5.168  11.736  -0.808
  237   1HB   MET  32          2HB       MET  32  -4.924  13.406   1.665
  238   2HB   MET  32          1HB       MET  32  -4.236  13.961   0.145
  239   1HG   MET  32          1HG       MET  32  -6.440  13.784  -0.901
  240   2HG   MET  32          2HG       MET  32  -7.108  13.243   0.636
  241   1HE   MET  32          1HE       MET  32  -7.604  15.942   2.800
  242   2HE   MET  32          2HE       MET  32  -5.850  15.771   2.894
  243   3HE   MET  32          3HE       MET  32  -6.865  14.344   2.677
  244    H    ALA  33           H        ALA  33  -3.274  11.942  -1.859
  245    HA   ALA  33           HA       ALA  33  -0.967  10.712  -0.578
  246   1HB   ALA  33          1HB       ALA  33  -1.346   9.677  -2.592
  247   2HB   ALA  33          2HB       ALA  33  -0.113  10.861  -3.029
  248   3HB   ALA  33          3HB       ALA  33  -1.809  11.175  -3.398
  249    HA   PRO  34           HA       PRO  34   0.858  14.852  -0.228
  250   1HB   PRO  34          2HB       PRO  34   3.111  13.488   1.040
  251   2HB   PRO  34          1HB       PRO  34   2.006  14.676   1.732
  252   1HG   PRO  34          2HG       PRO  34   1.998  12.093   2.490
  253   2HG   PRO  34          1HG       PRO  34   0.509  13.062   2.423
  254   1HD   PRO  34          2HD       PRO  34   1.574  11.084   0.427
  255   2HD   PRO  34          1HD       PRO  34  -0.073  11.266   1.061
  256    H    ASP  35           H        ASP  35   3.248  12.224  -0.588
  257    HA   ASP  35           HA       ASP  35   4.576  13.721  -2.706
  258   1HB   ASP  35          2HB       ASP  35   6.350  11.944  -2.459
  259   2HB   ASP  35          1HB       ASP  35   6.072  12.930  -1.028
  260    H    CYS  36           H        CYS  36   5.524  12.339  -4.507
  261    HA   CYS  36           HA       CYS  36   3.431  11.299  -6.089
  262   1HB   CYS  36          2HB       CYS  36   5.383  12.456  -7.005
  263   2HB   CYS  36          1HB       CYS  36   6.430  11.158  -6.450
  264    H    ARG  37           H        ARG  37   5.286   9.741  -3.680
  265    HA   ARG  37           HA       ARG  37   5.257   7.137  -4.893
  266   1HB   ARG  37          2HB       ARG  37   7.121   7.814  -3.498
  267   2HB   ARG  37          1HB       ARG  37   6.046   8.106  -2.143
  268   1HG   ARG  37          1HG       ARG  37   7.100   6.084  -1.671
  269   2HG   ARG  37          2HG       ARG  37   5.485   5.663  -2.228
  270   1HD   ARG  37          1HD       ARG  37   7.847   5.679  -4.083
  271   2HD   ARG  37          2HD       ARG  37   7.442   4.269  -3.106
  272    HE   ARG  37           HE       ARG  37   5.215   5.211  -4.629
  273   1HH1  ARG  37          1HH1      ARG  37   8.096   3.222  -4.789
  274   2HH1  ARG  37          2HH1      ARG  37   7.524   2.302  -6.140
  275   1HH2  ARG  37          1HH2      ARG  37   4.481   3.994  -6.395
  276   2HH2  ARG  37          2HH2      ARG  37   5.479   2.739  -7.049
  277    H    PHE  38           H        PHE  38   3.055   8.982  -2.953
  278    HA   PHE  38           HA       PHE  38   1.656   6.544  -2.099
  279   1HB   PHE  38          2HB       PHE  38   1.554   9.394  -1.196
  280   2HB   PHE  38          1HB       PHE  38   0.160   8.360  -0.917
  281    HD1  PHE  38           HD1      PHE  38   3.890   8.146  -0.496
  282    HD2  PHE  38           HD2      PHE  38   0.035   7.384   1.138
  283    HE1  PHE  38           HE1      PHE  38   4.933   7.256   1.542
  284    HE2  PHE  38           HE2      PHE  38   1.074   6.493   3.179
  285    HZ   PHE  38           HZ       PHE  38   3.526   6.428   3.384
  286    H    LEU  39           H        LEU  39  -0.850   6.785  -2.118
  287    HA   LEU  39           HA       LEU  39  -1.703   7.820  -4.751
  288   1HB   LEU  39          1HB       LEU  39  -1.442   5.377  -4.794
  289   2HB   LEU  39          2HB       LEU  39  -2.519   5.229  -3.423
  290    HG   LEU  39           HG       LEU  39  -4.338   6.227  -4.880
  291   1HD1  LEU  39          1HD2      LEU  39  -3.070   7.277  -6.604
  292   2HD1  LEU  39          2HD2      LEU  39  -3.963   5.946  -7.341
  293   3HD1  LEU  39          3HD2      LEU  39  -2.242   5.769  -6.994
  294   1HD2  LEU  39          1HD1      LEU  39  -3.100   3.568  -5.089
  295   2HD2  LEU  39          2HD1      LEU  39  -4.230   3.982  -6.379
  296   3HD2  LEU  39          3HD1      LEU  39  -4.758   4.024  -4.697
  297    H    THR  40           H        THR  40  -3.649   8.860  -4.865
  298    HA   THR  40           HA       THR  40  -4.992   9.469  -2.337
  299    HB   THR  40           HB       THR  40  -5.489  10.674  -5.074
  300    HG1  THR  40           HG1      THR  40  -3.775  11.816  -4.769
  301   1HG2  THR  40          1HG2      THR  40  -7.188  10.973  -3.128
  302   2HG2  THR  40          2HG2      THR  40  -6.683  12.369  -4.079
  303   3HG2  THR  40          3HG2      THR  40  -5.976  12.084  -2.487
  304    H    ILE  41           H        ILE  41  -6.835   8.517  -1.770
  305    HA   ILE  41           HA       ILE  41  -8.461   7.182  -3.837
  306    HB   ILE  41           HB       ILE  41  -7.615   6.173  -1.114
  307   1HG1  ILE  41          1HG1      ILE  41  -7.570   4.742  -3.766
  308   2HG1  ILE  41          2HG1      ILE  41  -6.263   5.824  -3.277
  309   1HG2  ILE  41          1HG2      ILE  41  -9.879   5.158  -2.826
  310   2HG2  ILE  41          2HG2      ILE  41  -9.938   5.662  -1.137
  311   3HG2  ILE  41          3HG2      ILE  41  -9.091   4.181  -1.587
  312   1HD1  ILE  41          1HD1      ILE  41  -6.459   4.216  -1.100
  313   2HD1  ILE  41          2HD1      ILE  41  -5.347   3.964  -2.446
  314   3HD1  ILE  41          3HD1      ILE  41  -6.886   3.104  -2.401
  315    H    HIS  42           H        HIS  42 -10.717   7.062  -3.468
  316    HA   HIS  42           HA       HIS  42 -11.764   8.949  -1.461
  317   1HB   HIS  42          2HB       HIS  42 -12.838   8.376  -4.236
  318   2HB   HIS  42          1HB       HIS  42 -13.639   9.390  -3.040
  319    HD1  HIS  42           HD1      HIS  42 -11.804  11.399  -2.151
  320    HD2  HIS  42           HD2      HIS  42 -11.491   9.888  -6.009
  321    HE1  HIS  42           HE1      HIS  42 -10.528  13.133  -3.450
  322    HE2  HIS  42           HE2      HIS  42 -10.371  12.209  -5.789
  323    H    ARG  43           H        ARG  43 -13.829   8.402  -0.537
  324    HA   ARG  43           HA       ARG  43 -14.081   5.693   0.169
  325   1HB   ARG  43          2HB       ARG  43 -14.847   7.544   1.588
  326   2HB   ARG  43          1HB       ARG  43 -16.105   7.926   0.428
  327   1HG   ARG  43          2HG       ARG  43 -17.143   5.752   0.857
  328   2HG   ARG  43          1HG       ARG  43 -15.876   5.388   2.029
  329   1HD   ARG  43          2HD       ARG  43 -16.559   7.376   3.328
  330   2HD   ARG  43          1HD       ARG  43 -17.879   7.636   2.186
  331    HE   ARG  43           HE       ARG  43 -18.038   5.023   3.172
  332   1HH1  ARG  43          1HH1      ARG  43 -18.476   8.311   4.306
  333   2HH1  ARG  43          2HH1      ARG  43 -19.627   7.863   5.518
  334   1HH2  ARG  43          1HH2      ARG  43 -19.550   4.452   4.768
  335   2HH2  ARG  43          2HH2      ARG  43 -20.234   5.679   5.780
  336    H    GLY  44           H        GLY  44 -14.777   4.054  -1.024
  337   1HA   GLY  44          2HA       GLY  44 -16.620   2.930  -2.065
  338   2HA   GLY  44          1HA       GLY  44 -17.136   4.466  -2.734
  339    H    GLN  45           H        GLN  45 -13.823   4.299  -3.166
  340    HA   GLN  45           HA       GLN  45 -14.190   3.710  -5.972
  341   1HB   GLN  45          1HB       GLN  45 -11.715   4.508  -4.420
  342   2HB   GLN  45          2HB       GLN  45 -11.742   4.212  -6.154
  343   1HG   GLN  45          2HG       GLN  45 -13.575   5.989  -6.250
  344   2HG   GLN  45          1HG       GLN  45 -13.056   6.416  -4.620
  345   1HE2  GLN  45          1HE2      GLN  45 -12.743   7.270  -7.715
  346   2HE2  GLN  45          2HE2      GLN  45 -11.159   7.958  -7.699
  347    H    VAL  46           H        VAL  46 -13.203   2.112  -7.158
  348    HA   VAL  46           HA       VAL  46 -12.717  -0.376  -5.731
  349    HB   VAL  46           HB       VAL  46 -12.582   0.065  -8.722
  350   1HG1  VAL  46          1HG1      VAL  46 -12.765  -2.328  -6.948
  351   2HG1  VAL  46          2HG1      VAL  46 -11.704  -2.024  -8.324
  352   3HG1  VAL  46          3HG1      VAL  46 -13.407  -2.394  -8.590
  353   1HG2  VAL  46          1HG2      VAL  46 -14.825  -0.070  -8.983
  354   2HG2  VAL  46          2HG2      VAL  46 -14.808   0.680  -7.386
  355   3HG2  VAL  46          3HG2      VAL  46 -15.048  -1.060  -7.539
  356    H    VAL  47           H        VAL  47 -10.705  -0.488  -4.865
  357    HA   VAL  47           HA       VAL  47  -8.452   0.475  -6.481
  358    HB   VAL  47           HB       VAL  47  -8.351  -0.225  -3.549
  359   1HG1  VAL  47          1HG1      VAL  47  -6.313   0.975  -3.504
  360   2HG1  VAL  47          2HG1      VAL  47  -6.581   1.635  -5.118
  361   3HG1  VAL  47          3HG1      VAL  47  -6.231  -0.082  -4.914
  362   1HG2  VAL  47          1HG2      VAL  47  -9.344   2.224  -4.892
  363   2HG2  VAL  47          2HG2      VAL  47  -8.309   2.441  -3.481
  364   3HG2  VAL  47          3HG2      VAL  47  -9.803   1.513  -3.345
  365    H    TYR  48           H        TYR  48  -7.315  -0.959  -7.550
  366    HA   TYR  48           HA       TYR  48  -7.407  -3.778  -6.872
  367   1HB   TYR  48          2HB       TYR  48  -6.270  -2.212  -9.176
  368   2HB   TYR  48          1HB       TYR  48  -5.788  -3.876  -8.917
  369    HD1  TYR  48           HD1      TYR  48  -6.661  -4.994 -10.729
  370    HD2  TYR  48           HD2      TYR  48  -9.225  -2.375  -8.561
  371    HE1  TYR  48           HE1      TYR  48  -8.576  -5.778 -12.052
  372    HE2  TYR  48           HE2      TYR  48 -11.139  -3.157  -9.884
  373    HH   TYR  48           HH       TYR  48 -10.782  -5.056 -12.704
  374    H    VAL  49           H        VAL  49  -5.960  -4.714  -5.573
  375    HA   VAL  49           HA       VAL  49  -3.571  -3.266  -4.764
  376    HB   VAL  49           HB       VAL  49  -4.492  -5.987  -3.808
  377   1HG1  VAL  49          1HG1      VAL  49  -2.439  -5.916  -2.892
  378   2HG1  VAL  49          2HG1      VAL  49  -3.207  -4.842  -1.721
  379   3HG1  VAL  49          3HG1      VAL  49  -2.301  -4.166  -3.077
  380   1HG2  VAL  49          1HG2      VAL  49  -5.645  -4.940  -2.009
  381   2HG2  VAL  49          2HG2      VAL  49  -6.207  -4.175  -3.494
  382   3HG2  VAL  49          3HG2      VAL  49  -5.039  -3.348  -2.464
  383    H    PHE  50           H        PHE  50  -1.764  -3.467  -5.911
  384    HA   PHE  50           HA       PHE  50  -1.324  -5.845  -7.539
  385   1HB   PHE  50          2HB       PHE  50  -0.043  -3.121  -7.488
  386   2HB   PHE  50          1HB       PHE  50   0.675  -4.457  -8.377
  387    HD1  PHE  50           HD1      PHE  50  -2.505  -2.524  -8.081
  388    HD2  PHE  50           HD2      PHE  50   0.039  -4.882 -10.550
  389    HE1  PHE  50           HE1      PHE  50  -3.929  -2.023 -10.023
  390    HE2  PHE  50           HE2      PHE  50  -1.383  -4.384 -12.495
  391    HZ   PHE  50           HZ       PHE  50  -3.368  -2.952 -12.233
  392    H    SER  51           H        SER  51   0.213  -4.090  -4.857
  393    HA   SER  51           HA       SER  51   1.829  -6.483  -4.346
  394   1HB   SER  51          2HB       SER  51   3.832  -5.080  -3.917
  395   2HB   SER  51          1HB       SER  51   3.313  -5.036  -5.598
  396    HG   SER  51           HG       SER  51   3.835  -2.959  -4.532
  397    H    LYS  52           H        LYS  52   2.499  -6.819  -2.248
  398    HA   LYS  52           HA       LYS  52   1.365  -5.015  -0.199
  399   1HB   LYS  52          1HB       LYS  52   1.706  -7.996   0.172
  400   2HB   LYS  52          2HB       LYS  52   0.847  -6.878   1.208
  401   1HG   LYS  52          1HG       LYS  52  -0.835  -6.550  -0.544
  402   2HG   LYS  52          2HG       LYS  52   0.016  -7.716  -1.560
  403   1HD   LYS  52          1HD       LYS  52  -0.326  -9.436   0.171
  404   2HD   LYS  52          2HD       LYS  52  -1.232  -8.265   1.131
  405   1HE   LYS  52          2HE       LYS  52  -2.871  -8.050  -0.669
  406   2HE   LYS  52          1HE       LYS  52  -1.963  -9.218  -1.636
  407   1HZ   LYS  52          1HZ       LYS  52  -3.766 -10.341  -0.588
  408   2HZ   LYS  52          2HZ       LYS  52  -3.355  -9.729   0.935
  409   3HZ   LYS  52          3HZ       LYS  52  -2.342 -10.847   0.173
  410    H    LEU  53           H        LEU  53   2.977  -4.020   0.863
  411    HA   LEU  53           HA       LEU  53   5.683  -4.882   0.657
  412   1HB   LEU  53          1HB       LEU  53   4.515  -2.826   2.530
  413   2HB   LEU  53          2HB       LEU  53   6.205  -2.990   2.086
  414    HG   LEU  53           HG       LEU  53   3.989  -2.264   0.158
  415   1HD1  LEU  53          1HD2      LEU  53   5.297  -0.678   2.117
  416   2HD1  LEU  53          2HD2      LEU  53   4.124  -0.183   0.897
  417   3HD1  LEU  53          3HD2      LEU  53   5.847  -0.162   0.523
  418   1HD2  LEU  53          1HD1      LEU  53   6.780  -2.996  -0.194
  419   2HD2  LEU  53          2HD1      LEU  53   6.399  -1.415  -0.878
  420   3HD2  LEU  53          3HD1      LEU  53   5.490  -2.839  -1.389
  421    H    LYS  54           H        LYS  54   7.142  -5.500   2.319
  422    HA   LYS  54           HA       LYS  54   5.872  -6.744   4.682
  423   1HB   LYS  54          1HB       LYS  54   8.060  -7.893   2.944
  424   2HB   LYS  54          2HB       LYS  54   7.610  -8.545   4.511
  425   1HG   LYS  54          2HG       LYS  54   5.369  -9.014   3.670
  426   2HG   LYS  54          1HG       LYS  54   5.824  -8.351   2.098
  427   1HD   LYS  54          1HD       LYS  54   6.069 -10.665   1.851
  428   2HD   LYS  54          2HD       LYS  54   7.706 -10.078   2.110
  429   1HE   LYS  54          2HE       LYS  54   7.564 -10.718   4.469
  430   2HE   LYS  54          1HE       LYS  54   5.923 -11.308   4.211
  431   1HZ   LYS  54          1HZ       LYS  54   7.410 -13.151   4.148
  432   2HZ   LYS  54          2HZ       LYS  54   8.415 -12.392   3.019
  433   3HZ   LYS  54          3HZ       LYS  54   6.861 -12.886   2.569
  434    H    GLY  55           H        GLY  55   8.845  -5.371   3.318
  435   1HA   GLY  55          1HA       GLY  55  10.453  -5.469   5.613
  436   2HA   GLY  55          2HA       GLY  55  10.646  -4.330   4.289
  437    H    ARG  56           H        ARG  56   9.730  -4.781   7.515
  438    HA   ARG  56           HA       ARG  56   8.748  -3.554   9.136
  439   1HB   ARG  56          2HB       ARG  56   9.786  -1.269   9.432
  440   2HB   ARG  56          1HB       ARG  56  10.890  -2.624   9.334
  441   1HG   ARG  56          2HG       ARG  56  11.990  -1.115   8.046
  442   2HG   ARG  56          1HG       ARG  56  11.031  -1.924   6.808
  443   1HD   ARG  56          2HD       ARG  56   9.369  -0.140   6.910
  444   2HD   ARG  56          1HD       ARG  56  10.299   0.664   8.173
  445    HE   ARG  56           HE       ARG  56  10.765   0.780   5.366
  446   1HH1  ARG  56          1HH1      ARG  56  12.420   0.914   8.461
  447   2HH1  ARG  56          2HH1      ARG  56  13.780   1.774   7.824
  448   1HH2  ARG  56          1HH2      ARG  56  12.559   1.906   4.556
  449   2HH2  ARG  56          2HH2      ARG  56  13.859   2.335   5.618
  450    H    GLY  57           H        GLY  57   7.153  -3.610   6.725
  451   1HA   GLY  57          1HA       GLY  57   5.256  -1.574   7.479
  452   2HA   GLY  57          2HA       GLY  57   5.940  -1.341   5.875
  453    H    ARG  58           H        ARG  58   4.864  -4.200   7.708
  454    HA   ARG  58           HA       ARG  58   3.723  -5.415   5.394
  455   1HB   ARG  58          2HB       ARG  58   2.802  -7.098   7.057
  456   2HB   ARG  58          1HB       ARG  58   4.550  -6.940   6.985
  457   1HG   ARG  58          1HG       ARG  58   3.250  -5.233   8.986
  458   2HG   ARG  58          2HG       ARG  58   3.094  -6.969   9.266
  459   1HD   ARG  58          2HD       ARG  58   5.710  -5.570   8.721
  460   2HD   ARG  58          1HD       ARG  58   5.098  -5.922  10.338
  461    HE   ARG  58           HE       ARG  58   6.391  -7.731   8.557
  462   1HH1  ARG  58          1HH1      ARG  58   3.977  -7.608  11.106
  463   2HH1  ARG  58          2HH1      ARG  58   4.168  -9.278  11.520
  464   1HH2  ARG  58          1HH2      ARG  58   6.623  -9.912   9.121
  465   2HH2  ARG  58          2HH2      ARG  58   5.664 -10.580  10.400
  466    H    LEU  59           H        LEU  59   2.586  -3.068   7.526
  467    HA   LEU  59           HA       LEU  59  -0.229  -3.723   7.150
  468   1HB   LEU  59          1HB       LEU  59   1.092  -1.422   8.601
  469   2HB   LEU  59          2HB       LEU  59  -0.633  -1.726   8.562
  470    HG   LEU  59           HG       LEU  59   1.376  -3.650   9.742
  471   1HD1  LEU  59          1HD1      LEU  59  -0.383  -2.268  11.596
  472   2HD1  LEU  59          2HD1      LEU  59   0.721  -1.175  10.760
  473   3HD1  LEU  59          3HD1      LEU  59   1.358  -2.541  11.675
  474   1HD2  LEU  59          1HD2      LEU  59  -0.787  -4.614   9.002
  475   2HD2  LEU  59          2HD2      LEU  59  -1.618  -3.487  10.075
  476   3HD2  LEU  59          3HD2      LEU  59  -0.540  -4.712  10.746
  477    H    PHE  60           H        PHE  60   2.074  -2.373   5.288
  478    HA   PHE  60           HA       PHE  60   0.259  -0.387   4.098
  479   1HB   PHE  60          2HB       PHE  60   3.269  -0.521   4.163
  480   2HB   PHE  60          1HB       PHE  60   2.414   0.480   2.999
  481    HD1  PHE  60           HD1      PHE  60   2.651  -0.120   6.685
  482    HD2  PHE  60           HD2      PHE  60   1.889   2.651   3.544
  483    HE1  PHE  60           HE1      PHE  60   2.521   1.704   8.330
  484    HE2  PHE  60           HE2      PHE  60   1.758   4.478   5.185
  485    HZ   PHE  60           HZ       PHE  60   2.074   4.006   7.580
  486    H    TRP  61           H        TRP  61  -0.573  -0.802   2.204
  487    HA   TRP  61           HA       TRP  61   0.625  -2.905   0.529
  488   1HB   TRP  61          2HB       TRP  61  -2.242  -2.012   0.875
  489   2HB   TRP  61          1HB       TRP  61  -1.731  -3.005  -0.482
  490    HD1  TRP  61           HD1      TRP  61   0.319  -4.505   1.976
  491    HE1  TRP  61           HE1      TRP  61  -0.809  -6.463   3.188
  492    HE3  TRP  61           HE3      TRP  61  -4.559  -3.533   0.752
  493    HZ2  TRP  61           HZ2      TRP  61  -3.409  -7.461   3.600
  494    HZ3  TRP  61           HZ3      TRP  61  -6.302  -5.043   1.604
  495    HH2  TRP  61           HH2      TRP  61  -5.739  -6.965   3.000
  496    H    GLY  62           H        GLY  62  -0.475  -2.462  -1.889
  497   1HA   GLY  62          2HA       GLY  62  -0.324   0.337  -2.618
  498   2HA   GLY  62          1HA       GLY  62   1.083  -0.631  -3.141
  499    H    GLY  63           H        GLY  63  -0.911   0.776  -4.736
  500   1HA   GLY  63          1HA       GLY  63  -1.253  -1.044  -6.810
  501   2HA   GLY  63          2HA       GLY  63  -2.751  -1.028  -5.893
  502    H    SER  64           H        SER  64  -3.887  -0.194  -7.654
  503    HA   SER  64           HA       SER  64  -3.573   2.704  -8.002
  504   1HB   SER  64          2HB       SER  64  -2.485   1.571  -9.939
  505   2HB   SER  64          1HB       SER  64  -4.023   0.793 -10.309
  506    HG   SER  64           HG       SER  64  -3.181   3.236 -10.987
  507    H    VAL  65           H        VAL  65  -5.562   3.634  -9.144
  508    HA   VAL  65           HA       VAL  65  -7.941   2.319  -8.031
  509    HB   VAL  65           HB       VAL  65  -8.999   4.650  -8.437
  510   1HG1  VAL  65          1HG2      VAL  65  -8.884   4.879  -6.236
  511   2HG1  VAL  65          2HG2      VAL  65  -7.126   5.028  -6.252
  512   3HG1  VAL  65          3HG2      VAL  65  -7.876   3.432  -6.255
  513   1HG2  VAL  65          1HG1      VAL  65  -6.186   5.628  -8.121
  514   2HG2  VAL  65          2HG1      VAL  65  -7.635   6.528  -8.565
  515   3HG2  VAL  65          3HG1      VAL  65  -6.905   5.409  -9.715
  516    H    GLN  66           H        GLN  66  -9.338   1.397  -9.326
  517    HA   GLN  66           HA       GLN  66  -9.317   2.008 -12.185
  518   1HB   GLN  66          2HB       GLN  66  -9.270  -0.370 -11.558
  519   2HB   GLN  66          1HB       GLN  66 -10.755  -0.171 -10.640
  520   1HG   GLN  66          2HG       GLN  66 -12.023   0.222 -12.611
  521   2HG   GLN  66          1HG       GLN  66 -10.565   0.330 -13.599
  522   1HE2  GLN  66          1HE2      GLN  66 -13.066  -1.608 -12.671
  523   2HE2  GLN  66          2HE2      GLN  66 -12.410  -3.147 -13.104
  524    H    GLY  67           H        GLY  67 -11.155   2.436  -9.307
  525   1HA   GLY  67          1HA       GLY  67 -13.704   2.979 -10.239
  526   2HA   GLY  67          2HA       GLY  67 -13.004   3.621  -8.760
  527    H    ASP  68           H        ASP  68 -13.959   4.186 -11.880
  528    HA   ASP  68           HA       ASP  68 -14.406   6.074 -13.074
  529   1HB   ASP  68          2HB       ASP  68 -13.051   7.563 -10.809
  530   2HB   ASP  68          1HB       ASP  68 -13.799   8.340 -12.203
  531    H    TYR  69           H        TYR  69 -13.013   4.994 -14.526
  532    HA   TYR  69           HA       TYR  69 -10.270   5.966 -14.744
  533   1HB   TYR  69          2HB       TYR  69 -10.833   3.517 -14.907
  534   2HB   TYR  69          1HB       TYR  69 -11.718   3.864 -16.382
  535    HD1  TYR  69           HD1      TYR  69 -10.641   3.429 -18.355
  536    HD2  TYR  69           HD2      TYR  69  -8.300   4.459 -14.956
  537    HE1  TYR  69           HE1      TYR  69  -8.596   3.062 -19.659
  538    HE2  TYR  69           HE2      TYR  69  -6.249   4.101 -16.255
  539    HH   TYR  69           HH       TYR  69  -6.200   2.509 -19.219
  540    H    TYR  70           H        TYR  70 -12.467   5.120 -17.385
  541    HA   TYR  70           HA       TYR  70 -12.912   6.112 -19.379
  542   1HB   TYR  70          1HB       TYR  70 -14.424   7.184 -17.564
  543   2HB   TYR  70          2HB       TYR  70 -13.436   8.619 -17.804
  544    HD1  TYR  70           HD1      TYR  70 -14.407  10.216 -19.134
  545    HD2  TYR  70           HD2      TYR  70 -15.147   6.121 -20.027
  546    HE1  TYR  70           HE1      TYR  70 -15.834  10.889 -21.019
  547    HE2  TYR  70           HE2      TYR  70 -16.570   6.785 -21.918
  548    HH   TYR  70           HH       TYR  70 -16.593   9.168 -23.459
  549    H    GLY  71           H        GLY  71 -10.193   6.096 -19.177
  550   1HA   GLY  71          2HA       GLY  71  -9.289   7.821 -21.063
  551   2HA   GLY  71          1HA       GLY  71  -9.110   8.737 -19.576
  552    H    ASP  72           H        ASP  72  -7.411   8.391 -18.308
  553    HA   ASP  72           HA       ASP  72  -5.846   5.994 -18.297
  554   1HB   ASP  72          1HB       ASP  72  -5.121   7.146 -20.441
  555   2HB   ASP  72          2HB       ASP  72  -4.509   8.454 -19.436
  556    H    LEU  73           H        LEU  73  -5.422   5.857 -16.188
  557    HA   LEU  73           HA       LEU  73  -3.983   7.927 -14.829
  558   1HB   LEU  73          2HB       LEU  73  -5.663   8.122 -12.965
  559   2HB   LEU  73          1HB       LEU  73  -6.080   8.920 -14.466
  560    HG   LEU  73           HG       LEU  73  -7.342   6.580 -14.865
  561   1HD1  LEU  73          1HD2      LEU  73  -6.482   6.064 -12.416
  562   2HD1  LEU  73          2HD2      LEU  73  -8.061   5.518 -12.983
  563   3HD1  LEU  73          3HD2      LEU  73  -7.936   6.966 -11.983
  564   1HD2  LEU  73          1HD1      LEU  73  -8.345   8.773 -15.054
  565   2HD2  LEU  73          2HD1      LEU  73  -8.373   8.939 -13.297
  566   3HD2  LEU  73          3HD1      LEU  73  -9.377   7.721 -14.083
  567    H    ALA  74           H        ALA  74  -4.413   4.814 -15.430
  568    HA   ALA  74           HA       ALA  74  -3.946   3.784 -12.746
  569   1HB   ALA  74          1HB       ALA  74  -4.342   2.461 -15.414
  570   2HB   ALA  74          2HB       ALA  74  -5.367   2.383 -13.979
  571   3HB   ALA  74          3HB       ALA  74  -3.801   1.564 -13.993
  572    H    ALA  75           H        ALA  75  -2.091   5.239 -15.019
  573    HA   ALA  75           HA       ALA  75   0.216   3.565 -15.085
  574   1HB   ALA  75          1HB       ALA  75   1.134   6.091 -15.627
  575   2HB   ALA  75          2HB       ALA  75  -0.560   6.185 -16.108
  576   3HB   ALA  75          3HB       ALA  75   0.490   4.957 -16.815
  577    H    ARG  76           H        ARG  76  -0.856   6.250 -13.078
  578    HA   ARG  76           HA       ARG  76   1.628   6.414 -11.636
  579   1HB   ARG  76          1HB       ARG  76   0.325   7.989 -10.134
  580   2HB   ARG  76          2HB       ARG  76   0.481   8.472 -11.814
  581   1HG   ARG  76          2HG       ARG  76  -1.801   7.685 -12.248
  582   2HG   ARG  76          1HG       ARG  76  -1.954   7.225 -10.552
  583   1HD   ARG  76          2HD       ARG  76  -3.005   9.373 -10.926
  584   2HD   ARG  76          1HD       ARG  76  -1.582   9.569  -9.905
  585    HE   ARG  76           HE       ARG  76  -0.823   9.983 -12.565
  586   1HH1  ARG  76          1HH1      ARG  76  -2.793  11.537 -10.114
  587   2HH1  ARG  76          2HH1      ARG  76  -2.548  13.124 -10.760
  588   1HH2  ARG  76          1HH2      ARG  76  -0.513  12.073 -13.397
  589   2HH2  ARG  76          2HH2      ARG  76  -1.259  13.428 -12.618
  590    H    LEU  77           H        LEU  77   2.131   4.617 -10.599
  591    HA   LEU  77           HA       LEU  77   0.180   3.198  -8.968
  592   1HB   LEU  77          1HB       LEU  77   1.907   2.130 -10.539
  593   2HB   LEU  77          2HB       LEU  77   3.102   2.550  -9.331
  594    HG   LEU  77           HG       LEU  77   1.860   1.130  -7.687
  595   1HD1  LEU  77          1HD2      LEU  77  -0.093   0.154  -8.150
  596   2HD1  LEU  77          2HD2      LEU  77   0.465  -0.398  -9.729
  597   3HD1  LEU  77          3HD2      LEU  77  -0.185   1.231  -9.545
  598   1HD2  LEU  77          1HD1      LEU  77   3.776   0.422  -9.311
  599   2HD2  LEU  77          2HD1      LEU  77   2.510  -0.549 -10.065
  600   3HD2  LEU  77          3HD1      LEU  77   2.920  -0.798  -8.367
  601    H    GLY  78           H        GLY  78   0.080   3.327  -6.759
  602   1HA   GLY  78          1HA       GLY  78   2.357   4.548  -5.342
  603   2HA   GLY  78          2HA       GLY  78   0.776   5.292  -5.180
  604    H    TYR  79           H        TYR  79   1.655   4.760  -2.874
  605    HA   TYR  79           HA       TYR  79   0.693   2.089  -2.091
  606   1HB   TYR  79          2HB       TYR  79   2.646   3.925  -0.686
  607   2HB   TYR  79          1HB       TYR  79   2.041   2.419  -0.004
  608    HD1  TYR  79           HD1      TYR  79   4.860   3.705  -1.266
  609    HD2  TYR  79           HD2      TYR  79   2.226   0.475  -2.108
  610    HE1  TYR  79           HE1      TYR  79   6.696   2.495  -2.364
  611    HE2  TYR  79           HE2      TYR  79   4.051  -0.740  -3.211
  612    HH   TYR  79           HH       TYR  79   6.690  -0.689  -2.988
  613    H    PHE  80           H        PHE  80  -0.485   1.894  -0.103
  614    HA   PHE  80           HA       PHE  80  -1.663   4.251   1.090
  615   1HB   PHE  80          2HB       PHE  80  -4.007   3.504   0.608
  616   2HB   PHE  80          1HB       PHE  80  -3.128   4.019  -0.826
  617    HD1  PHE  80           HD1      PHE  80  -4.436   1.072   0.996
  618    HD2  PHE  80           HD2      PHE  80  -2.735   2.530  -2.625
  619    HE1  PHE  80           HE1      PHE  80  -4.993  -1.048  -0.117
  620    HE2  PHE  80           HE2      PHE  80  -3.291   0.411  -3.738
  621    HZ   PHE  80           HZ       PHE  80  -4.421  -1.381  -2.486
  622    HA   PRO  81           HA       PRO  81  -1.819   1.500   4.608
  623   1HB   PRO  81          2HB       PRO  81  -4.258   2.726   5.647
  624   2HB   PRO  81          1HB       PRO  81  -2.612   2.822   6.275
  625   1HG   PRO  81          2HG       PRO  81  -3.872   4.943   5.158
  626   2HG   PRO  81          1HG       PRO  81  -2.116   4.706   5.056
  627   1HD   PRO  81          2HD       PRO  81  -4.230   4.133   3.009
  628   2HD   PRO  81          1HD       PRO  81  -2.628   4.876   2.799
  629    H    SER  82           H        SER  82  -2.612  -0.502   4.980
  630    HA   SER  82           HA       SER  82  -4.658  -1.595   3.368
  631   1HB   SER  82          2HB       SER  82  -4.332  -3.641   4.667
  632   2HB   SER  82          1HB       SER  82  -2.774  -2.909   4.290
  633    HG   SER  82           HG       SER  82  -2.709  -3.423   6.428
  634    H    SER  83           H        SER  83  -4.720  -0.043   6.447
  635    HA   SER  83           HA       SER  83  -7.086  -1.140   7.509
  636   1HB   SER  83          1HB       SER  83  -5.789   1.538   8.032
  637   2HB   SER  83          2HB       SER  83  -7.058   0.814   9.021
  638    HG   SER  83           HG       SER  83  -4.865   0.455   9.775
  639    H    ILE  84           H        ILE  84  -6.684   1.150   4.932
  640    HA   ILE  84           HA       ILE  84  -9.376   2.208   5.355
  641    HB   ILE  84           HB       ILE  84  -8.993   3.799   3.627
  642   1HG1  ILE  84          1HG1      ILE  84  -6.245   2.654   3.152
  643   2HG1  ILE  84          2HG1      ILE  84  -7.638   2.184   2.178
  644   1HG2  ILE  84          1HG2      ILE  84  -7.366   5.116   4.669
  645   2HG2  ILE  84          2HG2      ILE  84  -6.428   3.713   5.180
  646   3HG2  ILE  84          3HG2      ILE  84  -7.978   4.064   5.944
  647   1HD1  ILE  84          1HD1      ILE  84  -7.145   3.892   0.867
  648   2HD1  ILE  84          2HD1      ILE  84  -5.998   4.549   2.035
  649   3HD1  ILE  84          3HD1      ILE  84  -7.713   4.937   2.169
  650    H    VAL  85           H        VAL  85  -8.052  -0.435   3.798
  651    HA   VAL  85           HA       VAL  85 -10.338  -0.509   1.932
  652    HB   VAL  85           HB       VAL  85  -9.031  -1.901   0.395
  653   1HG1  VAL  85          1HG1      VAL  85  -8.954   0.767   0.577
  654   2HG1  VAL  85          2HG1      VAL  85  -8.121  -0.140  -0.686
  655   3HG1  VAL  85          3HG1      VAL  85  -7.232   0.416   0.733
  656   1HG2  VAL  85          1HG2      VAL  85  -6.483  -1.869   0.760
  657   2HG2  VAL  85          2HG2      VAL  85  -7.445  -3.029   1.677
  658   3HG2  VAL  85          3HG2      VAL  85  -6.875  -1.548   2.449
  659    H    ARG  86           H        ARG  86 -10.937  -2.749   1.253
  660    HA   ARG  86           HA       ARG  86 -10.483  -4.762   3.326
  661   1HB   ARG  86          2HB       ARG  86 -12.555  -3.480   3.889
  662   2HB   ARG  86          1HB       ARG  86 -13.245  -4.009   2.361
  663   1HG   ARG  86          2HG       ARG  86 -13.157  -6.316   3.069
  664   2HG   ARG  86          1HG       ARG  86 -12.349  -5.851   4.569
  665   1HD   ARG  86          2HD       ARG  86 -14.309  -4.547   5.218
  666   2HD   ARG  86          1HD       ARG  86 -15.120  -5.014   3.723
  667    HE   ARG  86           HE       ARG  86 -14.345  -7.339   5.074
  668   1HH1  ARG  86          1HH1      ARG  86 -16.617  -4.696   5.464
  669   2HH1  ARG  86          2HH1      ARG  86 -17.746  -5.646   6.368
  670   1HH2  ARG  86          1HH2      ARG  86 -15.837  -8.570   6.262
  671   2HH2  ARG  86          2HH2      ARG  86 -17.305  -7.838   6.820
  672    H    GLU  87           H        GLU  87  -9.801  -6.516   2.332
  673    HA   GLU  87           HA       GLU  87 -10.234  -6.966  -0.473
  674   1HB   GLU  87          1HB       GLU  87  -8.617  -8.180   1.679
  675   2HB   GLU  87          2HB       GLU  87  -9.121  -9.280   0.403
  676   1HG   GLU  87          2HG       GLU  87  -8.144  -7.696  -1.251
  677   2HG   GLU  87          1HG       GLU  87  -7.520  -6.752   0.101
  678    H    ASP  88           H        ASP  88 -11.777  -8.148  -1.400
  679    HA   ASP  88           HA       ASP  88 -13.396  -9.915   0.313
  680   1HB   ASP  88          1HB       ASP  88 -14.350  -8.161  -1.959
  681   2HB   ASP  88          2HB       ASP  88 -15.352  -9.312  -1.082
  682    H    GLN  89           H        GLN  89 -12.056  -9.358  -2.914
  683    HA   GLN  89           HA       GLN  89 -12.354 -12.248  -3.430
  684   1HB   GLN  89          2HB       GLN  89 -14.193 -10.976  -4.546
  685   2HB   GLN  89          1HB       GLN  89 -12.980 -10.101  -5.466
  686   1HG   GLN  89          2HG       GLN  89 -12.562 -12.921  -5.751
  687   2HG   GLN  89          1HG       GLN  89 -14.238 -12.519  -6.122
  688   1HE2  GLN  89          1HE2      GLN  89 -11.344 -12.958  -7.478
  689   2HE2  GLN  89          2HE2      GLN  89 -11.465 -11.918  -8.850
  690    H    THR  90           H        THR  90 -10.649 -13.221  -4.413
  691    HA   THR  90           HA       THR  90  -8.313 -11.548  -5.031
  692    HB   THR  90           HB       THR  90  -8.438 -14.550  -4.668
  693    HG1  THR  90           HG1      THR  90  -7.700 -14.172  -2.597
  694   1HG2  THR  90          1HG2      THR  90  -6.242 -14.682  -4.960
  695   2HG2  THR  90          2HG2      THR  90  -5.943 -13.194  -4.060
  696   3HG2  THR  90          3HG2      THR  90  -6.396 -13.119  -5.763
  697    H    LEU  91           H        LEU  91  -7.751 -11.202  -7.067
  698    HA   LEU  91           HA       LEU  91  -9.211 -12.461  -9.225
  699   1HB   LEU  91          1HB       LEU  91  -6.992 -10.433  -9.443
  700   2HB   LEU  91          2HB       LEU  91  -8.239 -10.783 -10.622
  701    HG   LEU  91           HG       LEU  91  -8.921  -9.648  -7.922
  702   1HD1  LEU  91          1HD2      LEU  91  -7.347  -8.095  -8.786
  703   2HD1  LEU  91          2HD2      LEU  91  -8.954  -7.424  -9.060
  704   3HD1  LEU  91          3HD2      LEU  91  -8.068  -8.165 -10.393
  705   1HD2  LEU  91          1HD1      LEU  91 -10.940 -10.132  -8.784
  706   2HD2  LEU  91          2HD1      LEU  91 -10.341 -10.179 -10.442
  707   3HD2  LEU  91          3HD1      LEU  91 -10.693  -8.629  -9.674
  708    H    LYS  92           H        LYS  92  -5.862 -12.298  -8.103
  709    HA   LYS  92           HA       LYS  92  -5.248 -14.766  -9.482
  710   1HB   LYS  92          2HB       LYS  92  -4.879 -12.830 -11.123
  711   2HB   LYS  92          1HB       LYS  92  -3.529 -12.361 -10.102
  712   1HG   LYS  92          1HG       LYS  92  -2.243 -14.143 -10.723
  713   2HG   LYS  92          2HG       LYS  92  -3.633 -15.177 -11.048
  714   1HD   LYS  92          1HD       LYS  92  -2.867 -12.833 -12.790
  715   2HD   LYS  92          2HD       LYS  92  -2.304 -14.477 -13.071
  716   1HE   LYS  92          2HE       LYS  92  -4.623 -15.236 -13.290
  717   2HE   LYS  92          1HE       LYS  92  -5.188 -13.590 -13.008
  718   1HZ   LYS  92          1HZ       LYS  92  -3.311 -14.158 -15.207
  719   2HZ   LYS  92          2HZ       LYS  92  -4.412 -12.883 -15.049
  720   3HZ   LYS  92          3HZ       LYS  92  -4.968 -14.439 -15.410
  721    HA   PRO  93           HA       PRO  93  -2.982 -15.474  -5.680
  722   1HB   PRO  93          1HB       PRO  93  -1.126 -16.977  -7.471
  723   2HB   PRO  93          2HB       PRO  93  -1.864 -17.467  -5.944
  724   1HG   PRO  93          1HG       PRO  93  -2.799 -18.385  -8.253
  725   2HG   PRO  93          2HG       PRO  93  -3.902 -17.955  -6.931
  726   1HD   PRO  93          2HD       PRO  93  -3.312 -16.494  -9.460
  727   2HD   PRO  93          1HD       PRO  93  -4.820 -16.602  -8.538
  728    H    GLY  94           H        GLY  94  -1.530 -14.332  -4.627
  729   1HA   GLY  94          1HA       GLY  94   0.656 -13.029  -6.132
  730   2HA   GLY  94          2HA       GLY  94  -0.101 -12.350  -4.696
  731    H    LYS  95           H        LYS  95   1.924 -14.934  -5.900
  732    HA   LYS  95           HA       LYS  95   3.080 -15.226  -3.220
  733   1HB   LYS  95          1HB       LYS  95   3.494 -17.688  -4.062
  734   2HB   LYS  95          2HB       LYS  95   1.967 -17.218  -3.327
  735   1HG   LYS  95          2HG       LYS  95   0.958 -16.958  -5.515
  736   2HG   LYS  95          1HG       LYS  95   2.494 -17.343  -6.288
  737   1HD   LYS  95          2HD       LYS  95   1.267 -19.333  -6.402
  738   2HD   LYS  95          1HD       LYS  95   2.355 -19.577  -5.036
  739   1HE   LYS  95          2HE       LYS  95  -0.487 -18.617  -4.739
  740   2HE   LYS  95          1HE       LYS  95  -0.039 -20.320  -4.703
  741   1HZ   LYS  95          1HZ       LYS  95   0.032 -19.853  -2.498
  742   2HZ   LYS  95          2HZ       LYS  95   0.440 -18.227  -2.720
  743   3HZ   LYS  95          3HZ       LYS  95   1.622 -19.425  -2.884
  744    H    VAL  96           H        VAL  96   4.111 -13.516  -5.255
  745    HA   VAL  96           HA       VAL  96   6.709 -14.830  -5.748
  746    HB   VAL  96           HB       VAL  96   5.384 -12.820  -7.594
  747   1HG1  VAL  96          1HG1      VAL  96   8.016 -14.283  -7.827
  748   2HG1  VAL  96          2HG1      VAL  96   7.787 -12.548  -7.612
  749   3HG1  VAL  96          3HG1      VAL  96   7.276 -13.325  -9.110
  750   1HG2  VAL  96          1HG2      VAL  96   5.818 -15.789  -7.878
  751   2HG2  VAL  96          2HG2      VAL  96   5.378 -14.727  -9.214
  752   3HG2  VAL  96          3HG2      VAL  96   4.282 -14.924  -7.848
  753    H    ASP  97           H        ASP  97   8.205 -13.909  -4.505
  754    HA   ASP  97           HA       ASP  97   7.828 -11.232  -3.452
  755   1HB   ASP  97          2HB       ASP  97   8.628 -13.146  -2.043
  756   2HB   ASP  97          1HB       ASP  97  10.120 -13.152  -2.975
  757    H    VAL  98           H        VAL  98   8.564  -9.474  -4.401
  758    HA   VAL  98           HA       VAL  98  11.026  -9.605  -6.026
  759    HB   VAL  98           HB       VAL  98   8.628  -7.877  -6.702
  760   1HG1  VAL  98          1HG1      VAL  98  11.217  -7.478  -7.401
  761   2HG1  VAL  98          2HG1      VAL  98   9.834  -6.954  -8.360
  762   3HG1  VAL  98          3HG1      VAL  98  10.652  -8.467  -8.748
  763   1HG2  VAL  98          1HG2      VAL  98   9.068 -10.656  -7.267
  764   2HG2  VAL  98          2HG2      VAL  98   9.060  -9.727  -8.765
  765   3HG2  VAL  98          3HG2      VAL  98   7.683  -9.639  -7.665
  766    H    LYS  99           H        LYS  99  12.511  -8.054  -5.553
  767    HA   LYS  99           HA       LYS  99  11.964  -6.247  -3.357
  768   1HB   LYS  99          2HB       LYS  99  14.359  -5.655  -3.513
  769   2HB   LYS  99          1HB       LYS  99  14.110  -7.386  -3.382
  770   1HG   LYS  99          2HG       LYS  99  14.313  -6.382  -6.124
  771   2HG   LYS  99          1HG       LYS  99  15.767  -6.203  -5.146
  772   1HD   LYS  99          2HD       LYS  99  15.711  -8.593  -4.621
  773   2HD   LYS  99          1HD       LYS  99  14.250  -8.775  -5.590
  774   1HE   LYS  99          2HE       LYS  99  15.481  -8.053  -7.578
  775   2HE   LYS  99          1HE       LYS  99  16.942  -7.876  -6.607
  776   1HZ   LYS  99          1HZ       LYS  99  15.521 -10.456  -6.703
  777   2HZ   LYS  99          2HZ       LYS  99  17.146 -10.149  -6.349
  778   3HZ   LYS  99          3HZ       LYS  99  16.590 -10.026  -7.941
  779    H    THR 100           H        THR 100  12.557  -3.916  -3.478
  780    HA   THR 100           HA       THR 100  11.698  -2.788  -6.058
  781    HB   THR 100           HB       THR 100  11.120  -0.749  -4.800
  782    HG1  THR 100           HG1      THR 100  12.301  -2.192  -2.701
  783   1HG2  THR 100          1HG2      THR 100   9.599  -2.901  -4.878
  784   2HG2  THR 100          2HG2      THR 100   9.154  -1.475  -3.940
  785   3HG2  THR 100          3HG2      THR 100   9.882  -2.867  -3.138
  786    H    ASP 101           H        ASP 101  12.882  -1.305  -7.148
  787    HA   ASP 101           HA       ASP 101  15.679  -1.032  -6.389
  788   1HB   ASP 101          2HB       ASP 101  14.221  -0.238  -8.915
  789   2HB   ASP 101          1HB       ASP 101  15.959  -0.113  -8.674
  790    H    LYS 102           H        LYS 102  16.519   1.300  -7.370
  791    HA   LYS 102           HA       LYS 102  15.472   3.214  -5.490
  792   1HB   LYS 102          2HB       LYS 102  17.303   4.661  -6.248
  793   2HB   LYS 102          1HB       LYS 102  17.884   3.054  -5.844
  794   1HG   LYS 102          2HG       LYS 102  18.102   2.470  -8.150
  795   2HG   LYS 102          1HG       LYS 102  17.285   3.947  -8.657
  796   1HD   LYS 102          2HD       LYS 102  19.846   4.041  -7.092
  797   2HD   LYS 102          1HD       LYS 102  19.847   3.845  -8.844
  798   1HE   LYS 102          2HE       LYS 102  20.104   6.162  -8.440
  799   2HE   LYS 102          1HE       LYS 102  18.436   5.940  -8.960
  800   1HZ   LYS 102          1HZ       LYS 102  17.632   6.447  -6.905
  801   2HZ   LYS 102          2HZ       LYS 102  19.032   7.395  -6.882
  802   3HZ   LYS 102          3HZ       LYS 102  19.010   5.903  -6.086
  803    H    TRP 103           H        TRP 103  14.922   2.493  -8.793
  804    HA   TRP 103           HA       TRP 103  14.119   5.140  -9.588
  805   1HB   TRP 103          2HB       TRP 103  13.664   2.493 -10.983
  806   2HB   TRP 103          1HB       TRP 103  13.435   4.085 -11.694
  807    HD1  TRP 103           HD1      TRP 103  16.194   1.663 -10.609
  808    HE1  TRP 103           HE1      TRP 103  18.411   2.392 -11.691
  809    HE3  TRP 103           HE3      TRP 103  14.686   6.106 -12.653
  810    HZ2  TRP 103           HZ2      TRP 103  19.393   4.557 -13.200
  811    HZ3  TRP 103           HZ3      TRP 103  16.331   7.445 -13.901
  812    HH2  TRP 103           HH2      TRP 103  18.635   6.685 -14.168
  813    H    ASP 104           H        ASP 104  12.683   2.887  -7.648
  814    HA   ASP 104           HA       ASP 104   9.963   3.231  -8.564
  815   1HB   ASP 104          2HB       ASP 104  11.241   1.744  -6.282
  816   2HB   ASP 104          1HB       ASP 104   9.494   1.926  -6.378
  817    H    PHE 105           H        PHE 105  12.005   4.428  -5.943
  818    HA   PHE 105           HA       PHE 105   9.794   5.983  -4.836
  819   1HB   PHE 105          1HB       PHE 105  12.654   5.929  -3.861
  820   2HB   PHE 105          2HB       PHE 105  11.234   6.478  -2.982
  821    HD1  PHE 105           HD1      PHE 105  13.187   3.594  -4.038
  822    HD2  PHE 105           HD2      PHE 105   9.667   4.879  -2.019
  823    HE1  PHE 105           HE1      PHE 105  12.939   1.354  -3.050
  824    HE2  PHE 105           HE2      PHE 105   9.416   2.642  -1.030
  825    HZ   PHE 105           HZ       PHE 105  11.054   0.879  -1.539
  826    H    TYR 106           H        TYR 106  12.339   6.380  -7.048
  827    HA   TYR 106           HA       TYR 106  12.611   9.241  -6.625
  828   1HB   TYR 106          2HB       TYR 106  14.561   7.764  -7.171
  829   2HB   TYR 106          1HB       TYR 106  13.859   7.485  -8.753
  830    HD1  TYR 106           HD1      TYR 106  15.421   8.384 -10.207
  831    HD2  TYR 106           HD2      TYR 106  14.155  10.733  -6.886
  832    HE1  TYR 106           HE1      TYR 106  16.666  10.309 -11.092
  833    HE2  TYR 106           HE2      TYR 106  15.394  12.656  -7.767
  834    HH   TYR 106           HH       TYR 106  17.510  12.366 -10.549
  835    H    CYS 107           H        CYS 107  10.681  10.169  -7.181
  836    HA   CYS 107           HA       CYS 107   9.621   9.684  -9.877
  837   1HB   CYS 107          1HB       CYS 107   8.029   9.403  -8.048
  838   2HB   CYS 107          2HB       CYS 107   8.340  11.040  -7.502
  839    H    GLN 108           HN       GLN 108  10.494  10.972 -11.298
  840    HA   GLN 108           HA       GLN 108  10.367  13.862 -10.890
  841   1HB   GLN 108          2HB       GLN 108  12.866  12.352 -11.638
  842   2HB   GLN 108          1HB       GLN 108  12.656  14.054 -12.021
  843   1HG   GLN 108          2HG       GLN 108  12.494  12.937  -9.229
  844   2HG   GLN 108          1HG       GLN 108  13.968  13.576  -9.951
  845   1HE2  GLN 108          1HE2      GLN 108  14.402  15.599  -9.495
  846   2HE2  GLN 108          2HE2      GLN 108  13.263  16.821  -9.054
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1   7.474  13.802  -2.859
    2   2H    MET   1          2HT       MET   1   6.302  14.759  -3.616
    3   3H    MET   1          3HT       MET   1   7.366  15.452  -2.498
    4    HA   MET   1           HA       MET   1   8.273  14.196  -5.016
    5   1HB   MET   1          2HB       MET   1   6.694  16.079  -5.425
    6   2HB   MET   1          1HB       MET   1   7.730  17.125  -4.465
    7   1HG   MET   1          1HG       MET   1   9.545  16.802  -6.074
    8   2HG   MET   1          2HG       MET   1   8.500  15.759  -7.037
    9   1HE   MET   1          1HE       MET   1   7.544  19.272  -5.233
   10   2HE   MET   1          2HE       MET   1   8.080  20.321  -6.546
   11   3HE   MET   1          3HE       MET   1   9.240  19.283  -5.717
   12    H    GLY   2           H        GLY   2  10.333  13.674  -4.716
   13   1HA   GLY   2          2HA       GLY   2  12.577  14.823  -4.511
   14   2HA   GLY   2          1HA       GLY   2  11.985  15.377  -2.954
   15    HA   PRO   3           HA       PRO   3  14.077  11.197  -2.475
   16   1HB   PRO   3          2HB       PRO   3  16.329  12.203  -1.114
   17   2HB   PRO   3          1HB       PRO   3  16.273  11.579  -2.757
   18   1HG   PRO   3          1HG       PRO   3  16.731  14.242  -1.960
   19   2HG   PRO   3          2HG       PRO   3  16.523  13.632  -3.606
   20   1HD   PRO   3          1HD       PRO   3  14.627  15.069  -1.889
   21   2HD   PRO   3          2HD       PRO   3  14.644  14.880  -3.648
   22    H    MET   4           H        MET   4  13.169  10.178  -0.853
   23    HA   MET   4           HA       MET   4  13.422  11.222   1.872
   24   1HB   MET   4          2HB       MET   4  11.020  10.579   2.292
   25   2HB   MET   4          1HB       MET   4  11.241  11.983   1.255
   26   1HG   MET   4          1HG       MET   4  10.799  10.638  -0.711
   27   2HG   MET   4          2HG       MET   4  10.659   9.192   0.285
   28   1HE   MET   4          1HE       MET   4   7.553   9.947   2.442
   29   2HE   MET   4          2HE       MET   4   9.236   9.421   2.498
   30   3HE   MET   4          3HE       MET   4   8.071   8.545   1.503
   31    HA   PRO   5           HA       PRO   5  14.454   7.082   3.135
   32   1HB   PRO   5          2HB       PRO   5  12.284   7.228   5.173
   33   2HB   PRO   5          1HB       PRO   5  13.992   6.825   5.377
   34   1HG   PRO   5          2HG       PRO   5  13.073   9.194   6.135
   35   2HG   PRO   5          1HG       PRO   5  14.650   9.056   5.332
   36   1HD   PRO   5          1HD       PRO   5  12.028   9.979   4.222
   37   2HD   PRO   5          2HD       PRO   5  13.664  10.596   3.921
   38    H    LYS   6           H        LYS   6  13.888   5.019   2.682
   39    HA   LYS   6           HA       LYS   6  11.566   4.547   1.117
   40   1HB   LYS   6          1HB       LYS   6  13.502   2.540   2.282
   41   2HB   LYS   6          2HB       LYS   6  12.373   2.250   0.966
   42   1HG   LYS   6          2HG       LYS   6  13.566   3.931  -0.389
   43   2HG   LYS   6          1HG       LYS   6  14.727   4.129   0.923
   44   1HD   LYS   6          1HD       LYS   6  14.193   1.487  -0.424
   45   2HD   LYS   6          2HD       LYS   6  15.450   2.605  -0.952
   46   1HE   LYS   6          2HE       LYS   6  15.246   1.357   1.789
   47   2HE   LYS   6          1HE       LYS   6  16.339   0.840   0.505
   48   1HZ   LYS   6          1HZ       LYS   6  17.072   3.328   0.612
   49   2HZ   LYS   6          2HZ       LYS   6  17.695   2.203   1.710
   50   3HZ   LYS   6          3HZ       LYS   6  16.447   3.244   2.181
   51    H    LEU   7           H        LEU   7   9.694   3.509   1.571
   52    HA   LEU   7           HA       LEU   7   8.849   3.369   4.305
   53   1HB   LEU   7          2HB       LEU   7   7.377   4.028   2.380
   54   2HB   LEU   7          1HB       LEU   7   7.437   2.366   1.826
   55    HG   LEU   7           HG       LEU   7   6.384   1.691   4.020
   56   1HD1  LEU   7          1HD1      LEU   7   5.037   4.000   4.732
   57   2HD1  LEU   7          2HD1      LEU   7   6.703   4.533   4.506
   58   3HD1  LEU   7          3HD1      LEU   7   6.340   3.226   5.634
   59   1HD2  LEU   7          1HD2      LEU   7   4.658   3.599   2.478
   60   2HD2  LEU   7          2HD2      LEU   7   4.208   2.079   3.250
   61   3HD2  LEU   7          3HD2      LEU   7   5.205   2.067   1.796
   62    H    ALA   8           H        ALA   8   9.538   1.033   1.748
   63    HA   ALA   8           HA       ALA   8  10.040  -1.028   3.751
   64   1HB   ALA   8          1HB       ALA   8   8.712  -2.387   1.690
   65   2HB   ALA   8          2HB       ALA   8   7.709  -0.987   2.072
   66   3HB   ALA   8          3HB       ALA   8   8.152  -2.129   3.344
   67    H    ASP   9           H        ASP   9  10.898  -3.088   2.519
   68    HA   ASP   9           HA       ASP   9  12.812  -2.101   0.516
   69   1HB   ASP   9          1HB       ASP   9  13.679  -2.989   2.743
   70   2HB   ASP   9          2HB       ASP   9  13.166  -4.582   2.193
   71    H    ARG  10           H        ARG  10  10.794  -4.939   1.340
   72    HA   ARG  10           HA       ARG  10  10.831  -5.621  -1.528
   73   1HB   ARG  10          2HB       ARG  10  10.597  -7.612   0.716
   74   2HB   ARG  10          1HB       ARG  10  10.620  -7.978  -0.992
   75   1HG   ARG  10          2HG       ARG  10  12.778  -8.435  -0.579
   76   2HG   ARG  10          1HG       ARG  10  12.967  -6.689  -0.765
   77   1HD   ARG  10          1HD       ARG  10  12.882  -6.365   1.608
   78   2HD   ARG  10          2HD       ARG  10  12.469  -8.058   1.872
   79    HE   ARG  10           HE       ARG  10  14.918  -7.924   0.510
   80   1HH1  ARG  10          1HH1      ARG  10  13.601  -7.200   3.679
   81   2HH1  ARG  10          2HH1      ARG  10  15.107  -7.460   4.490
   82   1HH2  ARG  10          1HH2      ARG  10  16.884  -8.261   1.592
   83   2HH2  ARG  10          2HH2      ARG  10  16.965  -8.059   3.310
   84    H    LYS  11           H        LYS  11   8.992  -6.648  -2.378
   85    HA   LYS  11           HA       LYS  11   6.479  -6.271  -0.904
   86   1HB   LYS  11          2HB       LYS  11   5.493  -5.469  -3.069
   87   2HB   LYS  11          1HB       LYS  11   6.692  -4.378  -2.387
   88   1HG   LYS  11          1HG       LYS  11   8.372  -5.525  -3.924
   89   2HG   LYS  11          2HG       LYS  11   6.970  -6.215  -4.743
   90   1HD   LYS  11          2HD       LYS  11   6.133  -4.022  -5.258
   91   2HD   LYS  11          1HD       LYS  11   7.424  -3.273  -4.315
   92   1HE   LYS  11          2HE       LYS  11   9.081  -4.229  -5.853
   93   2HE   LYS  11          1HE       LYS  11   7.775  -4.936  -6.807
   94   1HZ   LYS  11          1HZ       LYS  11   6.971  -2.459  -6.858
   95   2HZ   LYS  11          2HZ       LYS  11   8.135  -3.017  -7.952
   96   3HZ   LYS  11          3HZ       LYS  11   8.609  -2.137  -6.588
   97    H    LEU  12           H        LEU  12   4.648  -7.454  -2.103
   98    HA   LEU  12           HA       LEU  12   5.672  -9.890  -3.380
   99   1HB   LEU  12          2HB       LEU  12   3.721  -9.646  -1.124
  100   2HB   LEU  12          1HB       LEU  12   3.616 -10.999  -2.230
  101    HG   LEU  12           HG       LEU  12   6.136 -11.341  -1.654
  102   1HD1  LEU  12          1HD1      LEU  12   5.235  -9.423   0.432
  103   2HD1  LEU  12          2HD1      LEU  12   6.799  -9.571  -0.371
  104   3HD1  LEU  12          3HD1      LEU  12   6.341 -10.720   0.886
  105   1HD2  LEU  12          1HD2      LEU  12   3.793 -12.472  -0.787
  106   2HD2  LEU  12          2HD2      LEU  12   4.634 -12.096   0.718
  107   3HD2  LEU  12          3HD2      LEU  12   5.418 -13.100  -0.503
  108    H    CYS  13           H        CYS  13   4.973 -10.037  -5.353
  109    HA   CYS  13           HA       CYS  13   2.323  -8.960  -6.055
  110   1HB   CYS  13          2HB       CYS  13   4.692  -9.374  -7.893
  111   2HB   CYS  13          1HB       CYS  13   3.178  -8.568  -8.288
  112    H    ALA  14           H        ALA  14   1.629 -10.084  -8.280
  113    HA   ALA  14           HA       ALA  14   1.283 -12.879  -7.647
  114   1HB   ALA  14          1HB       ALA  14   0.159 -11.022  -9.701
  115   2HB   ALA  14          2HB       ALA  14  -0.675 -11.970  -8.470
  116   3HB   ALA  14          3HB       ALA  14  -0.018 -12.766  -9.899
  117    H    ASP  15           H        ASP  15   2.878 -10.952 -10.128
  118    HA   ASP  15           HA       ASP  15   4.361 -13.348 -10.995
  119   1HB   ASP  15          2HB       ASP  15   3.310 -11.067 -12.684
  120   2HB   ASP  15          1HB       ASP  15   4.515 -12.211 -13.258
  121    H    GLN  16           H        GLN  16   6.451 -12.654 -12.183
  122    HA   GLN  16           HA       GLN  16   8.003 -11.080 -10.380
  123   1HB   GLN  16          2HB       GLN  16   8.837 -13.067 -11.675
  124   2HB   GLN  16          1HB       GLN  16   8.797 -12.075 -13.125
  125   1HG   GLN  16          2HG       GLN  16  10.441 -10.564 -12.156
  126   2HG   GLN  16          1HG       GLN  16  10.458 -11.513 -10.676
  127   1HE2  GLN  16          1HE2      GLN  16  10.159 -13.785 -13.012
  128   2HE2  GLN  16          2HE2      GLN  16  11.821 -14.117 -13.318
  129    H    GLU  17           H        GLU  17   6.092 -10.336 -13.087
  130    HA   GLU  17           HA       GLU  17   7.497  -7.886 -13.786
  131   1HB   GLU  17          2HB       GLU  17   4.912  -9.104 -14.790
  132   2HB   GLU  17          1HB       GLU  17   5.572  -7.593 -15.387
  133   1HG   GLU  17          2HG       GLU  17   7.051 -10.212 -15.513
  134   2HG   GLU  17          1HG       GLU  17   6.008  -9.621 -16.802
  135    H    CYS  18           H        CYS  18   5.032  -8.983 -11.692
  136    HA   CYS  18           HA       CYS  18   3.549  -8.015 -10.283
  137   1HB   CYS  18          1HB       CYS  18   5.773  -6.895  -9.609
  138   2HB   CYS  18          2HB       CYS  18   5.170  -5.476 -10.460
  139    H    SER  19           H        SER  19   3.101  -7.892 -13.088
  140    HA   SER  19           HA       SER  19   1.712  -5.377 -13.549
  141   1HB   SER  19          2HB       SER  19   3.179  -6.142 -15.313
  142   2HB   SER  19          1HB       SER  19   2.352  -7.686 -15.363
  143    HG   SER  19           HG       SER  19   1.785  -5.829 -16.916
  144    H    HIS  20           H        HIS  20   1.063  -8.391 -12.299
  145    HA   HIS  20           HA       HIS  20  -1.705  -8.488 -13.241
  146   1HB   HIS  20          2HB       HIS  20   0.166 -10.444 -12.016
  147   2HB   HIS  20          1HB       HIS  20  -1.539 -10.637 -11.648
  148    HD1  HIS  20           HD1      HIS  20  -0.943 -12.955 -12.950
  149    HD2  HIS  20           HD2      HIS  20  -1.249  -9.523 -15.269
  150    HE1  HIS  20           HE1      HIS  20  -1.382 -13.765 -15.277
  151    HE2  HIS  20           HE2      HIS  20  -1.432 -11.675 -16.694
  152    HA   PRO  21           HA       PRO  21  -3.085  -6.972  -9.262
  153   1HB   PRO  21          1HB       PRO  21  -5.769  -7.308  -9.651
  154   2HB   PRO  21          2HB       PRO  21  -4.825  -6.010 -10.385
  155   1HG   PRO  21          1HG       PRO  21  -6.068  -8.302 -11.655
  156   2HG   PRO  21          2HG       PRO  21  -5.329  -6.879 -12.403
  157   1HD   PRO  21          1HD       PRO  21  -4.215  -9.549 -12.009
  158   2HD   PRO  21          2HD       PRO  21  -3.620  -8.220 -13.027
  159    H    ILE  22           H        ILE  22  -2.857  -8.065  -7.418
  160    HA   ILE  22           HA       ILE  22  -3.385 -10.832  -7.155
  161    HB   ILE  22           HB       ILE  22  -2.931  -8.843  -4.922
  162   1HG1  ILE  22          2HG1      ILE  22  -0.866 -10.599  -6.265
  163   2HG1  ILE  22          1HG1      ILE  22  -1.153  -8.926  -6.745
  164   1HG2  ILE  22          1HG2      ILE  22  -1.960 -11.572  -4.563
  165   2HG2  ILE  22          2HG2      ILE  22  -3.712 -11.489  -4.761
  166   3HG2  ILE  22          3HG2      ILE  22  -2.923 -10.563  -3.484
  167   1HD1  ILE  22          1HD1      ILE  22   0.122 -10.009  -4.298
  168   2HD1  ILE  22          2HD1      ILE  22  -0.768  -8.492  -4.175
  169   3HD1  ILE  22          3HD1      ILE  22   0.578  -8.635  -5.305
  170    H    SER  23           H        SER  23  -4.857  -8.155  -5.283
  171    HA   SER  23           HA       SER  23  -7.404  -9.623  -5.369
  172   1HB   SER  23          2HB       SER  23  -7.721  -9.009  -2.938
  173   2HB   SER  23          1HB       SER  23  -6.450 -10.196  -3.247
  174    HG   SER  23           HG       SER  23  -5.143  -8.863  -2.309
  175    H    MET  24           H        MET  24  -9.194  -8.445  -5.537
  176    HA   MET  24           HA       MET  24  -8.939  -5.580  -5.987
  177   1HB   MET  24          1HB       MET  24 -10.154  -7.096  -7.581
  178   2HB   MET  24          2HB       MET  24 -11.351  -7.367  -6.324
  179   1HG   MET  24          2HG       MET  24 -10.750  -4.568  -7.088
  180   2HG   MET  24          1HG       MET  24 -11.669  -5.561  -8.213
  181   1HE   MET  24          1HE       MET  24 -13.333  -7.387  -6.777
  182   2HE   MET  24          2HE       MET  24 -14.347  -6.283  -7.705
  183   3HE   MET  24          3HE       MET  24 -14.730  -6.623  -6.017
  184    H    ALA  25           H        ALA  25  -9.087  -4.342  -4.219
  185    HA   ALA  25           HA       ALA  25 -10.962  -5.147  -2.094
  186   1HB   ALA  25          1HB       ALA  25  -9.024  -5.139  -0.933
  187   2HB   ALA  25          2HB       ALA  25  -9.372  -3.414  -0.817
  188   3HB   ALA  25          3HB       ALA  25  -8.240  -4.004  -2.033
  189    H    VAL  26           H        VAL  26 -12.318  -3.673  -1.168
  190    HA   VAL  26           HA       VAL  26 -12.842  -1.263  -2.771
  191    HB   VAL  26           HB       VAL  26 -14.552  -2.502  -0.593
  192   1HG1  VAL  26          1HG2      VAL  26 -15.219  -0.255  -0.800
  193   2HG1  VAL  26          2HG2      VAL  26 -16.360  -1.161  -1.793
  194   3HG1  VAL  26          3HG2      VAL  26 -15.039  -0.276  -2.555
  195   1HG2  VAL  26          1HG1      VAL  26 -14.041  -3.468  -3.175
  196   2HG2  VAL  26          2HG1      VAL  26 -15.639  -2.724  -3.243
  197   3HG2  VAL  26          3HG1      VAL  26 -15.304  -3.990  -2.062
  198    H    ALA  27           H        ALA  27 -12.841   0.820  -1.927
  199    HA   ALA  27           HA       ALA  27 -11.292   1.212   0.498
  200   1HB   ALA  27          1HB       ALA  27 -10.901   2.521  -1.601
  201   2HB   ALA  27          2HB       ALA  27 -11.105   3.491  -0.141
  202   3HB   ALA  27          3HB       ALA  27 -12.433   3.343  -1.297
  203    H    LEU  28           H        LEU  28 -12.023   1.823   2.408
  204    HA   LEU  28           HA       LEU  28 -14.886   2.066   2.806
  205   1HB   LEU  28          2HB       LEU  28 -12.565   1.613   4.658
  206   2HB   LEU  28          1HB       LEU  28 -14.146   2.031   5.278
  207    HG   LEU  28           HG       LEU  28 -13.823  -0.346   5.450
  208   1HD1  LEU  28          1HD1      LEU  28 -15.882  -0.959   4.767
  209   2HD1  LEU  28          2HD1      LEU  28 -15.646  -0.344   3.131
  210   3HD1  LEU  28          3HD1      LEU  28 -16.037   0.768   4.443
  211   1HD2  LEU  28          1HD2      LEU  28 -12.373  -0.126   3.107
  212   2HD2  LEU  28          2HD2      LEU  28 -13.792  -1.073   2.659
  213   3HD2  LEU  28          3HD2      LEU  28 -12.756  -1.607   3.983
  214    H    GLN  29           H        GLN  29 -12.377   4.275   2.352
  215    HA   GLN  29           HA       GLN  29 -14.049   6.457   3.141
  216   1HB   GLN  29          1HB       GLN  29 -12.518   7.421   4.861
  217   2HB   GLN  29          2HB       GLN  29 -13.285   5.926   5.373
  218   1HG   GLN  29          2HG       GLN  29 -11.237   4.691   4.900
  219   2HG   GLN  29          1HG       GLN  29 -10.466   6.168   4.335
  220   1HE2  GLN  29          1HE2      GLN  29 -12.313   7.188   6.852
  221   2HE2  GLN  29          2HE2      GLN  29 -11.173   7.022   8.133
  222    H    ASP  30           H        ASP  30 -12.483   8.560   3.323
  223    HA   ASP  30           HA       ASP  30 -11.242   8.737   0.702
  224   1HB   ASP  30          2HB       ASP  30 -11.853  10.850   2.780
  225   2HB   ASP  30          1HB       ASP  30 -11.182  11.177   1.187
  226    H    TYR  31           H        TYR  31  -9.173   9.488   0.312
  227    HA   TYR  31           HA       TYR  31  -7.303   9.922   2.476
  228   1HB   TYR  31          2HB       TYR  31  -7.427   7.372   1.917
  229   2HB   TYR  31          1HB       TYR  31  -6.569   7.821   0.450
  230    HD1  TYR  31           HD1      TYR  31  -4.235   8.146   0.467
  231    HD2  TYR  31           HD2      TYR  31  -6.343   7.943   4.160
  232    HE1  TYR  31           HE1      TYR  31  -2.095   8.078   1.678
  233    HE2  TYR  31           HE2      TYR  31  -4.211   7.873   5.379
  234    HH   TYR  31           HH       TYR  31  -1.645   8.798   4.654
  235    H    MET  32           H        MET  32  -5.703  11.326   1.866
  236    HA   MET  32           HA       MET  32  -5.569  12.044  -0.977
  237   1HB   MET  32          2HB       MET  32  -6.449  13.846   0.403
  238   2HB   MET  32          1HB       MET  32  -5.088  13.706   1.503
  239   1HG   MET  32          1HG       MET  32  -4.841  15.620   0.077
  240   2HG   MET  32          2HG       MET  32  -3.589  14.427  -0.230
  241   1HE   MET  32          1HE       MET  32  -4.455  16.918  -2.487
  242   2HE   MET  32          2HE       MET  32  -3.862  15.843  -3.754
  243   3HE   MET  32          3HE       MET  32  -3.044  15.901  -2.192
  244    H    ALA  33           H        ALA  33  -3.571  12.113  -1.969
  245    HA   ALA  33           HA       ALA  33  -1.389  10.827  -0.529
  246   1HB   ALA  33          1HB       ALA  33  -1.907  11.380  -3.425
  247   2HB   ALA  33          2HB       ALA  33  -1.756   9.828  -2.602
  248   3HB   ALA  33          3HB       ALA  33  -0.332  10.836  -2.852
  249    HA   PRO  34           HA       PRO  34   0.427  14.980  -0.107
  250   1HB   PRO  34          2HB       PRO  34   2.251  13.845   1.814
  251   2HB   PRO  34          1HB       PRO  34   0.941  14.991   2.087
  252   1HG   PRO  34          2HG       PRO  34   0.927  12.426   2.994
  253   2HG   PRO  34          1HG       PRO  34  -0.545  13.351   2.646
  254   1HD   PRO  34          2HD       PRO  34   0.830  11.264   0.995
  255   2HD   PRO  34          1HD       PRO  34  -0.903  11.535   1.263
  256    H    ASP  35           H        ASP  35   2.361  11.999  -0.090
  257    HA   ASP  35           HA       ASP  35   4.594  13.352  -1.360
  258   1HB   ASP  35          2HB       ASP  35   5.597  12.014   0.130
  259   2HB   ASP  35          1HB       ASP  35   4.195  10.968   0.283
  260    H    CYS  36           H        CYS  36   5.662  12.452  -3.215
  261    HA   CYS  36           HA       CYS  36   3.995  12.185  -5.429
  262   1HB   CYS  36          1HB       CYS  36   6.016  11.730  -6.709
  263   2HB   CYS  36          2HB       CYS  36   6.290  13.026  -5.552
  264    H    ARG  37           H        ARG  37   5.628   9.597  -3.583
  265    HA   ARG  37           HA       ARG  37   4.583   7.672  -5.489
  266   1HB   ARG  37          2HB       ARG  37   5.861   5.961  -4.138
  267   2HB   ARG  37          1HB       ARG  37   6.805   7.170  -4.986
  268   1HG   ARG  37          1HG       ARG  37   7.920   7.244  -3.045
  269   2HG   ARG  37          2HG       ARG  37   6.629   8.355  -2.592
  270   1HD   ARG  37          2HD       ARG  37   5.433   6.610  -1.463
  271   2HD   ARG  37          1HD       ARG  37   6.560   5.395  -2.062
  272    HE   ARG  37           HE       ARG  37   8.103   7.168  -0.653
  273   1HH1  ARG  37          1HH1      ARG  37   5.301   5.209   0.109
  274   2HH1  ARG  37          2HH1      ARG  37   5.791   4.939   1.746
  275   1HH2  ARG  37          1HH2      ARG  37   8.737   6.793   1.498
  276   2HH2  ARG  37          2HH2      ARG  37   7.734   5.832   2.533
  277    H    PHE  38           H        PHE  38   2.906   9.167  -3.390
  278    HA   PHE  38           HA       PHE  38   1.685   6.809  -2.120
  279   1HB   PHE  38          2HB       PHE  38   1.911   9.615  -1.358
  280   2HB   PHE  38          1HB       PHE  38   0.250   9.046  -1.277
  281    HD1  PHE  38           HD1      PHE  38  -0.426   8.341   0.779
  282    HD2  PHE  38           HD2      PHE  38   3.635   7.720  -0.334
  283    HE1  PHE  38           HE1      PHE  38   0.019   7.321   2.972
  284    HE2  PHE  38           HE2      PHE  38   4.082   6.696   1.855
  285    HZ   PHE  38           HZ       PHE  38   2.274   6.495   3.513
  286    H    LEU  39           H        LEU  39  -0.834   6.881  -2.121
  287    HA   LEU  39           HA       LEU  39  -1.744   7.774  -4.786
  288   1HB   LEU  39          1HB       LEU  39  -1.373   5.339  -4.680
  289   2HB   LEU  39          2HB       LEU  39  -2.510   5.228  -3.356
  290    HG   LEU  39           HG       LEU  39  -4.337   5.912  -4.850
  291   1HD1  LEU  39          1HD2      LEU  39  -2.185   6.705  -6.565
  292   2HD1  LEU  39          2HD2      LEU  39  -3.915   7.004  -6.735
  293   3HD1  LEU  39          3HD2      LEU  39  -3.207   5.531  -7.396
  294   1HD2  LEU  39          1HD1      LEU  39  -4.634   3.772  -5.360
  295   2HD2  LEU  39          2HD1      LEU  39  -2.978   3.482  -4.827
  296   3HD2  LEU  39          3HD1      LEU  39  -3.314   3.807  -6.529
  297    H    THR  40           H        THR  40  -3.602   8.861  -4.940
  298    HA   THR  40           HA       THR  40  -5.055   9.518  -2.494
  299    HB   THR  40           HB       THR  40  -5.441  10.621  -5.293
  300    HG1  THR  40           HG1      THR  40  -3.732  11.749  -4.944
  301   1HG2  THR  40          1HG2      THR  40  -7.124  10.958  -3.200
  302   2HG2  THR  40          2HG2      THR  40  -6.887  12.131  -4.494
  303   3HG2  THR  40          3HG2      THR  40  -6.017  12.313  -2.968
  304    H    ILE  41           H        ILE  41  -6.786   8.386  -1.931
  305    HA   ILE  41           HA       ILE  41  -8.409   7.086  -4.033
  306    HB   ILE  41           HB       ILE  41  -7.933   6.050  -1.219
  307   1HG1  ILE  41          1HG1      ILE  41  -6.792   5.015  -3.832
  308   2HG1  ILE  41          2HG1      ILE  41  -5.895   5.998  -2.683
  309   1HG2  ILE  41          1HG2      ILE  41 -10.084   5.374  -2.188
  310   2HG2  ILE  41          2HG2      ILE  41  -8.993   3.999  -2.029
  311   3HG2  ILE  41          3HG2      ILE  41  -9.249   4.741  -3.607
  312   1HD1  ILE  41          1HD1      ILE  41  -6.373   4.164  -0.989
  313   2HD1  ILE  41          2HD1      ILE  41  -5.217   3.809  -2.276
  314   3HD1  ILE  41          3HD1      ILE  41  -6.865   3.185  -2.373
  315    H    HIS  42           H        HIS  42 -10.699   6.922  -3.620
  316    HA   HIS  42           HA       HIS  42 -11.678   8.821  -1.592
  317   1HB   HIS  42          2HB       HIS  42 -12.746   8.292  -4.365
  318   2HB   HIS  42          1HB       HIS  42 -13.649   9.171  -3.137
  319    HD1  HIS  42           HD1      HIS  42 -10.132   9.445  -4.606
  320    HD2  HIS  42           HD2      HIS  42 -13.349  11.822  -3.476
  321    HE1  HIS  42           HE1      HIS  42  -9.440  11.806  -5.125
  322    HE2  HIS  42           HE2      HIS  42 -11.396  13.230  -4.420
  323    H    ARG  43           H        ARG  43 -13.767   8.404  -0.713
  324    HA   ARG  43           HA       ARG  43 -14.128   5.766   0.182
  325   1HB   ARG  43          2HB       ARG  43 -14.825   7.417   1.667
  326   2HB   ARG  43          1HB       ARG  43 -15.630   8.349   0.423
  327   1HG   ARG  43          1HG       ARG  43 -17.281   7.497   1.889
  328   2HG   ARG  43          2HG       ARG  43 -17.400   6.613   0.382
  329   1HD   ARG  43          2HD       ARG  43 -16.284   4.711   1.334
  330   2HD   ARG  43          1HD       ARG  43 -16.013   5.595   2.837
  331    HE   ARG  43           HE       ARG  43 -18.729   5.656   2.409
  332   1HH1  ARG  43          1HH1      ARG  43 -16.348   3.127   2.849
  333   2HH1  ARG  43          2HH1      ARG  43 -17.464   2.049   3.614
  334   1HH2  ARG  43          1HH2      ARG  43 -20.180   4.231   3.409
  335   2HH2  ARG  43          2HH2      ARG  43 -19.633   2.672   3.930
  336    H    GLY  44           H        GLY  44 -15.005   4.082  -0.811
  337   1HA   GLY  44          2HA       GLY  44 -16.806   2.948  -1.835
  338   2HA   GLY  44          1HA       GLY  44 -17.364   4.472  -2.499
  339    H    GLN  45           H        GLN  45 -14.086   4.336  -3.103
  340    HA   GLN  45           HA       GLN  45 -14.597   3.636  -5.873
  341   1HB   GLN  45          1HB       GLN  45 -12.189   4.748  -4.455
  342   2HB   GLN  45          2HB       GLN  45 -12.117   4.217  -6.129
  343   1HG   GLN  45          1HG       GLN  45 -14.061   5.804  -6.544
  344   2HG   GLN  45          2HG       GLN  45 -13.699   6.475  -4.954
  345   1HE2  GLN  45          1HE2      GLN  45 -13.255   7.002  -8.096
  346   2HE2  GLN  45          2HE2      GLN  45 -11.732   7.818  -8.077
  347    H    VAL  46           H        VAL  46 -13.270   2.190  -7.081
  348    HA   VAL  46           HA       VAL  46 -12.684  -0.275  -5.615
  349    HB   VAL  46           HB       VAL  46 -12.625   0.117  -8.612
  350   1HG1  VAL  46          1HG1      VAL  46 -12.887  -2.303  -6.845
  351   2HG1  VAL  46          2HG1      VAL  46 -11.578  -1.911  -7.960
  352   3HG1  VAL  46          3HG1      VAL  46 -13.174  -2.327  -8.586
  353   1HG2  VAL  46          1HG2      VAL  46 -15.015  -1.194  -7.675
  354   2HG2  VAL  46          2HG2      VAL  46 -14.838   0.186  -8.760
  355   3HG2  VAL  46          3HG2      VAL  46 -14.887   0.437  -7.013
  356    H    VAL  47           H        VAL  47 -10.636  -0.880  -5.172
  357    HA   VAL  47           HA       VAL  47  -8.456   0.358  -6.722
  358    HB   VAL  47           HB       VAL  47  -8.258  -0.318  -3.784
  359   1HG1  VAL  47          1HG1      VAL  47  -6.193   0.873  -3.818
  360   2HG1  VAL  47          2HG1      VAL  47  -6.475   1.436  -5.466
  361   3HG1  VAL  47          3HG1      VAL  47  -6.161  -0.272  -5.158
  362   1HG2  VAL  47          1HG2      VAL  47  -9.892   1.494  -4.147
  363   2HG2  VAL  47          2HG2      VAL  47  -8.656   2.408  -5.011
  364   3HG2  VAL  47          3HG2      VAL  47  -8.448   2.045  -3.299
  365    H    TYR  48           H        TYR  48  -7.187  -1.026  -7.715
  366    HA   TYR  48           HA       TYR  48  -7.290  -3.863  -7.029
  367   1HB   TYR  48          2HB       TYR  48  -6.225  -2.348  -9.415
  368   2HB   TYR  48          1HB       TYR  48  -5.845  -4.040  -9.159
  369    HD1  TYR  48           HD1      TYR  48  -6.913  -5.197 -10.833
  370    HD2  TYR  48           HD2      TYR  48  -9.119  -2.219  -8.738
  371    HE1  TYR  48           HE1      TYR  48  -8.946  -5.852 -12.046
  372    HE2  TYR  48           HE2      TYR  48 -11.154  -2.874  -9.945
  373    HH   TYR  48           HH       TYR  48 -12.072  -4.675 -11.169
  374    H    VAL  49           H        VAL  49  -5.779  -4.734  -5.764
  375    HA   VAL  49           HA       VAL  49  -3.360  -3.246  -5.138
  376    HB   VAL  49           HB       VAL  49  -4.239  -5.929  -4.043
  377   1HG1  VAL  49          1HG1      VAL  49  -2.771  -4.693  -2.100
  378   2HG1  VAL  49          2HG1      VAL  49  -1.937  -4.185  -3.568
  379   3HG1  VAL  49          3HG1      VAL  49  -2.151  -5.901  -3.225
  380   1HG2  VAL  49          1HG2      VAL  49  -4.553  -3.370  -2.537
  381   2HG2  VAL  49          2HG2      VAL  49  -5.413  -4.898  -2.349
  382   3HG2  VAL  49          3HG2      VAL  49  -5.779  -3.843  -3.715
  383    H    PHE  50           H        PHE  50  -1.463  -3.585  -6.097
  384    HA   PHE  50           HA       PHE  50  -1.141  -5.978  -7.765
  385   1HB   PHE  50          2HB       PHE  50   0.160  -3.261  -7.855
  386   2HB   PHE  50          1HB       PHE  50   0.808  -4.631  -8.747
  387    HD1  PHE  50           HD1      PHE  50  -2.278  -2.580  -8.344
  388    HD2  PHE  50           HD2      PHE  50   0.004  -5.154 -10.853
  389    HE1  PHE  50           HE1      PHE  50  -3.802  -2.105 -10.216
  390    HE2  PHE  50           HE2      PHE  50  -1.518  -4.681 -12.726
  391    HZ   PHE  50           HZ       PHE  50  -3.423  -3.155 -12.409
  392    H    SER  51           H        SER  51   0.301  -4.235  -5.079
  393    HA   SER  51           HA       SER  51   2.046  -6.532  -4.587
  394   1HB   SER  51          2HB       SER  51   3.979  -5.045  -4.130
  395   2HB   SER  51          1HB       SER  51   3.473  -4.998  -5.818
  396    HG   SER  51           HG       SER  51   2.340  -3.055  -5.319
  397    H    LYS  52           H        LYS  52   2.715  -6.811  -2.460
  398    HA   LYS  52           HA       LYS  52   1.463  -5.048  -0.454
  399   1HB   LYS  52          1HB       LYS  52   1.778  -8.037  -0.126
  400   2HB   LYS  52          2HB       LYS  52   0.941  -6.936   0.943
  401   1HG   LYS  52          1HG       LYS  52  -0.735  -6.526  -0.799
  402   2HG   LYS  52          2HG       LYS  52   0.095  -7.679  -1.847
  403   1HD   LYS  52          1HD       LYS  52  -0.281  -9.441  -0.164
  404   2HD   LYS  52          2HD       LYS  52  -1.163  -8.280   0.830
  405   1HE   LYS  52          2HE       LYS  52  -2.805  -7.987  -0.950
  406   2HE   LYS  52          1HE       LYS  52  -1.918  -9.129  -1.965
  407   1HZ   LYS  52          1HZ       LYS  52  -3.723 -10.275  -0.955
  408   2HZ   LYS  52          2HZ       LYS  52  -3.315  -9.714   0.587
  409   3HZ   LYS  52          3HZ       LYS  52  -2.306 -10.816  -0.204
  410    H    LEU  53           H        LEU  53   3.037  -4.034   0.634
  411    HA   LEU  53           HA       LEU  53   5.746  -4.957   0.614
  412   1HB   LEU  53          1HB       LEU  53   4.505  -2.797   2.324
  413   2HB   LEU  53          2HB       LEU  53   6.216  -3.014   1.996
  414    HG   LEU  53           HG       LEU  53   4.203  -2.394  -0.165
  415   1HD1  LEU  53          1HD2      LEU  53   5.994  -0.253   0.728
  416   2HD1  LEU  53          2HD2      LEU  53   4.734  -0.698   1.881
  417   3HD1  LEU  53          3HD2      LEU  53   4.298  -0.194   0.247
  418   1HD2  LEU  53          1HD1      LEU  53   5.929  -2.814  -1.498
  419   2HD2  LEU  53          2HD1      LEU  53   7.023  -2.993  -0.125
  420   3HD2  LEU  53          3HD1      LEU  53   6.720  -1.396  -0.809
  421    H    LYS  54           H        LYS  54   7.038  -5.633   2.394
  422    HA   LYS  54           HA       LYS  54   5.531  -6.527   4.769
  423   1HB   LYS  54          2HB       LYS  54   7.253  -8.184   2.984
  424   2HB   LYS  54          1HB       LYS  54   7.224  -8.539   4.700
  425   1HG   LYS  54          2HG       LYS  54   4.726  -8.681   4.533
  426   2HG   LYS  54          1HG       LYS  54   4.915  -8.583   2.782
  427   1HD   LYS  54          1HD       LYS  54   4.723 -10.893   3.417
  428   2HD   LYS  54          2HD       LYS  54   6.369 -10.593   2.872
  429   1HE   LYS  54          1HE       LYS  54   7.107 -10.436   5.199
  430   2HE   LYS  54          2HE       LYS  54   5.457 -10.739   5.745
  431   1HZ   LYS  54          1HZ       LYS  54   7.407 -12.616   5.189
  432   2HZ   LYS  54          2HZ       LYS  54   6.281 -12.753   3.935
  433   3HZ   LYS  54          3HZ       LYS  54   5.778 -12.908   5.542
  434    H    GLY  55           H        GLY  55   8.736  -5.840   3.418
  435   1HA   GLY  55          1HA       GLY  55  10.200  -5.977   5.815
  436   2HA   GLY  55          2HA       GLY  55  10.672  -5.072   4.387
  437    H    ARG  56           H        ARG  56   9.437  -4.926   7.567
  438    HA   ARG  56           HA       ARG  56   8.952  -3.277   9.030
  439   1HB   ARG  56          1HB       ARG  56  10.591  -1.625   7.108
  440   2HB   ARG  56          2HB       ARG  56  10.099  -1.095   8.712
  441   1HG   ARG  56          2HG       ARG  56  11.375  -2.864   9.737
  442   2HG   ARG  56          1HG       ARG  56  11.787  -3.525   8.153
  443   1HD   ARG  56          2HD       ARG  56  12.986  -1.479   7.604
  444   2HD   ARG  56          1HD       ARG  56  12.557  -0.795   9.169
  445    HE   ARG  56           HE       ARG  56  14.286  -1.958  10.093
  446   1HH1  ARG  56          1HH1      ARG  56  13.555  -3.467   7.006
  447   2HH1  ARG  56          2HH1      ARG  56  14.872  -4.586   7.114
  448   1HH2  ARG  56          1HH2      ARG  56  16.004  -3.430  10.208
  449   2HH2  ARG  56          2HH2      ARG  56  16.257  -4.565   8.923
  450    H    GLY  57           H        GLY  57   7.217  -3.671   6.548
  451   1HA   GLY  57          1HA       GLY  57   5.357  -1.555   7.165
  452   2HA   GLY  57          2HA       GLY  57   6.027  -1.448   5.544
  453    H    ARG  58           H        ARG  58   4.996  -4.197   7.551
  454    HA   ARG  58           HA       ARG  58   3.825  -5.575   5.370
  455   1HB   ARG  58          1HB       ARG  58   2.984  -7.145   7.087
  456   2HB   ARG  58          2HB       ARG  58   4.699  -6.817   7.223
  457   1HG   ARG  58          1HG       ARG  58   4.288  -5.287   9.058
  458   2HG   ARG  58          2HG       ARG  58   2.562  -5.603   8.917
  459   1HD   ARG  58          2HD       ARG  58   2.923  -7.945   9.415
  460   2HD   ARG  58          1HD       ARG  58   4.662  -7.666   9.507
  461    HE   ARG  58           HE       ARG  58   3.393  -5.955  11.322
  462   1HH1  ARG  58          1HH1      ARG  58   3.979  -9.389  10.907
  463   2HH1  ARG  58          2HH1      ARG  58   3.944  -9.716  12.605
  464   1HH2  ARG  58          1HH2      ARG  58   3.350  -6.406  13.547
  465   2HH2  ARG  58          2HH2      ARG  58   3.588  -8.031  14.099
  466    H    LEU  59           H        LEU  59   2.612  -3.154   7.476
  467    HA   LEU  59           HA       LEU  59  -0.175  -3.816   6.915
  468   1HB   LEU  59          2HB       LEU  59   1.033  -1.596   8.574
  469   2HB   LEU  59          1HB       LEU  59  -0.683  -1.910   8.415
  470    HG   LEU  59           HG       LEU  59   1.262  -3.904   9.577
  471   1HD1  LEU  59          1HD2      LEU  59   0.257  -3.196  11.770
  472   2HD1  LEU  59          2HD2      LEU  59  -0.390  -1.787  10.930
  473   3HD1  LEU  59          3HD2      LEU  59   1.353  -2.033  11.024
  474   1HD2  LEU  59          1HD1      LEU  59  -1.242  -4.343  10.632
  475   2HD2  LEU  59          2HD1      LEU  59  -0.491  -5.264   9.329
  476   3HD2  LEU  59          3HD1      LEU  59  -1.581  -3.929   8.951
  477    H    PHE  60           H        PHE  60   2.044  -2.625   5.052
  478    HA   PHE  60           HA       PHE  60   0.346  -0.481   3.955
  479   1HB   PHE  60          2HB       PHE  60   3.365  -0.652   3.972
  480   2HB   PHE  60          1HB       PHE  60   2.460   0.502   3.001
  481    HD1  PHE  60           HD1      PHE  60   1.545   2.468   3.958
  482    HD2  PHE  60           HD2      PHE  60   3.318  -0.490   6.456
  483    HE1  PHE  60           HE1      PHE  60   1.530   4.051   5.840
  484    HE2  PHE  60           HE2      PHE  60   3.298   1.088   8.343
  485    HZ   PHE  60           HZ       PHE  60   2.405   3.362   8.036
  486    H    TRP  61           H        TRP  61  -0.413  -0.808   2.007
  487    HA   TRP  61           HA       TRP  61   0.830  -2.874   0.317
  488   1HB   TRP  61          2HB       TRP  61  -2.061  -2.037   0.610
  489   2HB   TRP  61          1HB       TRP  61  -1.490  -3.035  -0.717
  490    HD1  TRP  61           HD1      TRP  61   0.521  -4.525   1.736
  491    HE1  TRP  61           HE1      TRP  61  -0.609  -6.471   2.964
  492    HE3  TRP  61           HE3      TRP  61  -4.360  -3.528   0.542
  493    HZ2  TRP  61           HZ2      TRP  61  -3.210  -7.451   3.397
  494    HZ3  TRP  61           HZ3      TRP  61  -6.104  -5.027   1.415
  495    HH2  TRP  61           HH2      TRP  61  -5.540  -6.944   2.814
  496    H    GLY  62           H        GLY  62  -0.190  -2.443  -2.100
  497   1HA   GLY  62          2HA       GLY  62  -0.151   0.363  -2.824
  498   2HA   GLY  62          1HA       GLY  62   1.312  -0.541  -3.313
  499    H    GLY  63           H        GLY  63  -0.726   0.767  -4.962
  500   1HA   GLY  63          1HA       GLY  63  -0.933  -1.072  -7.040
  501   2HA   GLY  63          2HA       GLY  63  -2.448  -1.134  -6.153
  502    H    SER  64           H        SER  64  -3.634  -0.322  -7.886
  503    HA   SER  64           HA       SER  64  -3.427   2.580  -8.225
  504   1HB   SER  64          2HB       SER  64  -2.268   1.596 -10.165
  505   2HB   SER  64          1HB       SER  64  -3.705   0.642 -10.537
  506    HG   SER  64           HG       SER  64  -3.520   3.474 -10.521
  507    H    VAL  65           H        VAL  65  -5.373   3.622  -8.619
  508    HA   VAL  65           HA       VAL  65  -7.741   2.138  -7.846
  509    HB   VAL  65           HB       VAL  65  -7.395   5.084  -8.463
  510   1HG1  VAL  65          1HG2      VAL  65  -9.761   3.472  -7.631
  511   2HG1  VAL  65          2HG2      VAL  65  -9.665   4.844  -8.739
  512   3HG1  VAL  65          3HG2      VAL  65  -9.581   5.107  -6.994
  513   1HG2  VAL  65          1HG1      VAL  65  -7.790   5.139  -5.885
  514   2HG2  VAL  65          2HG1      VAL  65  -6.184   4.799  -6.530
  515   3HG2  VAL  65          3HG1      VAL  65  -7.204   3.478  -5.958
  516    H    GLN  66           H        GLN  66  -9.241   1.375  -9.187
  517    HA   GLN  66           HA       GLN  66  -8.969   1.700 -12.020
  518   1HB   GLN  66          2HB       GLN  66  -9.722  -0.439 -11.105
  519   2HB   GLN  66          1HB       GLN  66 -11.126   0.332 -10.386
  520   1HG   GLN  66          2HG       GLN  66 -11.993   0.858 -12.592
  521   2HG   GLN  66          1HG       GLN  66 -10.566   0.138 -13.339
  522   1HE2  GLN  66          1HE2      GLN  66 -10.947  -1.784 -14.141
  523   2HE2  GLN  66          2HE2      GLN  66 -12.030  -2.969 -13.504
  524    H    GLY  67           H        GLY  67 -11.978   2.107 -10.136
  525   1HA   GLY  67          1HA       GLY  67 -13.794   3.493 -10.591
  526   2HA   GLY  67          2HA       GLY  67 -12.593   4.683 -10.122
  527    H    ASP  68           H        ASP  68 -14.009   3.002 -12.892
  528    HA   ASP  68           HA       ASP  68 -14.452   3.638 -15.023
  529   1HB   ASP  68          2HB       ASP  68 -13.822   6.402 -13.963
  530   2HB   ASP  68          1HB       ASP  68 -14.397   6.095 -15.599
  531    H    TYR  69           H        TYR  69 -12.859   2.487 -15.978
  532    HA   TYR  69           HA       TYR  69 -10.154   3.435 -16.121
  533   1HB   TYR  69          2HB       TYR  69 -10.743   1.021 -15.895
  534   2HB   TYR  69          1HB       TYR  69 -11.431   1.068 -17.512
  535    HD1  TYR  69           HD1      TYR  69  -8.195   2.075 -15.881
  536    HD2  TYR  69           HD2      TYR  69 -10.119   0.146 -19.152
  537    HE1  TYR  69           HE1      TYR  69  -6.002   1.517 -16.837
  538    HE2  TYR  69           HE2      TYR  69  -7.930  -0.416 -20.113
  539    HH   TYR  69           HH       TYR  69  -5.361   0.865 -19.721
  540    H    TYR  70           H        TYR  70 -10.144   5.305 -17.262
  541    HA   TYR  70           HA       TYR  70 -10.990   5.183 -20.077
  542   1HB   TYR  70          2HB       TYR  70 -10.802   7.475 -18.144
  543   2HB   TYR  70          1HB       TYR  70 -10.722   7.771 -19.876
  544    HD1  TYR  70           HD1      TYR  70 -12.893   5.930 -17.421
  545    HD2  TYR  70           HD2      TYR  70 -12.674   8.275 -20.966
  546    HE1  TYR  70           HE1      TYR  70 -15.349   5.950 -17.555
  547    HE2  TYR  70           HE2      TYR  70 -15.128   8.300 -21.106
  548    HH   TYR  70           HH       TYR  70 -17.110   6.332 -19.034
  549    H    GLY  71           H        GLY  71  -8.316   5.148 -18.060
  550   1HA   GLY  71          1HA       GLY  71  -6.104   4.804 -18.761
  551   2HA   GLY  71          2HA       GLY  71  -6.522   5.463 -20.334
  552    H    ASP  72           H        ASP  72  -6.869   6.835 -17.064
  553    HA   ASP  72           HA       ASP  72  -4.822   8.816 -17.633
  554   1HB   ASP  72          1HB       ASP  72  -6.366  10.687 -17.044
  555   2HB   ASP  72          2HB       ASP  72  -6.761   9.892 -18.559
  556    H    LEU  73           H        LEU  73  -5.819   6.602 -15.615
  557    HA   LEU  73           HA       LEU  73  -4.892   8.060 -13.255
  558   1HB   LEU  73          1HB       LEU  73  -6.679   6.534 -12.018
  559   2HB   LEU  73          2HB       LEU  73  -7.051   8.142 -12.601
  560    HG   LEU  73           HG       LEU  73  -7.967   7.035 -14.702
  561   1HD1  LEU  73          1HD2      LEU  73  -7.739   4.850 -14.984
  562   2HD1  LEU  73          2HD2      LEU  73  -8.686   4.564 -13.524
  563   3HD1  LEU  73          3HD2      LEU  73  -6.932   4.717 -13.420
  564   1HD2  LEU  73          1HD1      LEU  73  -9.228   7.866 -12.596
  565   2HD2  LEU  73          2HD1      LEU  73  -9.487   6.148 -12.289
  566   3HD2  LEU  73          3HD1      LEU  73 -10.076   6.876 -13.784
  567    H    ALA  74           H        ALA  74  -4.969   5.163 -15.095
  568    HA   ALA  74           HA       ALA  74  -3.538   3.692 -12.992
  569   1HB   ALA  74          1HB       ALA  74  -5.573   2.735 -14.304
  570   2HB   ALA  74          2HB       ALA  74  -4.175   1.704 -13.986
  571   3HB   ALA  74          3HB       ALA  74  -4.384   2.442 -15.574
  572    H    ALA  75           H        ALA  75  -2.262   5.829 -14.311
  573    HA   ALA  75           HA       ALA  75  -0.387   4.616 -16.197
  574   1HB   ALA  75          1HB       ALA  75   0.258   6.795 -16.786
  575   2HB   ALA  75          2HB       ALA  75  -0.399   7.480 -15.298
  576   3HB   ALA  75          3HB       ALA  75  -1.488   6.886 -16.553
  577    H    ARG  76           H        ARG  76  -0.645   5.310 -12.885
  578    HA   ARG  76           HA       ARG  76   2.185   4.715 -12.510
  579   1HB   ARG  76          1HB       ARG  76   2.556   6.506 -10.943
  580   2HB   ARG  76          2HB       ARG  76   1.978   7.190 -12.450
  581   1HG   ARG  76          2HG       ARG  76   0.131   6.681 -10.141
  582   2HG   ARG  76          1HG       ARG  76   1.073   8.161 -10.276
  583   1HD   ARG  76          2HD       ARG  76   0.024   8.512 -12.527
  584   2HD   ARG  76          1HD       ARG  76  -1.024   7.139 -12.182
  585    HE   ARG  76           HE       ARG  76  -1.305   9.795 -11.195
  586   1HH1  ARG  76          1HH1      ARG  76  -1.937   6.440 -10.368
  587   2HH1  ARG  76          2HH1      ARG  76  -3.204   6.836  -9.258
  588   1HH2  ARG  76          1HH2      ARG  76  -2.968  10.287  -9.737
  589   2HH2  ARG  76          2HH2      ARG  76  -3.788   9.009  -8.900
  590    H    LEU  77           H        LEU  77   2.705   4.172 -10.238
  591    HA   LEU  77           HA       LEU  77   0.409   2.900  -8.899
  592   1HB   LEU  77          1HB       LEU  77   3.251   1.930  -9.188
  593   2HB   LEU  77          2HB       LEU  77   2.098   1.213  -8.079
  594    HG   LEU  77           HG       LEU  77   1.547   1.389 -11.038
  595   1HD1  LEU  77          1HD1      LEU  77   2.835  -0.372 -11.512
  596   2HD1  LEU  77          2HD1      LEU  77   2.401  -1.207 -10.021
  597   3HD1  LEU  77          3HD1      LEU  77   3.679   0.008 -10.011
  598   1HD2  LEU  77          1HD2      LEU  77   0.238  -0.743 -10.310
  599   2HD2  LEU  77          2HD2      LEU  77  -0.433   0.855  -9.980
  600   3HD2  LEU  77          3HD2      LEU  77   0.374  -0.046  -8.694
  601    H    GLY  78           H        GLY  78   0.035   3.457  -6.863
  602   1HA   GLY  78          1HA       GLY  78   2.192   4.818  -5.359
  603   2HA   GLY  78          2HA       GLY  78   0.523   5.371  -5.319
  604    H    TYR  79           H        TYR  79   1.673   4.890  -2.938
  605    HA   TYR  79           HA       TYR  79   0.764   2.206  -2.151
  606   1HB   TYR  79          2HB       TYR  79   2.569   4.100  -0.630
  607   2HB   TYR  79          1HB       TYR  79   2.134   2.465  -0.138
  608    HD1  TYR  79           HD1      TYR  79   4.848   4.054  -0.959
  609    HD2  TYR  79           HD2      TYR  79   2.497   0.952  -2.678
  610    HE1  TYR  79           HE1      TYR  79   6.831   3.216  -2.134
  611    HE2  TYR  79           HE2      TYR  79   4.473   0.103  -3.867
  612    HH   TYR  79           HH       TYR  79   6.681   1.027  -4.667
  613    H    PHE  80           H        PHE  80  -0.415   1.939  -0.197
  614    HA   PHE  80           HA       PHE  80  -1.672   4.233   1.035
  615   1HB   PHE  80          2HB       PHE  80  -3.989   3.373   0.554
  616   2HB   PHE  80          1HB       PHE  80  -3.142   3.993  -0.859
  617    HD1  PHE  80           HD1      PHE  80  -4.316   0.919   0.832
  618    HD2  PHE  80           HD2      PHE  80  -2.652   2.592  -2.714
  619    HE1  PHE  80           HE1      PHE  80  -4.777  -1.176  -0.370
  620    HE2  PHE  80           HE2      PHE  80  -3.111   0.499  -3.917
  621    HZ   PHE  80           HZ       PHE  80  -4.174  -1.388  -2.748
  622    HA   PRO  81           HA       PRO  81  -1.674   1.411   4.489
  623   1HB   PRO  81          2HB       PRO  81  -4.058   2.622   5.654
  624   2HB   PRO  81          1HB       PRO  81  -2.384   2.717   6.203
  625   1HG   PRO  81          2HG       PRO  81  -3.704   4.843   5.174
  626   2HG   PRO  81          1HG       PRO  81  -1.954   4.619   4.988
  627   1HD   PRO  81          2HD       PRO  81  -4.157   4.049   3.032
  628   2HD   PRO  81          1HD       PRO  81  -2.576   4.817   2.756
  629    H    SER  82           H        SER  82  -2.438  -0.595   4.831
  630    HA   SER  82           HA       SER  82  -4.564  -1.652   3.301
  631   1HB   SER  82          2HB       SER  82  -4.163  -3.729   4.532
  632   2HB   SER  82          1HB       SER  82  -2.631  -2.984   4.082
  633    HG   SER  82           HG       SER  82  -2.839  -1.991   6.309
  634    H    SER  83           H        SER  83  -4.470  -0.149   6.393
  635    HA   SER  83           HA       SER  83  -6.759  -1.278   7.581
  636   1HB   SER  83          1HB       SER  83  -5.059  -0.068   8.860
  637   2HB   SER  83          2HB       SER  83  -5.497   1.431   8.041
  638    HG   SER  83           HG       SER  83  -6.502   1.217  10.096
  639    H    ILE  84           H        ILE  84  -6.487   1.117   5.055
  640    HA   ILE  84           HA       ILE  84  -9.188   2.083   5.586
  641    HB   ILE  84           HB       ILE  84  -8.905   3.744   3.927
  642   1HG1  ILE  84          1HG1      ILE  84  -6.216   2.570   3.202
  643   2HG1  ILE  84          2HG1      ILE  84  -7.690   2.262   2.285
  644   1HG2  ILE  84          1HG2      ILE  84  -7.012   4.971   4.792
  645   2HG2  ILE  84          2HG2      ILE  84  -6.330   3.491   5.467
  646   3HG2  ILE  84          3HG2      ILE  84  -7.847   4.133   6.099
  647   1HD1  ILE  84          1HD1      ILE  84  -5.927   4.534   2.221
  648   2HD1  ILE  84          2HD1      ILE  84  -7.601   5.005   2.515
  649   3HD1  ILE  84          3HD1      ILE  84  -7.192   4.048   1.092
  650    H    VAL  85           H        VAL  85  -7.881  -0.507   3.918
  651    HA   VAL  85           HA       VAL  85 -10.197  -0.522   2.084
  652    HB   VAL  85           HB       VAL  85  -8.957  -1.879   0.503
  653   1HG1  VAL  85          1HG1      VAL  85  -8.680   0.751   0.785
  654   2HG1  VAL  85          2HG1      VAL  85  -7.859  -0.162  -0.482
  655   3HG1  VAL  85          3HG1      VAL  85  -6.993   0.280   0.989
  656   1HG2  VAL  85          1HG2      VAL  85  -6.821  -1.835   2.602
  657   2HG2  VAL  85          2HG2      VAL  85  -6.405  -2.052   0.901
  658   3HG2  VAL  85          3HG2      VAL  85  -7.476  -3.206   1.701
  659    H    ARG  86           H        ARG  86 -10.830  -2.750   1.366
  660    HA   ARG  86           HA       ARG  86 -10.431  -4.804   3.407
  661   1HB   ARG  86          2HB       ARG  86 -12.481  -3.528   4.008
  662   2HB   ARG  86          1HB       ARG  86 -13.176  -3.985   2.459
  663   1HG   ARG  86          2HG       ARG  86 -13.299  -6.251   3.058
  664   2HG   ARG  86          1HG       ARG  86 -12.226  -6.026   4.442
  665   1HD   ARG  86          1HD       ARG  86 -14.493  -6.243   5.220
  666   2HD   ARG  86          2HD       ARG  86 -13.923  -4.595   5.485
  667    HE   ARG  86           HE       ARG  86 -15.240  -4.677   3.022
  668   1HH1  ARG  86          1HH1      ARG  86 -16.018  -4.985   6.428
  669   2HH1  ARG  86          2HH1      ARG  86 -17.634  -4.397   6.230
  670   1HH2  ARG  86          1HH2      ARG  86 -17.362  -3.907   2.783
  671   2HH2  ARG  86          2HH2      ARG  86 -18.395  -3.788   4.168
  672    H    GLU  87           H        GLU  87  -9.775  -6.546   2.387
  673    HA   GLU  87           HA       GLU  87 -10.073  -6.943  -0.421
  674   1HB   GLU  87          1HB       GLU  87  -8.749  -8.297   1.827
  675   2HB   GLU  87          2HB       GLU  87  -9.288  -9.377   0.546
  676   1HG   GLU  87          2HG       GLU  87  -8.042  -7.966  -1.072
  677   2HG   GLU  87          1HG       GLU  87  -7.398  -7.060   0.295
  678    H    ASP  88           H        ASP  88 -11.587  -8.042  -1.518
  679    HA   ASP  88           HA       ASP  88 -13.552  -9.591   0.037
  680   1HB   ASP  88          1HB       ASP  88 -14.031  -7.858  -2.393
  681   2HB   ASP  88          2HB       ASP  88 -15.240  -8.906  -1.660
  682    H    GLN  89           H        GLN  89 -11.837  -9.292  -3.054
  683    HA   GLN  89           HA       GLN  89 -12.134 -12.196  -3.402
  684   1HB   GLN  89          2HB       GLN  89 -13.988 -10.988  -4.629
  685   2HB   GLN  89          1HB       GLN  89 -12.751 -10.279  -5.653
  686   1HG   GLN  89          2HG       GLN  89 -12.366 -13.097  -5.599
  687   2HG   GLN  89          1HG       GLN  89 -14.065 -12.763  -5.934
  688   1HE2  GLN  89          1HE2      GLN  89 -11.253 -13.369  -7.372
  689   2HE2  GLN  89          2HE2      GLN  89 -11.445 -12.508  -8.856
  690    H    THR  90           H        THR  90 -10.480 -13.199  -4.499
  691    HA   THR  90           HA       THR  90  -8.133 -11.536  -5.132
  692    HB   THR  90           HB       THR  90  -8.295 -14.511  -4.586
  693    HG1  THR  90           HG1      THR  90  -7.224 -12.505  -2.912
  694   1HG2  THR  90          1HG2      THR  90  -6.151 -14.738  -5.093
  695   2HG2  THR  90          2HG2      THR  90  -5.717 -13.328  -4.126
  696   3HG2  THR  90          3HG2      THR  90  -6.216 -13.127  -5.805
  697    H    LEU  91           H        LEU  91  -7.675 -11.217  -7.207
  698    HA   LEU  91           HA       LEU  91  -9.069 -12.696  -9.275
  699   1HB   LEU  91          1HB       LEU  91  -7.001 -10.550  -9.695
  700   2HB   LEU  91          2HB       LEU  91  -8.296 -11.026 -10.774
  701    HG   LEU  91           HG       LEU  91  -8.804  -9.714  -8.106
  702   1HD1  LEU  91          1HD2      LEU  91  -7.974  -8.547 -10.684
  703   2HD1  LEU  91          2HD2      LEU  91  -7.760  -7.948  -9.039
  704   3HD1  LEU  91          3HD2      LEU  91  -9.312  -7.754  -9.853
  705   1HD2  LEU  91          1HD1      LEU  91 -10.887  -9.023  -9.568
  706   2HD2  LEU  91          2HD1      LEU  91 -10.828 -10.564  -8.708
  707   3HD2  LEU  91          3HD1      LEU  91 -10.468 -10.502 -10.434
  708    H    LYS  92           H        LYS  92  -5.833 -12.390  -8.005
  709    HA   LYS  92           HA       LYS  92  -4.995 -14.775  -9.417
  710   1HB   LYS  92          2HB       LYS  92  -4.500 -12.906 -11.001
  711   2HB   LYS  92          1HB       LYS  92  -3.455 -12.188  -9.789
  712   1HG   LYS  92          2HG       LYS  92  -1.791 -13.320 -10.735
  713   2HG   LYS  92          1HG       LYS  92  -2.488 -14.766 -10.010
  714   1HD   LYS  92          2HD       LYS  92  -3.197 -13.731 -12.760
  715   2HD   LYS  92          1HD       LYS  92  -1.993 -14.976 -12.448
  716   1HE   LYS  92          2HE       LYS  92  -3.710 -16.405 -11.452
  717   2HE   LYS  92          1HE       LYS  92  -4.923 -15.161 -11.751
  718   1HZ   LYS  92          1HZ       LYS  92  -3.556 -16.921 -13.663
  719   2HZ   LYS  92          2HZ       LYS  92  -4.083 -15.403 -14.187
  720   3HZ   LYS  92          3HZ       LYS  92  -5.195 -16.513 -13.561
  721    HA   PRO  93           HA       PRO  93  -3.120 -15.350  -5.367
  722   1HB   PRO  93          2HB       PRO  93  -1.347 -17.201  -6.876
  723   2HB   PRO  93          1HB       PRO  93  -2.273 -17.492  -5.410
  724   1HG   PRO  93          2HG       PRO  93  -3.140 -18.496  -7.665
  725   2HG   PRO  93          1HG       PRO  93  -4.296 -17.677  -6.591
  726   1HD   PRO  93          2HD       PRO  93  -2.910 -16.617  -9.030
  727   2HD   PRO  93          1HD       PRO  93  -4.631 -16.532  -8.613
  728    H    GLY  94           H        GLY  94  -1.733 -14.029  -4.427
  729   1HA   GLY  94          1HA       GLY  94   0.655 -13.120  -5.884
  730   2HA   GLY  94          2HA       GLY  94  -0.047 -12.340  -4.470
  731    H    LYS  95           H        LYS  95   1.985 -14.894  -5.630
  732    HA   LYS  95           HA       LYS  95   2.928 -15.354  -2.892
  733   1HB   LYS  95          1HB       LYS  95   3.372 -17.764  -3.733
  734   2HB   LYS  95          2HB       LYS  95   1.742 -17.301  -3.260
  735   1HG   LYS  95          2HG       LYS  95   1.169 -16.928  -5.605
  736   2HG   LYS  95          1HG       LYS  95   2.799 -17.417  -6.074
  737   1HD   LYS  95          2HD       LYS  95   2.389 -19.631  -5.054
  738   2HD   LYS  95          1HD       LYS  95   0.740 -19.125  -4.677
  739   1HE   LYS  95          2HE       LYS  95   0.294 -18.807  -7.061
  740   2HE   LYS  95          1HE       LYS  95   1.941 -19.310  -7.439
  741   1HZ   LYS  95          1HZ       LYS  95   1.332 -21.446  -6.229
  742   2HZ   LYS  95          2HZ       LYS  95   0.652 -21.206  -7.759
  743   3HZ   LYS  95          3HZ       LYS  95  -0.278 -20.943  -6.372
  744    H    VAL  96           H        VAL  96   3.998 -13.662  -5.121
  745    HA   VAL  96           HA       VAL  96   6.667 -14.916  -5.323
  746    HB   VAL  96           HB       VAL  96   5.449 -12.936  -7.268
  747   1HG1  VAL  96          1HG1      VAL  96   7.733 -14.327  -8.284
  748   2HG1  VAL  96          2HG1      VAL  96   8.155 -13.561  -6.752
  749   3HG1  VAL  96          3HG1      VAL  96   7.495 -12.592  -8.071
  750   1HG2  VAL  96          1HG2      VAL  96   4.862 -14.637  -8.643
  751   2HG2  VAL  96          2HG2      VAL  96   4.770 -15.529  -7.124
  752   3HG2  VAL  96          3HG2      VAL  96   6.208 -15.658  -8.137
  753    H    ASP  97           H        ASP  97   8.189 -13.929  -4.175
  754    HA   ASP  97           HA       ASP  97   7.693 -11.257  -3.094
  755   1HB   ASP  97          2HB       ASP  97   8.393 -13.162  -1.625
  756   2HB   ASP  97          1HB       ASP  97   9.935 -13.191  -2.465
  757    H    VAL  98           H        VAL  98   8.231  -9.683  -4.421
  758    HA   VAL  98           HA       VAL  98  10.808  -9.764  -5.848
  759    HB   VAL  98           HB       VAL  98   8.761  -7.631  -6.388
  760   1HG1  VAL  98          1HG1      VAL  98  11.200  -8.390  -7.514
  761   2HG1  VAL  98          2HG1      VAL  98  10.056  -7.205  -8.145
  762   3HG1  VAL  98          3HG1      VAL  98   9.976  -8.883  -8.684
  763   1HG2  VAL  98          1HG2      VAL  98   8.262 -10.471  -6.771
  764   2HG2  VAL  98          2HG2      VAL  98   8.151  -9.552  -8.273
  765   3HG2  VAL  98          3HG2      VAL  98   7.158  -9.100  -6.886
  766    H    LYS  99           H        LYS  99  11.617  -7.240  -6.057
  767    HA   LYS  99           HA       LYS  99  11.351  -5.994  -3.404
  768   1HB   LYS  99          2HB       LYS  99  13.753  -5.549  -3.309
  769   2HB   LYS  99          1HB       LYS  99  13.443  -7.274  -3.398
  770   1HG   LYS  99          2HG       LYS  99  14.060  -5.744  -5.882
  771   2HG   LYS  99          1HG       LYS  99  15.355  -6.231  -4.792
  772   1HD   LYS  99          2HD       LYS  99  14.643  -8.571  -5.004
  773   2HD   LYS  99          1HD       LYS  99  13.353  -8.076  -6.100
  774   1HE   LYS  99          2HE       LYS  99  16.307  -7.696  -6.581
  775   2HE   LYS  99          1HE       LYS  99  15.310  -8.959  -7.300
  776   1HZ   LYS  99          1HZ       LYS  99  15.326  -6.071  -7.850
  777   2HZ   LYS  99          2HZ       LYS  99  13.908  -6.954  -8.112
  778   3HZ   LYS  99          3HZ       LYS  99  15.326  -7.369  -8.935
  779    H    THR 100           H        THR 100  12.234  -3.705  -3.398
  780    HA   THR 100           HA       THR 100  11.319  -2.342  -5.818
  781    HB   THR 100           HB       THR 100  11.348  -0.295  -4.417
  782    HG1  THR 100           HG1      THR 100  12.785  -0.503  -2.864
  783   1HG2  THR 100          1HG2      THR 100   9.538  -0.793  -2.949
  784   2HG2  THR 100          2HG2      THR 100   9.928  -2.514  -2.969
  785   3HG2  THR 100          3HG2      THR 100   9.325  -1.729  -4.429
  786    H    ASP 101           H        ASP 101  12.547  -0.259  -6.366
  787    HA   ASP 101           HA       ASP 101  15.445  -0.726  -6.181
  788   1HB   ASP 101          2HB       ASP 101  15.617   0.217  -8.506
  789   2HB   ASP 101          1HB       ASP 101  14.807  -1.340  -8.405
  790    H    LYS 102           H        LYS 102  16.496   1.480  -7.259
  791    HA   LYS 102           HA       LYS 102  16.165   3.438  -5.262
  792   1HB   LYS 102          1HB       LYS 102  18.290   2.955  -6.423
  793   2HB   LYS 102          2HB       LYS 102  17.604   3.633  -7.887
  794   1HG   LYS 102          1HG       LYS 102  17.297   5.774  -6.632
  795   2HG   LYS 102          2HG       LYS 102  18.286   5.069  -5.354
  796   1HD   LYS 102          2HD       LYS 102  20.167   5.461  -6.489
  797   2HD   LYS 102          1HD       LYS 102  19.504   4.742  -7.960
  798   1HE   LYS 102          2HE       LYS 102  18.351   6.820  -8.467
  799   2HE   LYS 102          1HE       LYS 102  18.987   7.549  -6.992
  800   1HZ   LYS 102          1HZ       LYS 102  21.095   7.680  -7.860
  801   2HZ   LYS 102          2HZ       LYS 102  20.168   7.952  -9.249
  802   3HZ   LYS 102          3HZ       LYS 102  20.851   6.428  -8.974
  803    H    TRP 103           H        TRP 103  15.070   3.233  -8.610
  804    HA   TRP 103           HA       TRP 103  13.978   5.921  -8.533
  805   1HB   TRP 103          2HB       TRP 103  13.806   3.872 -10.754
  806   2HB   TRP 103          1HB       TRP 103  13.454   5.590 -10.884
  807    HD1  TRP 103           HD1      TRP 103  16.387   3.147 -10.639
  808    HE1  TRP 103           HE1      TRP 103  18.551   4.371 -11.296
  809    HE3  TRP 103           HE3      TRP 103  14.558   7.913 -10.982
  810    HZ2  TRP 103           HZ2      TRP 103  19.378   6.999 -11.875
  811    HZ3  TRP 103           HZ3      TRP 103  16.108   9.726 -11.594
  812    HH2  TRP 103           HH2      TRP 103  18.467   9.277 -12.032
  813    H    ASP 104           H        ASP 104  12.745   4.514  -6.606
  814    HA   ASP 104           HA       ASP 104  10.025   4.137  -7.663
  815   1HB   ASP 104          2HB       ASP 104  11.532   2.457  -5.681
  816   2HB   ASP 104          1HB       ASP 104   9.778   2.540  -5.607
  817    H    PHE 105           H        PHE 105  12.109   5.618  -5.387
  818    HA   PHE 105           HA       PHE 105   9.796   6.819  -4.002
  819   1HB   PHE 105          2HB       PHE 105  12.530   6.364  -2.780
  820   2HB   PHE 105          1HB       PHE 105  11.096   6.969  -1.964
  821    HD1  PHE 105           HD1      PHE 105  12.743   3.992  -3.337
  822    HD2  PHE 105           HD2      PHE 105   9.365   5.473  -1.209
  823    HE1  PHE 105           HE1      PHE 105  12.164   1.699  -2.668
  824    HE2  PHE 105           HE2      PHE 105   8.783   3.177  -0.537
  825    HZ   PHE 105           HZ       PHE 105  10.184   1.291  -1.264
  826    H    TYR 106           H        TYR 106  12.612   7.294  -5.837
  827    HA   TYR 106           HA       TYR 106  13.027  10.066  -5.053
  828   1HB   TYR 106          2HB       TYR 106  14.919   8.500  -5.532
  829   2HB   TYR 106          1HB       TYR 106  14.379   8.401  -7.198
  830    HD1  TYR 106           HD1      TYR 106  16.035   9.333  -8.482
  831    HD2  TYR 106           HD2      TYR 106  14.827  11.393  -4.954
  832    HE1  TYR 106           HE1      TYR 106  17.515  11.204  -9.071
  833    HE2  TYR 106           HE2      TYR 106  16.292  13.273  -5.549
  834    HH   TYR 106           HH       TYR 106  18.690  13.252  -7.290
  835    H    CYS 107           H        CYS 107  11.702  11.578  -5.875
  836    HA   CYS 107           HA       CYS 107  10.760  11.271  -8.655
  837   1HB   CYS 107          1HB       CYS 107   9.340  12.724  -6.423
  838   2HB   CYS 107          2HB       CYS 107   8.737  12.432  -8.046
  839    H    GLN 108           HN       GLN 108  13.174  12.603  -7.821
  840    HA   GLN 108           HA       GLN 108  12.548  15.355  -8.634
  841   1HB   GLN 108          2HB       GLN 108  13.313  15.360  -6.352
  842   2HB   GLN 108          1HB       GLN 108  14.681  14.337  -6.752
  843   1HG   GLN 108          2HG       GLN 108  15.700  16.097  -8.005
  844   2HG   GLN 108          1HG       GLN 108  14.289  17.130  -7.777
  845   1HE2  GLN 108          1HE2      GLN 108  17.339  16.609  -6.762
  846   2HE2  GLN 108          2HE2      GLN 108  17.249  17.264  -5.166
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1   6.582  16.621  -3.561
    2   2H    MET   1          2HT       MET   1   8.022  17.203  -2.893
    3   3H    MET   1          3HT       MET   1   7.270  15.843  -2.226
    4    HA   MET   1           HA       MET   1   7.887  14.455  -3.916
    5   1HB   MET   1          2HB       MET   1   8.642  15.324  -6.127
    6   2HB   MET   1          1HB       MET   1   6.991  15.767  -5.727
    7   1HG   MET   1          1HG       MET   1   7.754  18.003  -5.078
    8   2HG   MET   1          2HG       MET   1   9.405  17.554  -5.505
    9   1HE   MET   1          1HE       MET   1   7.907  20.132  -6.670
   10   2HE   MET   1          2HE       MET   1   8.396  20.050  -8.362
   11   3HE   MET   1          3HE       MET   1   9.562  19.692  -7.089
   12    H    GLY   2           H        GLY   2   9.938  13.606  -4.358
   13   1HA   GLY   2          2HA       GLY   2  12.393  14.371  -4.595
   14   2HA   GLY   2          1HA       GLY   2  12.126  15.031  -2.989
   15    HA   PRO   3           HA       PRO   3  13.622  10.525  -2.804
   16   1HB   PRO   3          2HB       PRO   3  15.858  11.536  -1.227
   17   2HB   PRO   3          1HB       PRO   3  15.865  10.536  -2.674
   18   1HG   PRO   3          1HG       PRO   3  16.698  13.105  -2.651
   19   2HG   PRO   3          2HG       PRO   3  16.046  12.291  -4.078
   20   1HD   PRO   3          1HD       PRO   3  14.759  14.260  -2.266
   21   2HD   PRO   3          2HD       PRO   3  14.559  14.007  -4.006
   22    H    MET   4           H        MET   4  13.402   9.208  -1.035
   23    HA   MET   4           HA       MET   4  13.151  10.277   1.643
   24   1HB   MET   4          2HB       MET   4  10.800   9.409   1.871
   25   2HB   MET   4          1HB       MET   4  10.954  10.808   0.819
   26   1HG   MET   4          2HG       MET   4  11.224   8.652  -0.898
   27   2HG   MET   4          1HG       MET   4   9.974   8.145   0.238
   28   1HE   MET   4          1HE       MET   4   7.155   9.988   0.021
   29   2HE   MET   4          2HE       MET   4   8.063  11.456   0.384
   30   3HE   MET   4          3HE       MET   4   8.484   9.939   1.179
   31    HA   PRO   5           HA       PRO   5  14.422   6.222   3.049
   32   1HB   PRO   5          2HB       PRO   5  11.813   5.897   4.469
   33   2HB   PRO   5          1HB       PRO   5  13.455   5.644   5.068
   34   1HG   PRO   5          1HG       PRO   5  12.128   7.826   5.747
   35   2HG   PRO   5          2HG       PRO   5  13.847   7.930   5.315
   36   1HD   PRO   5          1HD       PRO   5  11.438   8.683   3.714
   37   2HD   PRO   5          2HD       PRO   5  13.017   9.482   3.820
   38    H    LYS   6           H        LYS   6  14.087   3.958   2.749
   39    HA   LYS   6           HA       LYS   6  12.750   3.318   0.366
   40   1HB   LYS   6          2HB       LYS   6  14.053   1.612   2.469
   41   2HB   LYS   6          1HB       LYS   6  13.283   0.911   1.054
   42   1HG   LYS   6          1HG       LYS   6  15.472   1.049   0.367
   43   2HG   LYS   6          2HG       LYS   6  14.808   2.546  -0.271
   44   1HD   LYS   6          1HD       LYS   6  16.910   3.077   0.699
   45   2HD   LYS   6          2HD       LYS   6  15.668   3.708   1.777
   46   1HE   LYS   6          2HE       LYS   6  17.433   2.661   3.066
   47   2HE   LYS   6          1HE       LYS   6  15.941   1.735   3.222
   48   1HZ   LYS   6          1HZ       LYS   6  17.904   0.983   1.165
   49   2HZ   LYS   6          2HZ       LYS   6  16.771   0.017   1.969
   50   3HZ   LYS   6          3HZ       LYS   6  18.168   0.525   2.773
   51    H    LEU   7           H        LEU   7  11.719   3.091   3.693
   52    HA   LEU   7           HA       LEU   7   9.676   2.765   4.637
   53   1HB   LEU   7          2HB       LEU   7   8.728   3.883   2.618
   54   2HB   LEU   7          1HB       LEU   7   8.596   2.318   1.847
   55    HG   LEU   7           HG       LEU   7   7.079   1.678   3.830
   56   1HD1  LEU   7          1HD1      LEU   7   6.051   4.307   4.188
   57   2HD1  LEU   7          2HD1      LEU   7   7.765   4.311   4.605
   58   3HD1  LEU   7          3HD1      LEU   7   6.666   3.185   5.402
   59   1HD2  LEU   7          1HD2      LEU   7   5.680   3.750   2.290
   60   2HD2  LEU   7          2HD2      LEU   7   5.333   2.030   2.463
   61   3HD2  LEU   7          3HD2      LEU   7   6.572   2.571   1.330
   62    H    ALA   8           H        ALA   8  10.728   0.430   2.224
   63    HA   ALA   8           HA       ALA   8  10.289  -1.754   4.050
   64   1HB   ALA   8          1HB       ALA   8   8.493  -2.719   3.119
   65   2HB   ALA   8          2HB       ALA   8   9.099  -2.454   1.484
   66   3HB   ALA   8          3HB       ALA   8   8.216  -1.174   2.315
   67    H    ASP   9           H        ASP   9  10.632  -3.880   2.270
   68    HA   ASP   9           HA       ASP   9  13.132  -3.222   0.859
   69   1HB   ASP   9          2HB       ASP   9  13.509  -4.314   3.117
   70   2HB   ASP   9          1HB       ASP   9  12.726  -5.750   2.468
   71    H    ARG  10           H        ARG  10  10.709  -5.808   1.320
   72    HA   ARG  10           HA       ARG  10  10.807  -6.307  -1.587
   73   1HB   ARG  10          2HB       ARG  10  10.465  -8.332   0.624
   74   2HB   ARG  10          1HB       ARG  10  10.306  -8.688  -1.085
   75   1HG   ARG  10          2HG       ARG  10  12.554  -8.565  -1.451
   76   2HG   ARG  10          1HG       ARG  10  12.823  -7.446  -0.112
   77   1HD   ARG  10          1HD       ARG  10  13.747  -9.552   0.503
   78   2HD   ARG  10          2HD       ARG  10  12.294  -9.304   1.457
   79    HE   ARG  10           HE       ARG  10  11.351 -11.128   0.450
   80   1HH1  ARG  10          1HH1      ARG  10  14.211 -10.239  -1.378
   81   2HH1  ARG  10          2HH1      ARG  10  14.132 -11.638  -2.396
   82   1HH2  ARG  10          1HH2      ARG  10  11.270 -12.954  -0.891
   83   2HH2  ARG  10          2HH2      ARG  10  12.471 -13.172  -2.121
   84    H    LYS  11           H        LYS  11   8.834  -7.329  -2.442
   85    HA   LYS  11           HA       LYS  11   6.384  -6.611  -0.988
   86   1HB   LYS  11          2HB       LYS  11   5.454  -5.781  -3.152
   87   2HB   LYS  11          1HB       LYS  11   6.803  -4.821  -2.557
   88   1HG   LYS  11          1HG       LYS  11   8.256  -6.295  -4.076
   89   2HG   LYS  11          2HG       LYS  11   6.736  -6.751  -4.844
   90   1HD   LYS  11          2HD       LYS  11   6.319  -4.558  -5.557
   91   2HD   LYS  11          1HD       LYS  11   7.537  -3.888  -4.467
   92   1HE   LYS  11          2HE       LYS  11   9.289  -5.051  -5.751
   93   2HE   LYS  11          1HE       LYS  11   8.053  -5.634  -6.871
   94   1HZ   LYS  11          1HZ       LYS  11   8.129  -2.761  -6.423
   95   2HZ   LYS  11          2HZ       LYS  11   7.860  -3.627  -7.850
   96   3HZ   LYS  11          3HZ       LYS  11   9.436  -3.414  -7.276
   97    H    LEU  12           H        LEU  12   4.415  -7.602  -2.039
   98    HA   LEU  12           HA       LEU  12   5.046 -10.307  -3.017
   99   1HB   LEU  12          2HB       LEU  12   2.654  -9.338  -1.450
  100   2HB   LEU  12          1HB       LEU  12   2.797 -10.943  -2.134
  101    HG   LEU  12           HG       LEU  12   4.707  -9.842  -0.071
  102   1HD1  LEU  12          1HD1      LEU  12   2.087 -11.234   0.195
  103   2HD1  LEU  12          2HD1      LEU  12   2.786  -9.949   1.178
  104   3HD1  LEU  12          3HD1      LEU  12   3.373 -11.603   1.343
  105   1HD2  LEU  12          1HD2      LEU  12   4.302 -12.515  -1.367
  106   2HD2  LEU  12          2HD2      LEU  12   5.020 -12.387   0.239
  107   3HD2  LEU  12          3HD2      LEU  12   5.794 -11.602  -1.138
  108    H    CYS  13           H        CYS  13   4.592 -10.658  -5.050
  109    HA   CYS  13           HA       CYS  13   2.388  -9.177  -6.331
  110   1HB   CYS  13          2HB       CYS  13   4.995 -10.081  -7.574
  111   2HB   CYS  13          1HB       CYS  13   3.673  -9.311  -8.440
  112    H    ALA  14           H        ALA  14   1.682 -10.328  -8.414
  113    HA   ALA  14           HA       ALA  14   1.054 -13.084  -7.733
  114   1HB   ALA  14          1HB       ALA  14  -0.864 -12.056  -8.481
  115   2HB   ALA  14          2HB       ALA  14  -0.293 -12.806  -9.972
  116   3HB   ALA  14          3HB       ALA  14  -0.008 -11.089  -9.681
  117    H    ASP  15           H        ASP  15   2.899 -11.239 -10.051
  118    HA   ASP  15           HA       ASP  15   4.115 -13.718 -11.051
  119   1HB   ASP  15          2HB       ASP  15   3.137 -11.387 -12.707
  120   2HB   ASP  15          1HB       ASP  15   4.300 -12.560 -13.312
  121    H    GLN  16           H        GLN  16   6.202 -13.159 -12.294
  122    HA   GLN  16           HA       GLN  16   7.947 -11.785 -10.527
  123   1HB   GLN  16          2HB       GLN  16   8.525 -13.754 -11.999
  124   2HB   GLN  16          1HB       GLN  16   8.531 -12.649 -13.365
  125   1HG   GLN  16          2HG       GLN  16  10.342 -11.375 -12.330
  126   2HG   GLN  16          1HG       GLN  16  10.336 -12.484 -10.959
  127   1HE2  GLN  16          1HE2      GLN  16  11.884 -11.749 -13.730
  128   2HE2  GLN  16          2HE2      GLN  16  12.578 -13.285 -14.108
  129    H    GLU  17           H        GLU  17   6.023 -10.733 -13.151
  130    HA   GLU  17           HA       GLU  17   7.633  -8.383 -13.730
  131   1HB   GLU  17          2HB       GLU  17   5.003  -9.377 -14.834
  132   2HB   GLU  17          1HB       GLU  17   5.710  -7.842 -15.300
  133   1HG   GLU  17          1HG       GLU  17   6.395  -9.227 -17.001
  134   2HG   GLU  17          2HG       GLU  17   7.786  -9.258 -15.924
  135    H    CYS  18           H        CYS  18   5.117  -9.271 -11.594
  136    HA   CYS  18           HA       CYS  18   3.753  -8.150 -10.164
  137   1HB   CYS  18          1HB       CYS  18   5.860  -6.008 -10.543
  138   2HB   CYS  18          2HB       CYS  18   4.546  -5.874  -9.381
  139    H    SER  19           H        SER  19   3.304  -8.043 -13.027
  140    HA   SER  19           HA       SER  19   2.006  -5.476 -13.468
  141   1HB   SER  19          2HB       SER  19   3.444  -6.312 -15.237
  142   2HB   SER  19          1HB       SER  19   2.513  -7.796 -15.307
  143    HG   SER  19           HG       SER  19   1.404  -6.758 -16.763
  144    H    HIS  20           H        HIS  20   1.232  -8.480 -12.248
  145    HA   HIS  20           HA       HIS  20  -1.542  -8.425 -13.183
  146   1HB   HIS  20          2HB       HIS  20   0.240 -10.503 -12.030
  147   2HB   HIS  20          1HB       HIS  20  -1.469 -10.622 -11.643
  148    HD1  HIS  20           HD1      HIS  20  -1.083 -12.923 -12.996
  149    HD2  HIS  20           HD2      HIS  20  -1.086  -9.437 -15.255
  150    HE1  HIS  20           HE1      HIS  20  -1.564 -13.655 -15.338
  151    HE2  HIS  20           HE2      HIS  20  -1.426 -11.544 -16.720
  152    HA   PRO  21           HA       PRO  21  -2.847  -6.994  -9.145
  153   1HB   PRO  21          1HB       PRO  21  -5.540  -7.223  -9.519
  154   2HB   PRO  21          2HB       PRO  21  -4.562  -5.951 -10.257
  155   1HG   PRO  21          1HG       PRO  21  -5.892  -8.203 -11.523
  156   2HG   PRO  21          2HG       PRO  21  -5.126  -6.797 -12.275
  157   1HD   PRO  21          1HD       PRO  21  -4.074  -9.502 -11.908
  158   2HD   PRO  21          2HD       PRO  21  -3.463  -8.182 -12.930
  159    H    ILE  22           H        ILE  22  -2.611  -8.181  -7.337
  160    HA   ILE  22           HA       ILE  22  -3.265 -10.930  -7.177
  161    HB   ILE  22           HB       ILE  22  -2.623  -9.024  -4.912
  162   1HG1  ILE  22          2HG1      ILE  22  -0.431 -10.526  -5.083
  163   2HG1  ILE  22          1HG1      ILE  22  -0.952 -10.669  -6.761
  164   1HG2  ILE  22          1HG2      ILE  22  -3.067 -10.666  -3.484
  165   2HG2  ILE  22          2HG2      ILE  22  -1.917 -11.713  -4.312
  166   3HG2  ILE  22          3HG2      ILE  22  -3.607 -11.687  -4.818
  167   1HD1  ILE  22          1HD1      ILE  22   0.424  -8.532  -5.473
  168   2HD1  ILE  22          2HD1      ILE  22  -1.113  -7.944  -6.107
  169   3HD1  ILE  22          3HD1      ILE  22   0.036  -8.744  -7.181
  170    H    SER  23           H        SER  23  -4.620  -8.246  -5.233
  171    HA   SER  23           HA       SER  23  -7.204  -9.635  -5.337
  172   1HB   SER  23          2HB       SER  23  -7.496  -8.975  -2.905
  173   2HB   SER  23          1HB       SER  23  -6.303 -10.236  -3.220
  174    HG   SER  23           HG       SER  23  -5.618  -7.498  -3.014
  175    H    MET  24           H        MET  24  -9.016  -8.432  -5.321
  176    HA   MET  24           HA       MET  24  -8.734  -5.569  -5.878
  177   1HB   MET  24          1HB       MET  24  -9.950  -7.230  -7.426
  178   2HB   MET  24          2HB       MET  24 -11.210  -7.266  -6.203
  179   1HG   MET  24          2HG       MET  24 -11.221  -4.696  -6.475
  180   2HG   MET  24          1HG       MET  24 -10.369  -5.025  -7.981
  181   1HE   MET  24          1HE       MET  24 -13.124  -6.972  -6.076
  182   2HE   MET  24          2HE       MET  24 -14.563  -6.718  -7.064
  183   3HE   MET  24          3HE       MET  24 -13.906  -5.391  -6.106
  184    H    ALA  25           H        ALA  25  -9.265  -4.144  -4.300
  185    HA   ALA  25           HA       ALA  25 -11.052  -5.078  -2.146
  186   1HB   ALA  25          1HB       ALA  25  -9.177  -4.827  -0.927
  187   2HB   ALA  25          2HB       ALA  25  -9.691  -3.140  -0.909
  188   3HB   ALA  25          3HB       ALA  25  -8.463  -3.673  -2.055
  189    H    VAL  26           H        VAL  26 -12.275  -3.486  -1.021
  190    HA   VAL  26           HA       VAL  26 -13.083  -1.229  -2.750
  191    HB   VAL  26           HB       VAL  26 -14.722  -2.576  -0.580
  192   1HG1  VAL  26          1HG2      VAL  26 -15.456  -0.516  -2.661
  193   2HG1  VAL  26          2HG2      VAL  26 -15.398  -0.281  -0.914
  194   3HG1  VAL  26          3HG2      VAL  26 -16.610  -1.350  -1.620
  195   1HG2  VAL  26          1HG1      VAL  26 -14.986  -2.857  -3.572
  196   2HG2  VAL  26          2HG1      VAL  26 -15.991  -3.631  -2.348
  197   3HG2  VAL  26          3HG1      VAL  26 -14.290  -4.071  -2.499
  198    H    ALA  27           H        ALA  27 -13.005   0.826  -1.955
  199    HA   ALA  27           HA       ALA  27 -11.554   1.287   0.491
  200   1HB   ALA  27          1HB       ALA  27 -11.535   2.594  -1.788
  201   2HB   ALA  27          2HB       ALA  27 -11.236   3.419  -0.258
  202   3HB   ALA  27          3HB       ALA  27 -12.828   3.510  -1.014
  203    H    LEU  28           H        LEU  28 -12.261   2.119   2.399
  204    HA   LEU  28           HA       LEU  28 -15.166   2.205   2.785
  205   1HB   LEU  28          2HB       LEU  28 -12.881   1.851   4.714
  206   2HB   LEU  28          1HB       LEU  28 -14.507   2.190   5.259
  207    HG   LEU  28           HG       LEU  28 -14.127  -0.148   5.494
  208   1HD1  LEU  28          1HD1      LEU  28 -16.306   0.753   4.358
  209   2HD1  LEU  28          2HD1      LEU  28 -16.018  -0.978   4.520
  210   3HD1  LEU  28          3HD1      LEU  28 -15.715  -0.175   2.980
  211   1HD2  LEU  28          1HD2      LEU  28 -13.760  -0.935   2.741
  212   2HD2  LEU  28          2HD2      LEU  28 -12.851  -1.391   4.182
  213   3HD2  LEU  28          3HD2      LEU  28 -12.446   0.092   3.316
  214    H    GLN  29           H        GLN  29 -12.389   4.283   2.787
  215    HA   GLN  29           HA       GLN  29 -14.117   6.552   3.359
  216   1HB   GLN  29          1HB       GLN  29 -12.541   7.484   5.048
  217   2HB   GLN  29          2HB       GLN  29 -13.380   6.034   5.581
  218   1HG   GLN  29          2HG       GLN  29 -11.420   4.697   5.189
  219   2HG   GLN  29          1HG       GLN  29 -10.574   6.073   4.493
  220   1HE2  GLN  29          1HE2      GLN  29 -12.194   7.492   6.913
  221   2HE2  GLN  29          2HE2      GLN  29 -11.060   7.310   8.196
  222    H    ASP  30           H        ASP  30 -12.645   8.644   3.382
  223    HA   ASP  30           HA       ASP  30 -11.370   8.718   0.790
  224   1HB   ASP  30          1HB       ASP  30 -11.869  10.903   2.823
  225   2HB   ASP  30          2HB       ASP  30 -11.250  11.159   1.194
  226    H    TYR  31           H        TYR  31  -9.280   9.552   0.388
  227    HA   TYR  31           HA       TYR  31  -7.389   9.806   2.571
  228   1HB   TYR  31          2HB       TYR  31  -7.495   7.329   1.976
  229   2HB   TYR  31          1HB       TYR  31  -6.873   7.768   0.393
  230    HD1  TYR  31           HD1      TYR  31  -4.590   7.743   0.035
  231    HD2  TYR  31           HD2      TYR  31  -6.024   8.173   4.020
  232    HE1  TYR  31           HE1      TYR  31  -2.283   7.625   0.872
  233    HE2  TYR  31           HE2      TYR  31  -3.719   8.054   4.868
  234    HH   TYR  31           HH       TYR  31  -1.059   8.492   3.031
  235    H    MET  32           H        MET  32  -6.532  11.753   2.030
  236    HA   MET  32           HA       MET  32  -6.046  12.368  -0.782
  237   1HB   MET  32          2HB       MET  32  -6.100  14.011   1.728
  238   2HB   MET  32          1HB       MET  32  -5.312  14.628   0.284
  239   1HG   MET  32          2HG       MET  32  -7.567  15.461   0.435
  240   2HG   MET  32          1HG       MET  32  -7.402  14.405  -0.959
  241   1HE   MET  32          1HE       MET  32  -9.745  13.556   2.893
  242   2HE   MET  32          2HE       MET  32  -8.503  14.784   2.649
  243   3HE   MET  32          3HE       MET  32  -8.042  13.101   2.905
  244    H    ALA  33           H        ALA  33  -4.163  11.966  -1.680
  245    HA   ALA  33           HA       ALA  33  -1.908  11.090  -0.175
  246   1HB   ALA  33          1HB       ALA  33  -0.813  11.257  -2.528
  247   2HB   ALA  33          2HB       ALA  33  -2.467  11.531  -3.070
  248   3HB   ALA  33          3HB       ALA  33  -2.054  10.044  -2.216
  249    HA   PRO  34           HA       PRO  34  -0.242  15.271   0.321
  250   1HB   PRO  34          2HB       PRO  34   1.860  14.083   1.931
  251   2HB   PRO  34          1HB       PRO  34   0.545  15.143   2.441
  252   1HG   PRO  34          2HG       PRO  34   0.707  12.530   3.156
  253   2HG   PRO  34          1HG       PRO  34  -0.836  13.386   2.963
  254   1HD   PRO  34          2HD       PRO  34   0.559  11.540   1.054
  255   2HD   PRO  34          1HD       PRO  34  -1.159  11.614   1.498
  256    H    ASP  35           H        ASP  35   2.220  12.681   0.291
  257    HA   ASP  35           HA       ASP  35   3.883  14.264  -1.496
  258   1HB   ASP  35          2HB       ASP  35   4.767  13.112   0.584
  259   2HB   ASP  35          1HB       ASP  35   4.536  11.588  -0.260
  260    H    CYS  36           H        CYS  36   5.026  13.134  -3.244
  261    HA   CYS  36           HA       CYS  36   3.321  12.226  -5.236
  262   1HB   CYS  36          2HB       CYS  36   5.392  13.296  -5.768
  263   2HB   CYS  36          1HB       CYS  36   6.315  12.065  -4.917
  264    H    ARG  37           H        ARG  37   5.314  10.321  -2.975
  265    HA   ARG  37           HA       ARG  37   5.029   7.876  -4.370
  266   1HB   ARG  37          2HB       ARG  37   6.079   6.822  -2.552
  267   2HB   ARG  37          1HB       ARG  37   6.776   8.431  -2.624
  268   1HG   ARG  37          2HG       ARG  37   6.285   8.710  -0.489
  269   2HG   ARG  37          1HG       ARG  37   4.568   8.578  -0.874
  270   1HD   ARG  37          2HD       ARG  37   5.094   6.951   0.813
  271   2HD   ARG  37          1HD       ARG  37   4.786   6.106  -0.703
  272    HE   ARG  37           HE       ARG  37   6.934   5.352  -0.687
  273   1HH1  ARG  37          1HH1      ARG  37   6.707   7.969   1.636
  274   2HH1  ARG  37          2HH1      ARG  37   8.325   7.749   2.210
  275   1HH2  ARG  37          1HH2      ARG  37   9.043   5.077   0.086
  276   2HH2  ARG  37          2HH2      ARG  37   9.643   6.114   1.336
  277    H    PHE  38           H        PHE  38   2.746   9.536  -2.378
  278    HA   PHE  38           HA       PHE  38   1.279   7.065  -1.817
  279   1HB   PHE  38          2HB       PHE  38   0.637   9.904  -0.997
  280   2HB   PHE  38          1HB       PHE  38  -0.246   8.472  -0.491
  281    HD1  PHE  38           HD1      PHE  38   2.588  10.600   0.124
  282    HD2  PHE  38           HD2      PHE  38   0.910   6.778   0.974
  283    HE1  PHE  38           HE1      PHE  38   4.085  10.374   2.062
  284    HE2  PHE  38           HE2      PHE  38   2.403   6.552   2.913
  285    HZ   PHE  38           HZ       PHE  38   3.992   8.350   3.461
  286    H    LEU  39           H        LEU  39  -1.097   7.032  -2.200
  287    HA   LEU  39           HA       LEU  39  -1.800   8.351  -4.748
  288   1HB   LEU  39          1HB       LEU  39  -1.549   5.604  -4.226
  289   2HB   LEU  39          2HB       LEU  39  -3.273   5.905  -4.253
  290    HG   LEU  39           HG       LEU  39  -1.366   6.605  -6.494
  291   1HD1  LEU  39          1HD1      LEU  39  -1.780   4.139  -5.990
  292   2HD1  LEU  39          2HD1      LEU  39  -2.103   4.696  -7.632
  293   3HD1  LEU  39          3HD1      LEU  39  -3.438   4.435  -6.510
  294   1HD2  LEU  39          1HD2      LEU  39  -3.333   8.063  -6.412
  295   2HD2  LEU  39          2HD2      LEU  39  -4.381   6.643  -6.404
  296   3HD2  LEU  39          3HD2      LEU  39  -3.374   6.990  -7.811
  297    H    THR  40           H        THR  40  -3.874   9.187  -4.952
  298    HA   THR  40           HA       THR  40  -5.329   9.558  -2.455
  299    HB   THR  40           HB       THR  40  -5.844  10.799  -5.171
  300    HG1  THR  40           HG1      THR  40  -4.640  12.489  -4.470
  301   1HG2  THR  40          1HG2      THR  40  -7.755  10.879  -3.544
  302   2HG2  THR  40          2HG2      THR  40  -7.151  12.446  -4.083
  303   3HG2  THR  40          3HG2      THR  40  -6.717  11.835  -2.485
  304    H    ILE  41           H        ILE  41  -7.091   8.499  -1.920
  305    HA   ILE  41           HA       ILE  41  -8.637   7.078  -3.988
  306    HB   ILE  41           HB       ILE  41  -7.804   6.101  -1.241
  307   1HG1  ILE  41          1HG1      ILE  41  -7.555   4.694  -3.900
  308   2HG1  ILE  41          2HG1      ILE  41  -6.324   5.824  -3.330
  309   1HG2  ILE  41          1HG2      ILE  41  -9.895   5.216  -1.162
  310   2HG2  ILE  41          2HG2      ILE  41  -9.160   3.995  -2.202
  311   3HG2  ILE  41          3HG2      ILE  41 -10.117   5.297  -2.910
  312   1HD1  ILE  41          1HD1      ILE  41  -6.991   3.104  -2.370
  313   2HD1  ILE  41          2HD1      ILE  41  -6.421   4.277  -1.184
  314   3HD1  ILE  41          3HD1      ILE  41  -5.422   3.880  -2.584
  315    H    HIS  42           H        HIS  42 -10.868   7.089  -3.761
  316    HA   HIS  42           HA       HIS  42 -11.941   8.944  -1.752
  317   1HB   HIS  42          2HB       HIS  42 -13.000   8.076  -4.446
  318   2HB   HIS  42          1HB       HIS  42 -13.960   8.992  -3.289
  319    HD1  HIS  42           HD1      HIS  42 -12.493  11.291  -2.458
  320    HD2  HIS  42           HD2      HIS  42 -11.855   9.713  -6.250
  321    HE1  HIS  42           HE1      HIS  42 -11.491  13.163  -3.805
  322    HE2  HIS  42           HE2      HIS  42 -11.119  12.188  -6.100
  323    H    ARG  43           H        ARG  43 -14.105   8.419  -0.891
  324    HA   ARG  43           HA       ARG  43 -14.150   5.833   0.248
  325   1HB   ARG  43          2HB       ARG  43 -15.082   7.888   1.311
  326   2HB   ARG  43          1HB       ARG  43 -16.387   7.869   0.136
  327   1HG   ARG  43          1HG       ARG  43 -17.133   5.714   1.001
  328   2HG   ARG  43          2HG       ARG  43 -15.810   5.729   2.173
  329   1HD   ARG  43          2HD       ARG  43 -16.723   7.831   3.106
  330   2HD   ARG  43          1HD       ARG  43 -18.088   7.698   1.996
  331    HE   ARG  43           HE       ARG  43 -17.871   5.320   3.456
  332   1HH1  ARG  43          1HH1      ARG  43 -18.743   8.676   3.973
  333   2HH1  ARG  43          2HH1      ARG  43 -19.798   8.317   5.297
  334   1HH2  ARG  43          1HH2      ARG  43 -19.259   4.868   5.195
  335   2HH2  ARG  43          2HH2      ARG  43 -20.091   6.163   5.989
  336    H    GLY  44           H        GLY  44 -14.707   4.001  -0.729
  337   1HA   GLY  44          1HA       GLY  44 -16.278   2.553  -1.717
  338   2HA   GLY  44          2HA       GLY  44 -17.114   3.943  -2.386
  339    H    GLN  45           H        GLN  45 -13.768   4.159  -2.922
  340    HA   GLN  45           HA       GLN  45 -14.151   3.653  -5.736
  341   1HB   GLN  45          2HB       GLN  45 -12.180   5.032  -4.080
  342   2HB   GLN  45          1HB       GLN  45 -11.447   4.127  -5.394
  343   1HG   GLN  45          1HG       GLN  45 -13.268   5.288  -6.842
  344   2HG   GLN  45          2HG       GLN  45 -13.353   6.423  -5.497
  345   1HE2  GLN  45          1HE2      GLN  45 -12.051   5.994  -8.419
  346   2HE2  GLN  45          2HE2      GLN  45 -10.607   6.927  -8.265
  347    H    VAL  46           H        VAL  46 -13.199   2.094  -6.976
  348    HA   VAL  46           HA       VAL  46 -12.468  -0.359  -5.613
  349    HB   VAL  46           HB       VAL  46 -12.392   0.088  -8.598
  350   1HG1  VAL  46          1HG1      VAL  46 -13.254  -2.421  -8.287
  351   2HG1  VAL  46          2HG1      VAL  46 -12.350  -2.246  -6.782
  352   3HG1  VAL  46          3HG1      VAL  46 -11.543  -1.991  -8.331
  353   1HG2  VAL  46          1HG2      VAL  46 -14.835  -1.163  -7.696
  354   2HG2  VAL  46          2HG2      VAL  46 -14.604   0.205  -8.787
  355   3HG2  VAL  46          3HG2      VAL  46 -14.671   0.467  -7.044
  356    H    VAL  47           H        VAL  47 -10.408  -0.894  -5.145
  357    HA   VAL  47           HA       VAL  47  -8.269   0.391  -6.716
  358    HB   VAL  47           HB       VAL  47  -7.978  -0.335  -3.801
  359   1HG1  VAL  47          1HG1      VAL  47  -6.389   1.734  -5.251
  360   2HG1  VAL  47          2HG1      VAL  47  -6.006   0.027  -5.471
  361   3HG1  VAL  47          3HG1      VAL  47  -5.946   0.744  -3.861
  362   1HG2  VAL  47          1HG2      VAL  47  -8.233   2.074  -3.304
  363   2HG2  VAL  47          2HG2      VAL  47  -9.719   1.337  -3.904
  364   3HG2  VAL  47          3HG2      VAL  47  -8.738   2.340  -4.974
  365    H    TYR  48           H        TYR  48  -6.994  -0.962  -7.747
  366    HA   TYR  48           HA       TYR  48  -7.027  -3.807  -7.109
  367   1HB   TYR  48          2HB       TYR  48  -5.950  -2.227  -9.447
  368   2HB   TYR  48          1HB       TYR  48  -5.567  -3.921  -9.225
  369    HD1  TYR  48           HD1      TYR  48  -6.519  -4.784 -11.175
  370    HD2  TYR  48           HD2      TYR  48  -8.932  -2.386  -8.609
  371    HE1  TYR  48           HE1      TYR  48  -8.513  -5.413 -12.464
  372    HE2  TYR  48           HE2      TYR  48 -10.925  -3.013  -9.897
  373    HH   TYR  48           HH       TYR  48 -11.315  -5.425 -11.634
  374    H    VAL  49           H        VAL  49  -5.440  -4.768  -5.976
  375    HA   VAL  49           HA       VAL  49  -3.077  -3.209  -5.265
  376    HB   VAL  49           HB       VAL  49  -3.906  -5.944  -4.261
  377   1HG1  VAL  49          1HG1      VAL  49  -1.879  -5.977  -3.340
  378   2HG1  VAL  49          2HG1      VAL  49  -2.393  -4.628  -2.328
  379   3HG1  VAL  49          3HG1      VAL  49  -1.551  -4.320  -3.846
  380   1HG2  VAL  49          1HG2      VAL  49  -5.595  -4.765  -3.337
  381   2HG2  VAL  49          2HG2      VAL  49  -4.760  -3.222  -3.514
  382   3HG2  VAL  49          3HG2      VAL  49  -4.352  -4.297  -2.178
  383    H    PHE  50           H        PHE  50  -1.183  -3.441  -6.255
  384    HA   PHE  50           HA       PHE  50  -0.764  -5.795  -7.960
  385   1HB   PHE  50          1HB       PHE  50   0.346  -2.998  -8.097
  386   2HB   PHE  50          2HB       PHE  50   1.066  -4.328  -8.997
  387    HD1  PHE  50           HD1      PHE  50  -2.114  -2.448  -8.544
  388    HD2  PHE  50           HD2      PHE  50   0.211  -4.981 -11.056
  389    HE1  PHE  50           HE1      PHE  50  -3.723  -2.108 -10.372
  390    HE2  PHE  50           HE2      PHE  50  -1.397  -4.642 -12.888
  391    HZ   PHE  50           HZ       PHE  50  -3.365  -3.203 -12.547
  392    H    SER  51           H        SER  51   0.421  -4.216  -5.128
  393    HA   SER  51           HA       SER  51   2.322  -6.344  -4.699
  394   1HB   SER  51          2HB       SER  51   4.259  -4.839  -4.334
  395   2HB   SER  51          1HB       SER  51   3.725  -4.859  -6.013
  396    HG   SER  51           HG       SER  51   2.530  -2.908  -5.485
  397    H    LYS  52           H        LYS  52   2.723  -6.734  -2.584
  398    HA   LYS  52           HA       LYS  52   1.600  -4.822  -0.623
  399   1HB   LYS  52          2HB       LYS  52   1.862  -7.801  -0.199
  400   2HB   LYS  52          1HB       LYS  52   0.982  -6.653   0.789
  401   1HG   LYS  52          1HG       LYS  52  -0.650  -6.326  -0.950
  402   2HG   LYS  52          2HG       LYS  52   0.266  -7.365  -2.046
  403   1HD   LYS  52          1HD       LYS  52  -0.086  -9.258  -0.520
  404   2HD   LYS  52          2HD       LYS  52  -1.025  -8.212   0.549
  405   1HE   LYS  52          2HE       LYS  52  -2.646  -7.834  -1.241
  406   2HE   LYS  52          1HE       LYS  52  -1.705  -8.872  -2.317
  407   1HZ   LYS  52          1HZ       LYS  52  -3.711  -9.866  -1.098
  408   2HZ   LYS  52          2HZ       LYS  52  -2.707  -9.895   0.263
  409   3HZ   LYS  52          3HZ       LYS  52  -2.273 -10.757  -1.126
  410    H    LEU  53           H        LEU  53   3.231  -3.772   0.362
  411    HA   LEU  53           HA       LEU  53   5.892  -4.808   0.442
  412   1HB   LEU  53          1HB       LEU  53   4.764  -2.460   1.963
  413   2HB   LEU  53          2HB       LEU  53   6.459  -2.786   1.647
  414    HG   LEU  53           HG       LEU  53   4.431  -2.201  -0.516
  415   1HD1  LEU  53          1HD2      LEU  53   6.467  -0.189   0.128
  416   2HD1  LEU  53          2HD2      LEU  53   5.216  -0.408   1.353
  417   3HD1  LEU  53          3HD2      LEU  53   4.767   0.006  -0.302
  418   1HD2  LEU  53          1HD1      LEU  53   7.159  -3.107  -0.551
  419   2HD2  LEU  53          2HD1      LEU  53   7.027  -1.522  -1.314
  420   3HD2  LEU  53          3HD1      LEU  53   6.041  -2.865  -1.894
  421    H    LYS  54           H        LYS  54   7.129  -5.497   2.148
  422    HA   LYS  54           HA       LYS  54   5.782  -6.024   4.711
  423   1HB   LYS  54          2HB       LYS  54   7.471  -8.003   3.165
  424   2HB   LYS  54          1HB       LYS  54   6.932  -8.234   4.819
  425   1HG   LYS  54          2HG       LYS  54   4.575  -8.066   3.967
  426   2HG   LYS  54          1HG       LYS  54   5.248  -8.136   2.337
  427   1HD   LYS  54          2HD       LYS  54   5.743 -10.222   4.460
  428   2HD   LYS  54          1HD       LYS  54   4.478 -10.338   3.241
  429   1HE   LYS  54          2HE       LYS  54   6.173 -10.269   1.473
  430   2HE   LYS  54          1HE       LYS  54   7.439 -10.156   2.695
  431   1HZ   LYS  54          1HZ       LYS  54   7.159 -12.419   1.866
  432   2HZ   LYS  54          2HZ       LYS  54   5.553 -12.431   2.396
  433   3HZ   LYS  54          3HZ       LYS  54   6.813 -12.324   3.519
  434    H    GLY  55           H        GLY  55   7.535  -6.851   6.350
  435   1HA   GLY  55          2HA       GLY  55   9.699  -6.676   7.253
  436   2HA   GLY  55          1HA       GLY  55  10.151  -5.630   5.916
  437    H    ARG  56           H        ARG  56  10.157  -3.486   6.200
  438    HA   ARG  56           HA       ARG  56   9.816  -2.441   8.845
  439   1HB   ARG  56          1HB       ARG  56  10.372  -0.985   6.252
  440   2HB   ARG  56          2HB       ARG  56  10.530  -0.304   7.863
  441   1HG   ARG  56          2HG       ARG  56  12.135  -2.648   6.865
  442   2HG   ARG  56          1HG       ARG  56  12.679  -0.973   6.800
  443   1HD   ARG  56          2HD       ARG  56  11.956  -2.486   9.308
  444   2HD   ARG  56          1HD       ARG  56  13.593  -2.174   8.740
  445    HE   ARG  56           HE       ARG  56  11.908  -0.384  10.178
  446   1HH1  ARG  56          1HH1      ARG  56  14.472  -0.447   7.778
  447   2HH1  ARG  56          2HH1      ARG  56  14.983   1.170   8.119
  448   1HH2  ARG  56          1HH2      ARG  56  12.599   1.732  10.607
  449   2HH2  ARG  56          2HH2      ARG  56  13.925   2.402   9.718
  450    H    GLY  57           H        GLY  57   7.803  -2.745   6.090
  451   1HA   GLY  57          1HA       GLY  57   5.683  -1.269   7.464
  452   2HA   GLY  57          2HA       GLY  57   6.089  -0.780   5.824
  453    H    ARG  58           H        ARG  58   5.276  -3.690   7.699
  454    HA   ARG  58           HA       ARG  58   4.338  -5.123   5.421
  455   1HB   ARG  58          1HB       ARG  58   3.570  -6.803   7.065
  456   2HB   ARG  58          2HB       ARG  58   5.249  -6.350   7.287
  457   1HG   ARG  58          1HG       ARG  58   4.700  -6.181   9.440
  458   2HG   ARG  58          2HG       ARG  58   3.982  -4.641   8.975
  459   1HD   ARG  58          2HD       ARG  58   2.401  -5.913  10.288
  460   2HD   ARG  58          1HD       ARG  58   1.824  -5.761   8.629
  461    HE   ARG  58           HE       ARG  58   3.253  -8.156   8.851
  462   1HH1  ARG  58          1HH1      ARG  58   0.256  -6.759  10.020
  463   2HH1  ARG  58          2HH1      ARG  58  -0.539  -8.290  10.157
  464   1HH2  ARG  58          1HH2      ARG  58   2.193 -10.155   9.036
  465   2HH2  ARG  58          2HH2      ARG  58   0.557 -10.212   9.601
  466    H    LEU  59           H        LEU  59   2.977  -2.588   7.054
  467    HA   LEU  59           HA       LEU  59   0.217  -3.493   6.642
  468   1HB   LEU  59          1HB       LEU  59   1.238  -1.003   8.025
  469   2HB   LEU  59          2HB       LEU  59  -0.441  -1.487   7.908
  470    HG   LEU  59           HG       LEU  59   0.496  -3.668   9.134
  471   1HD1  LEU  59          1HD2      LEU  59   2.814  -2.372   9.049
  472   2HD1  LEU  59          2HD2      LEU  59   2.365  -3.400  10.411
  473   3HD1  LEU  59          3HD2      LEU  59   2.171  -1.650  10.525
  474   1HD2  LEU  59          1HD1      LEU  59  -0.209  -2.658  11.242
  475   2HD2  LEU  59          2HD1      LEU  59  -1.301  -2.210   9.931
  476   3HD2  LEU  59          3HD1      LEU  59  -0.105  -1.054  10.516
  477    H    PHE  60           H        PHE  60   2.637  -1.870   5.033
  478    HA   PHE  60           HA       PHE  60   0.836  -0.027   3.656
  479   1HB   PHE  60          2HB       PHE  60   3.840  -0.307   3.646
  480   2HB   PHE  60          1HB       PHE  60   2.983   0.751   2.534
  481    HD1  PHE  60           HD1      PHE  60   2.329   2.894   3.181
  482    HD2  PHE  60           HD2      PHE  60   3.589   0.110   6.147
  483    HE1  PHE  60           HE1      PHE  60   2.352   4.693   4.857
  484    HE2  PHE  60           HE2      PHE  60   3.609   1.906   7.828
  485    HZ   PHE  60           HZ       PHE  60   2.990   4.201   7.185
  486    H    TRP  61           H        TRP  61   0.043  -0.368   1.736
  487    HA   TRP  61           HA       TRP  61   1.088  -2.590   0.111
  488   1HB   TRP  61          2HB       TRP  61  -1.722  -1.607   0.574
  489   2HB   TRP  61          1HB       TRP  61  -1.319  -2.535  -0.863
  490    HD1  TRP  61           HD1      TRP  61   0.727  -4.056   1.745
  491    HE1  TRP  61           HE1      TRP  61  -0.414  -6.119   2.755
  492    HE3  TRP  61           HE3      TRP  61  -4.031  -3.308   0.003
  493    HZ2  TRP  61           HZ2      TRP  61  -2.975  -7.276   2.832
  494    HZ3  TRP  61           HZ3      TRP  61  -5.764  -4.946   0.603
  495    HH2  TRP  61           HH2      TRP  61  -5.246  -6.887   1.987
  496    H    GLY  62           H        GLY  62   0.124  -2.216  -2.295
  497   1HA   GLY  62          1HA       GLY  62   0.195   0.550  -3.140
  498   2HA   GLY  62          2HA       GLY  62   1.668  -0.373  -3.560
  499    H    GLY  63           H        GLY  63  -0.142   0.840  -5.390
  500   1HA   GLY  63          2HA       GLY  63  -0.334  -0.984  -7.402
  501   2HA   GLY  63          1HA       GLY  63  -1.845  -1.176  -6.527
  502    H    SER  64           H        SER  64  -3.174  -0.414  -8.119
  503    HA   SER  64           HA       SER  64  -3.008   2.478  -8.637
  504   1HB   SER  64          2HB       SER  64  -2.215   1.308 -10.650
  505   2HB   SER  64          1HB       SER  64  -3.700   0.357 -10.688
  506    HG   SER  64           HG       SER  64  -4.817   2.081 -11.330
  507    H    VAL  65           H        VAL  65  -5.038   3.518  -8.997
  508    HA   VAL  65           HA       VAL  65  -7.279   2.010  -7.850
  509    HB   VAL  65           HB       VAL  65  -6.652   3.948  -6.528
  510   1HG1  VAL  65          1HG1      VAL  65  -7.408   5.759  -8.802
  511   2HG1  VAL  65          2HG1      VAL  65  -5.744   5.253  -8.509
  512   3HG1  VAL  65          3HG1      VAL  65  -6.616   6.171  -7.281
  513   1HG2  VAL  65          1HG2      VAL  65  -9.223   3.379  -7.440
  514   2HG2  VAL  65          2HG2      VAL  65  -9.096   5.138  -7.480
  515   3HG2  VAL  65          3HG2      VAL  65  -8.779   4.264  -5.981
  516    H    GLN  66           H        GLN  66  -9.014   1.561  -8.980
  517    HA   GLN  66           HA       GLN  66  -9.276   2.623 -11.699
  518   1HB   GLN  66          2HB       GLN  66  -9.213   0.134 -11.295
  519   2HB   GLN  66          1HB       GLN  66 -10.738   0.294 -10.437
  520   1HG   GLN  66          2HG       GLN  66 -11.808   1.121 -12.459
  521   2HG   GLN  66          1HG       GLN  66 -10.278   0.990 -13.329
  522   1HE2  GLN  66          1HE2      GLN  66 -10.104  -0.747 -14.532
  523   2HE2  GLN  66          2HE2      GLN  66 -10.866  -2.272 -14.251
  524    H    GLY  67           H        GLY  67 -11.234   3.493 -12.451
  525   1HA   GLY  67          2HA       GLY  67 -13.687   3.662 -11.297
  526   2HA   GLY  67          1HA       GLY  67 -12.769   4.903 -10.455
  527    H    ASP  68           H        ASP  68 -11.222   5.981 -12.362
  528    HA   ASP  68           HA       ASP  68 -13.095   6.912 -14.438
  529   1HB   ASP  68          2HB       ASP  68 -11.130   8.576 -12.846
  530   2HB   ASP  68          1HB       ASP  68 -12.039   9.163 -14.234
  531    H    TYR  69           H        TYR  69 -12.348   6.787 -16.464
  532    HA   TYR  69           HA       TYR  69  -9.449   6.690 -16.914
  533   1HB   TYR  69          2HB       TYR  69 -10.366   4.363 -16.860
  534   2HB   TYR  69          1HB       TYR  69 -11.419   4.782 -18.205
  535    HD1  TYR  69           HD1      TYR  69 -10.730   4.055 -20.276
  536    HD2  TYR  69           HD2      TYR  69  -7.758   5.002 -17.379
  537    HE1  TYR  69           HE1      TYR  69  -8.976   3.376 -21.859
  538    HE2  TYR  69           HE2      TYR  69  -5.998   4.330 -18.958
  539    HH   TYR  69           HH       TYR  69  -6.181   4.172 -21.962
  540    H    TYR  70           H        TYR  70  -9.472   8.766 -17.728
  541    HA   TYR  70           HA       TYR  70 -10.884   9.126 -20.285
  542   1HB   TYR  70          2HB       TYR  70 -10.307  11.168 -18.138
  543   2HB   TYR  70          1HB       TYR  70 -10.797  11.608 -19.767
  544    HD1  TYR  70           HD1      TYR  70 -13.062  11.644 -20.376
  545    HD2  TYR  70           HD2      TYR  70 -11.921   9.774 -16.726
  546    HE1  TYR  70           HE1      TYR  70 -15.427  11.474 -19.728
  547    HE2  TYR  70           HE2      TYR  70 -14.283   9.594 -16.074
  548    HH   TYR  70           HH       TYR  70 -16.716   9.663 -17.929
  549    H    GLY  71           H        GLY  71  -7.915   8.992 -18.691
  550   1HA   GLY  71          2HA       GLY  71  -6.479   9.537 -21.133
  551   2HA   GLY  71          1HA       GLY  71  -6.197  10.725 -19.869
  552    H    ASP  72           H        ASP  72  -4.562  10.349 -18.542
  553    HA   ASP  72           HA       ASP  72  -3.613   7.577 -18.219
  554   1HB   ASP  72          2HB       ASP  72  -1.962  10.110 -18.390
  555   2HB   ASP  72          1HB       ASP  72  -1.317   8.527 -17.967
  556    H    LEU  73           H        LEU  73  -3.987   6.892 -16.230
  557    HA   LEU  73           HA       LEU  73  -3.182   8.502 -13.970
  558   1HB   LEU  73          2HB       LEU  73  -5.265   8.417 -12.764
  559   2HB   LEU  73          1HB       LEU  73  -5.500   9.228 -14.289
  560    HG   LEU  73           HG       LEU  73  -7.455   8.000 -13.935
  561   1HD1  LEU  73          1HD1      LEU  73  -6.079   6.003 -15.665
  562   2HD1  LEU  73          2HD1      LEU  73  -6.281   7.669 -16.208
  563   3HD1  LEU  73          3HD1      LEU  73  -7.695   6.696 -15.804
  564   1HD2  LEU  73          1HD2      LEU  73  -6.546   5.285 -13.674
  565   2HD2  LEU  73          2HD2      LEU  73  -7.650   6.215 -12.660
  566   3HD2  LEU  73          3HD2      LEU  73  -5.910   6.304 -12.383
  567    H    ALA  74           H        ALA  74  -4.034   5.477 -15.384
  568    HA   ALA  74           HA       ALA  74  -3.426   4.016 -12.926
  569   1HB   ALA  74          1HB       ALA  74  -5.390   3.419 -14.427
  570   2HB   ALA  74          2HB       ALA  74  -4.327   2.096 -13.938
  571   3HB   ALA  74          3HB       ALA  74  -4.193   2.785 -15.558
  572    H    ALA  75           H        ALA  75  -1.727   5.312 -15.442
  573    HA   ALA  75           HA       ALA  75   0.094   3.206 -16.058
  574   1HB   ALA  75          1HB       ALA  75   1.519   5.213 -16.859
  575   2HB   ALA  75          2HB       ALA  75   0.071   6.163 -16.524
  576   3HB   ALA  75          3HB       ALA  75   0.011   4.847 -17.696
  577    H    ARG  76           H        ARG  76   0.044   5.854 -13.740
  578    HA   ARG  76           HA       ARG  76   2.672   5.148 -12.710
  579   1HB   ARG  76          2HB       ARG  76   2.343   7.078 -11.186
  580   2HB   ARG  76          1HB       ARG  76   2.197   7.512 -12.882
  581   1HG   ARG  76          2HG       ARG  76  -0.244   7.500 -12.671
  582   2HG   ARG  76          1HG       ARG  76  -0.087   7.080 -10.965
  583   1HD   ARG  76          2HD       ARG  76   0.997   9.580 -12.258
  584   2HD   ARG  76          1HD       ARG  76  -0.488   9.486 -11.313
  585    HE   ARG  76           HE       ARG  76   1.610   8.493  -9.753
  586   1HH1  ARG  76          1HH1      ARG  76   0.570  11.550 -11.120
  587   2HH1  ARG  76          2HH1      ARG  76   1.311  12.491  -9.872
  588   1HH2  ARG  76          1HH2      ARG  76   2.575   9.745  -8.125
  589   2HH2  ARG  76          2HH2      ARG  76   2.446  11.471  -8.177
  590    H    LEU  77           H        LEU  77   3.040   4.522 -10.534
  591    HA   LEU  77           HA       LEU  77   0.715   3.221  -9.277
  592   1HB   LEU  77          2HB       LEU  77   3.607   2.368  -9.341
  593   2HB   LEU  77          1HB       LEU  77   2.405   1.629  -8.302
  594    HG   LEU  77           HG       LEU  77   2.139   1.701 -11.309
  595   1HD1  LEU  77          1HD1      LEU  77   4.120   0.356  -9.985
  596   2HD1  LEU  77          2HD1      LEU  77   3.445  -0.093 -11.552
  597   3HD1  LEU  77          3HD1      LEU  77   2.837  -0.850 -10.080
  598   1HD2  LEU  77          1HD2      LEU  77   0.747  -0.414 -10.603
  599   2HD2  LEU  77          2HD2      LEU  77   0.042   1.199 -10.524
  600   3HD2  LEU  77          3HD2      LEU  77   0.657   0.432  -9.057
  601    H    GLY  78           H        GLY  78   0.258   3.614  -7.210
  602   1HA   GLY  78          1HA       GLY  78   2.153   5.283  -5.666
  603   2HA   GLY  78          2HA       GLY  78   0.417   5.551  -5.643
  604    H    TYR  79           H        TYR  79   1.351   5.297  -3.232
  605    HA   TYR  79           HA       TYR  79   0.854   2.492  -2.480
  606   1HB   TYR  79          2HB       TYR  79   2.592   4.496  -1.020
  607   2HB   TYR  79          1HB       TYR  79   2.261   2.849  -0.489
  608    HD1  TYR  79           HD1      TYR  79   4.762   4.723  -1.729
  609    HD2  TYR  79           HD2      TYR  79   2.682   1.154  -2.741
  610    HE1  TYR  79           HE1      TYR  79   6.717   3.955  -2.999
  611    HE2  TYR  79           HE2      TYR  79   4.626   0.372  -4.023
  612    HH   TYR  79           HH       TYR  79   6.971   0.726  -4.201
  613    H    PHE  80           H        PHE  80  -0.422   2.071  -0.690
  614    HA   PHE  80           HA       PHE  80  -1.765   4.280   0.653
  615   1HB   PHE  80          2HB       PHE  80  -4.018   3.280   0.143
  616   2HB   PHE  80          1HB       PHE  80  -3.203   3.973  -1.256
  617    HD1  PHE  80           HD1      PHE  80  -4.280   0.842   0.359
  618    HD2  PHE  80           HD2      PHE  80  -2.495   2.595  -3.088
  619    HE1  PHE  80           HE1      PHE  80  -4.564  -1.274  -0.861
  620    HE2  PHE  80           HE2      PHE  80  -2.778   0.481  -4.310
  621    HZ   PHE  80           HZ       PHE  80  -3.812  -1.455  -3.198
  622    HA   PRO  81           HA       PRO  81  -1.596   1.366   4.030
  623   1HB   PRO  81          2HB       PRO  81  -3.859   2.579   5.380
  624   2HB   PRO  81          1HB       PRO  81  -2.143   2.711   5.768
  625   1HG   PRO  81          2HG       PRO  81  -3.623   4.796   4.837
  626   2HG   PRO  81          1HG       PRO  81  -1.881   4.633   4.546
  627   1HD   PRO  81          2HD       PRO  81  -4.177   3.971   2.729
  628   2HD   PRO  81          1HD       PRO  81  -2.647   4.799   2.356
  629    H    SER  82           H        SER  82  -2.409  -0.608   4.467
  630    HA   SER  82           HA       SER  82  -4.612  -1.633   3.027
  631   1HB   SER  82          2HB       SER  82  -4.219  -3.702   4.285
  632   2HB   SER  82          1HB       SER  82  -2.692  -3.006   3.750
  633    HG   SER  82           HG       SER  82  -2.828  -3.735   6.013
  634    H    SER  83           H        SER  83  -4.414  -0.004   6.030
  635    HA   SER  83           HA       SER  83  -6.645  -1.078   7.371
  636   1HB   SER  83          1HB       SER  83  -4.909   0.215   8.512
  637   2HB   SER  83          2HB       SER  83  -5.389   1.660   7.624
  638    HG   SER  83           HG       SER  83  -6.383   1.712   9.615
  639    H    ILE  84           H        ILE  84  -6.476   1.201   4.724
  640    HA   ILE  84           HA       ILE  84  -9.203   2.109   5.273
  641    HB   ILE  84           HB       ILE  84  -8.952   3.698   3.457
  642   1HG1  ILE  84          2HG1      ILE  84  -6.059   2.931   3.194
  643   2HG1  ILE  84          1HG1      ILE  84  -7.285   2.155   2.190
  644   1HG2  ILE  84          1HG2      ILE  84  -7.043   5.019   4.471
  645   2HG2  ILE  84          2HG2      ILE  84  -6.792   3.642   5.543
  646   3HG2  ILE  84          3HG2      ILE  84  -8.325   4.513   5.572
  647   1HD1  ILE  84          1HD1      ILE  84  -6.064   4.753   1.942
  648   2HD1  ILE  84          2HD1      ILE  84  -7.825   4.855   1.972
  649   3HD1  ILE  84          3HD1      ILE  84  -7.022   3.835   0.779
  650    H    VAL  85           H        VAL  85  -7.919  -0.516   3.750
  651    HA   VAL  85           HA       VAL  85 -10.159  -0.582   1.828
  652    HB   VAL  85           HB       VAL  85  -8.852  -2.018   0.352
  653   1HG1  VAL  85          1HG1      VAL  85  -8.568   0.695   0.667
  654   2HG1  VAL  85          2HG1      VAL  85  -8.031  -0.250  -0.722
  655   3HG1  VAL  85          3HG1      VAL  85  -6.901   0.125   0.579
  656   1HG2  VAL  85          1HG2      VAL  85  -6.294  -2.024   0.818
  657   2HG2  VAL  85          2HG2      VAL  85  -7.329  -3.207   1.622
  658   3HG2  VAL  85          3HG2      VAL  85  -6.782  -1.774   2.494
  659    H    ARG  86           H        ARG  86 -11.095  -2.635   1.361
  660    HA   ARG  86           HA       ARG  86 -10.695  -4.676   3.451
  661   1HB   ARG  86          2HB       ARG  86 -12.770  -3.342   3.830
  662   2HB   ARG  86          1HB       ARG  86 -13.361  -3.896   2.270
  663   1HG   ARG  86          1HG       ARG  86 -13.728  -6.033   3.008
  664   2HG   ARG  86          2HG       ARG  86 -12.507  -5.917   4.280
  665   1HD   ARG  86          2HD       ARG  86 -13.948  -4.390   5.517
  666   2HD   ARG  86          1HD       ARG  86 -15.177  -4.518   4.260
  667    HE   ARG  86           HE       ARG  86 -15.853  -6.486   5.190
  668   1HH1  ARG  86          1HH1      ARG  86 -12.616  -5.836   6.388
  669   2HH1  ARG  86          2HH1      ARG  86 -12.611  -7.206   7.443
  670   1HH2  ARG  86          1HH2      ARG  86 -15.822  -8.273   6.584
  671   2HH2  ARG  86          2HH2      ARG  86 -14.421  -8.584   7.555
  672    H    GLU  87           H        GLU  87 -10.018  -6.503   2.568
  673    HA   GLU  87           HA       GLU  87 -10.379  -6.987  -0.269
  674   1HB   GLU  87          1HB       GLU  87  -8.787  -8.405   1.858
  675   2HB   GLU  87          2HB       GLU  87  -8.908  -8.992   0.207
  676   1HG   GLU  87          2HG       GLU  87  -7.829  -6.298   0.995
  677   2HG   GLU  87          1HG       GLU  87  -6.848  -7.725   0.673
  678    H    ASP  88           H        ASP  88 -11.753  -8.325  -1.166
  679    HA   ASP  88           HA       ASP  88 -12.986 -10.471   0.405
  680   1HB   ASP  88          1HB       ASP  88 -14.510  -8.438  -1.246
  681   2HB   ASP  88          2HB       ASP  88 -15.206  -9.932  -0.629
  682    H    GLN  89           H        GLN  89 -11.883  -9.152  -2.595
  683    HA   GLN  89           HA       GLN  89 -12.412 -11.728  -3.940
  684   1HB   GLN  89          2HB       GLN  89 -13.856 -10.086  -4.891
  685   2HB   GLN  89          1HB       GLN  89 -12.559  -8.915  -5.007
  686   1HG   GLN  89          1HG       GLN  89 -13.225  -9.847  -7.175
  687   2HG   GLN  89          2HG       GLN  89 -11.536 -10.142  -6.786
  688   1HE2  GLN  89          1HE2      GLN  89 -10.976 -11.942  -7.671
  689   2HE2  GLN  89          2HE2      GLN  89 -11.813 -13.444  -7.584
  690    H    THR  90           H        THR  90 -10.794 -12.670  -5.089
  691    HA   THR  90           HA       THR  90  -8.162 -11.328  -5.174
  692    HB   THR  90           HB       THR  90  -8.635 -14.299  -4.829
  693    HG1  THR  90           HG1      THR  90  -7.949 -12.340  -2.899
  694   1HG2  THR  90          1HG2      THR  90  -6.479 -13.891  -5.790
  695   2HG2  THR  90          2HG2      THR  90  -6.282 -14.339  -4.095
  696   3HG2  THR  90          3HG2      THR  90  -6.134 -12.651  -4.583
  697    H    LEU  91           H        LEU  91  -7.698 -10.877  -7.237
  698    HA   LEU  91           HA       LEU  91  -9.028 -12.268  -9.400
  699   1HB   LEU  91          1HB       LEU  91  -6.932 -10.142  -9.720
  700   2HB   LEU  91          2HB       LEU  91  -8.254 -10.539 -10.798
  701    HG   LEU  91           HG       LEU  91  -8.660  -9.314  -8.068
  702   1HD1  LEU  91          1HD2      LEU  91  -7.398  -7.721  -9.272
  703   2HD1  LEU  91          2HD2      LEU  91  -9.083  -7.209  -9.377
  704   3HD1  LEU  91          3HD2      LEU  91  -8.315  -8.005 -10.751
  705   1HD2  LEU  91          1HD1      LEU  91 -10.813  -8.578  -9.317
  706   2HD2  LEU  91          2HD1      LEU  91 -10.696 -10.213  -8.663
  707   3HD2  LEU  91          3HD1      LEU  91 -10.439  -9.933 -10.386
  708    H    LYS  92           H        LYS  92  -6.054 -12.607  -7.802
  709    HA   LYS  92           HA       LYS  92  -5.176 -14.739  -9.458
  710   1HB   LYS  92          2HB       LYS  92  -4.584 -12.787 -10.933
  711   2HB   LYS  92          1HB       LYS  92  -3.489 -12.230  -9.683
  712   1HG   LYS  92          2HG       LYS  92  -1.906 -13.404 -10.701
  713   2HG   LYS  92          1HG       LYS  92  -2.714 -14.853 -10.110
  714   1HD   LYS  92          1HD       LYS  92  -3.390 -13.522 -12.726
  715   2HD   LYS  92          2HD       LYS  92  -2.213 -14.822 -12.579
  716   1HE   LYS  92          2HE       LYS  92  -3.953 -16.300 -11.687
  717   2HE   LYS  92          1HE       LYS  92  -5.134 -15.000 -11.840
  718   1HZ   LYS  92          1HZ       LYS  92  -3.736 -16.456 -14.003
  719   2HZ   LYS  92          2HZ       LYS  92  -4.533 -14.990 -14.276
  720   3HZ   LYS  92          3HZ       LYS  92  -5.401 -16.335 -13.730
  721    HA   PRO  93           HA       PRO  93  -3.240 -15.699  -5.504
  722   1HB   PRO  93          1HB       PRO  93  -1.406 -17.274  -7.256
  723   2HB   PRO  93          2HB       PRO  93  -2.252 -17.776  -5.794
  724   1HG   PRO  93          2HG       PRO  93  -3.153 -18.569  -8.123
  725   2HG   PRO  93          1HG       PRO  93  -4.310 -17.937  -6.930
  726   1HD   PRO  93          1HD       PRO  93  -3.097 -16.551  -9.306
  727   2HD   PRO  93          2HD       PRO  93  -4.784 -16.584  -8.773
  728    H    GLY  94           H        GLY  94  -1.832 -14.505  -4.396
  729   1HA   GLY  94          1HA       GLY  94   0.466 -13.314  -5.801
  730   2HA   GLY  94          2HA       GLY  94  -0.237 -12.719  -4.302
  731    H    LYS  95           H        LYS  95   1.551 -15.384  -5.715
  732    HA   LYS  95           HA       LYS  95   2.809 -15.862  -3.108
  733   1HB   LYS  95          2HB       LYS  95   3.116 -18.266  -4.077
  734   2HB   LYS  95          1HB       LYS  95   1.591 -17.793  -3.341
  735   1HG   LYS  95          2HG       LYS  95   0.611 -17.414  -5.510
  736   2HG   LYS  95          1HG       LYS  95   2.154 -17.752  -6.296
  737   1HD   LYS  95          2HD       LYS  95   0.974 -19.745  -6.546
  738   2HD   LYS  95          1HD       LYS  95   1.989 -20.053  -5.139
  739   1HE   LYS  95          2HE       LYS  95  -0.871 -19.115  -4.956
  740   2HE   LYS  95          1HE       LYS  95  -0.408 -20.814  -4.951
  741   1HZ   LYS  95          1HZ       LYS  95  -0.027 -18.776  -2.884
  742   2HZ   LYS  95          2HZ       LYS  95   1.135 -19.997  -3.013
  743   3HZ   LYS  95          3HZ       LYS  95  -0.483 -20.399  -2.730
  744    H    VAL  96           H        VAL  96   3.693 -14.126  -5.337
  745    HA   VAL  96           HA       VAL  96   6.331 -15.375  -5.784
  746    HB   VAL  96           HB       VAL  96   4.913 -13.558  -7.756
  747   1HG1  VAL  96          1HG1      VAL  96   7.575 -14.968  -7.889
  748   2HG1  VAL  96          2HG1      VAL  96   7.285 -13.229  -7.889
  749   3HG1  VAL  96          3HG1      VAL  96   6.787 -14.205  -9.270
  750   1HG2  VAL  96          1HG2      VAL  96   3.920 -15.817  -7.650
  751   2HG2  VAL  96          2HG2      VAL  96   5.504 -16.507  -8.000
  752   3HG2  VAL  96          3HG2      VAL  96   4.702 -15.490  -9.197
  753    H    ASP  97           H        ASP  97   7.542 -14.338  -4.303
  754    HA   ASP  97           HA       ASP  97   7.158 -11.531  -3.722
  755   1HB   ASP  97          2HB       ASP  97   7.714 -13.306  -1.998
  756   2HB   ASP  97          1HB       ASP  97   9.339 -13.338  -2.671
  757    H    VAL  98           H        VAL  98   8.233  -9.881  -4.537
  758    HA   VAL  98           HA       VAL  98  10.779 -10.334  -5.963
  759    HB   VAL  98           HB       VAL  98   8.647  -8.356  -6.844
  760   1HG1  VAL  98          1HG1      VAL  98  10.925  -7.708  -7.442
  761   2HG1  VAL  98          2HG1      VAL  98   9.995  -8.149  -8.874
  762   3HG1  VAL  98          3HG1      VAL  98  11.178  -9.275  -8.209
  763   1HG2  VAL  98          1HG2      VAL  98   8.868 -11.193  -7.371
  764   2HG2  VAL  98          2HG2      VAL  98   8.947 -10.246  -8.857
  765   3HG2  VAL  98          3HG2      VAL  98   7.569 -10.068  -7.770
  766    H    LYS  99           H        LYS  99  12.331  -8.650  -5.720
  767    HA   LYS  99           HA       LYS  99  11.994  -7.047  -3.335
  768   1HB   LYS  99          1HB       LYS  99  14.303  -7.170  -5.292
  769   2HB   LYS  99          2HB       LYS  99  14.328  -6.368  -3.731
  770   1HG   LYS  99          2HG       LYS  99  14.055  -8.464  -2.594
  771   2HG   LYS  99          1HG       LYS  99  13.914  -9.316  -4.131
  772   1HD   LYS  99          2HD       LYS  99  16.139  -9.655  -3.382
  773   2HD   LYS  99          1HD       LYS  99  16.232  -8.457  -4.673
  774   1HE   LYS  99          2HE       LYS  99  16.352  -6.669  -2.999
  775   2HE   LYS  99          1HE       LYS  99  16.255  -7.868  -1.711
  776   1HZ   LYS  99          1HZ       LYS  99  18.395  -8.451  -1.976
  777   2HZ   LYS  99          2HZ       LYS  99  18.545  -6.921  -2.682
  778   3HZ   LYS  99          3HZ       LYS  99  18.362  -8.289  -3.660
  779    H    THR 100           H        THR 100  12.516  -4.710  -3.295
  780    HA   THR 100           HA       THR 100  11.285  -3.350  -5.593
  781    HB   THR 100           HB       THR 100  10.843  -1.487  -4.095
  782    HG1  THR 100           HG1      THR 100  11.500  -1.592  -1.928
  783   1HG2  THR 100          1HG2      THR 100   9.767  -4.067  -3.648
  784   2HG2  THR 100          2HG2      THR 100   9.031  -2.493  -3.345
  785   3HG2  THR 100          3HG2      THR 100   9.978  -3.281  -2.082
  786    H    ASP 101           H        ASP 101  12.271  -1.688  -6.668
  787    HA   ASP 101           HA       ASP 101  15.151  -1.412  -6.247
  788   1HB   ASP 101          2HB       ASP 101  15.068  -0.262  -8.512
  789   2HB   ASP 101          1HB       ASP 101  14.646  -1.970  -8.502
  790    H    LYS 102           H        LYS 102  15.867   0.983  -7.065
  791    HA   LYS 102           HA       LYS 102  14.910   2.717  -4.994
  792   1HB   LYS 102          2HB       LYS 102  16.596   4.298  -5.790
  793   2HB   LYS 102          1HB       LYS 102  17.276   2.691  -5.590
  794   1HG   LYS 102          1HG       LYS 102  17.286   2.323  -7.951
  795   2HG   LYS 102          2HG       LYS 102  16.372   3.803  -8.238
  796   1HD   LYS 102          2HD       LYS 102  19.081   3.840  -6.935
  797   2HD   LYS 102          1HD       LYS 102  18.891   3.853  -8.687
  798   1HE   LYS 102          2HE       LYS 102  19.111   6.114  -8.070
  799   2HE   LYS 102          1HE       LYS 102  17.388   5.882  -8.361
  800   1HZ   LYS 102          1HZ       LYS 102  16.890   6.159  -6.181
  801   2HZ   LYS 102          2HZ       LYS 102  18.296   7.098  -6.221
  802   3HZ   LYS 102          3HZ       LYS 102  18.354   5.514  -5.627
  803    H    TRP 103           H        TRP 103  14.048   2.244  -8.280
  804    HA   TRP 103           HA       TRP 103  13.052   4.915  -8.718
  805   1HB   TRP 103          2HB       TRP 103  12.597   2.405 -10.349
  806   2HB   TRP 103          1HB       TRP 103  12.221   4.046 -10.855
  807    HD1  TRP 103           HD1      TRP 103  15.189   1.691 -10.313
  808    HE1  TRP 103           HE1      TRP 103  17.250   2.662 -11.508
  809    HE3  TRP 103           HE3      TRP 103  13.271   6.231 -11.691
  810    HZ2  TRP 103           HZ2      TRP 103  17.971   5.033 -12.849
  811    HZ3  TRP 103           HZ3      TRP 103  14.717   7.792 -12.928
  812    HH2  TRP 103           HH2      TRP 103  17.017   7.203 -13.495
  813    H    ASP 104           H        ASP 104  11.924   2.392  -6.904
  814    HA   ASP 104           HA       ASP 104   9.120   2.608  -7.540
  815   1HB   ASP 104          2HB       ASP 104  10.727   1.062  -5.544
  816   2HB   ASP 104          1HB       ASP 104   8.991   1.212  -5.313
  817    H    PHE 105           H        PHE 105  11.323   4.118  -5.304
  818    HA   PHE 105           HA       PHE 105   9.118   5.776  -4.333
  819   1HB   PHE 105          2HB       PHE 105  10.571   5.600  -2.030
  820   2HB   PHE 105          1HB       PHE 105   9.122   4.660  -2.369
  821    HD1  PHE 105           HD1      PHE 105  12.858   4.511  -2.600
  822    HD2  PHE 105           HD2      PHE 105   9.192   2.348  -2.370
  823    HE1  PHE 105           HE1      PHE 105  14.109   2.415  -2.346
  824    HE2  PHE 105           HE2      PHE 105  10.446   0.252  -2.104
  825    HZ   PHE 105           HZ       PHE 105  12.907   0.283  -2.094
  826    H    TYR 106           H        TYR 106  10.486   6.842  -6.181
  827    HA   TYR 106           HA       TYR 106  12.017   8.936  -4.894
  828   1HB   TYR 106          2HB       TYR 106  13.818   7.415  -5.391
  829   2HB   TYR 106          1HB       TYR 106  13.225   7.148  -7.020
  830    HD1  TYR 106           HD1      TYR 106  14.774   7.904  -8.522
  831    HD2  TYR 106           HD2      TYR 106  14.000  10.310  -5.087
  832    HE1  TYR 106           HE1      TYR 106  16.291   9.630  -9.390
  833    HE2  TYR 106           HE2      TYR 106  15.510  12.038  -5.962
  834    HH   TYR 106           HH       TYR 106  17.741  11.702  -7.954
  835    H    CYS 107           H        CYS 107  10.742  10.570  -5.499
  836    HA   CYS 107           HA       CYS 107   9.901  10.775  -8.310
  837   1HB   CYS 107          2HB       CYS 107   8.786  12.020  -5.792
  838   2HB   CYS 107          1HB       CYS 107   8.278  12.504  -7.407
  839    H    GLN 108           HN       GLN 108  10.146  12.746  -9.434
  840    HA   GLN 108           HA       GLN 108  12.179  14.547  -8.290
  841   1HB   GLN 108          2HB       GLN 108  11.819  13.673 -11.159
  842   2HB   GLN 108          1HB       GLN 108  12.904  14.961 -10.652
  843   1HG   GLN 108          2HG       GLN 108  14.084  13.314  -9.209
  844   2HG   GLN 108          1HG       GLN 108  13.068  12.052  -9.895
  845   1HE2  GLN 108          1HE2      GLN 108  13.456  13.999 -12.459
  846   2HE2  GLN 108          2HE2      GLN 108  14.911  13.353 -13.122
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1   6.394  15.845  -4.800
    2   2H    MET   1          2HT       MET   1   7.034  14.475  -4.044
    3   3H    MET   1          3HT       MET   1   5.703  14.324  -5.077
    4    HA   MET   1           HA       MET   1   7.423  13.598  -6.401
    5   1HB   MET   1          2HB       MET   1   7.130  16.579  -6.849
    6   2HB   MET   1          1HB       MET   1   7.798  15.453  -8.021
    7   1HG   MET   1          1HG       MET   1   5.660  14.276  -8.115
    8   2HG   MET   1          2HG       MET   1   4.991  15.402  -6.935
    9   1HE   MET   1          1HE       MET   1   3.643  14.983 -10.114
   10   2HE   MET   1          2HE       MET   1   3.025  16.624  -9.926
   11   3HE   MET   1          3HE       MET   1   3.090  15.541  -8.535
   12    H    GLY   2           H        GLY   2   9.508  13.109  -6.411
   13   1HA   GLY   2          2HA       GLY   2  11.777  14.387  -6.520
   14   2HA   GLY   2          1HA       GLY   2  11.363  14.779  -4.860
   15    HA   PRO   3           HA       PRO   3  13.361  10.551  -4.972
   16   1HB   PRO   3          2HB       PRO   3  16.028  11.248  -4.694
   17   2HB   PRO   3          1HB       PRO   3  15.229  10.856  -6.213
   18   1HG   PRO   3          1HG       PRO   3  16.276  13.372  -5.385
   19   2HG   PRO   3          2HG       PRO   3  15.451  12.983  -6.898
   20   1HD   PRO   3          1HD       PRO   3  14.405  14.273  -4.463
   21   2HD   PRO   3          2HD       PRO   3  13.820  14.357  -6.134
   22    H    MET   4           H        MET   4  12.105  11.420  -2.829
   23    HA   MET   4           HA       MET   4  13.914  11.817  -0.612
   24   1HB   MET   4          2HB       MET   4  11.996  12.227   0.732
   25   2HB   MET   4          1HB       MET   4  11.664  12.960  -0.819
   26   1HG   MET   4          2HG       MET   4  10.607  10.259  -0.080
   27   2HG   MET   4          1HG       MET   4   9.770  11.754   0.331
   28   1HE   MET   4          1HE       MET   4  10.630   9.769  -3.527
   29   2HE   MET   4          2HE       MET   4   9.285   9.074  -2.620
   30   3HE   MET   4          3HE       MET   4  10.865   9.272  -1.845
   31    HA   PRO   5           HA       PRO   5  14.513   7.680   0.875
   32   1HB   PRO   5          1HB       PRO   5  13.273   7.435   3.326
   33   2HB   PRO   5          2HB       PRO   5  14.854   8.169   3.053
   34   1HG   PRO   5          2HG       PRO   5  12.187   9.473   3.360
   35   2HG   PRO   5          1HG       PRO   5  13.758   9.957   4.028
   36   1HD   PRO   5          1HD       PRO   5  12.723  11.166   1.886
   37   2HD   PRO   5          2HD       PRO   5  14.468  10.874   2.015
   38    H    LYS   6           H        LYS   6  13.752   5.596   1.142
   39    HA   LYS   6           HA       LYS   6  11.082   5.111   0.084
   40   1HB   LYS   6          1HB       LYS   6  13.311   3.156   0.683
   41   2HB   LYS   6          2HB       LYS   6  11.862   2.831  -0.255
   42   1HG   LYS   6          2HG       LYS   6  12.599   4.384  -1.971
   43   2HG   LYS   6          1HG       LYS   6  14.032   4.773  -1.022
   44   1HD   LYS   6          1HD       LYS   6  13.398   1.982  -1.964
   45   2HD   LYS   6          2HD       LYS   6  14.365   3.118  -2.907
   46   1HE   LYS   6          1HE       LYS   6  15.970   3.282  -1.063
   47   2HE   LYS   6          2HE       LYS   6  15.003   2.146  -0.121
   48   1HZ   LYS   6          1HZ       LYS   6  15.970   1.366  -2.786
   49   2HZ   LYS   6          2HZ       LYS   6  15.599   0.392  -1.455
   50   3HZ   LYS   6          3HZ       LYS   6  17.026   1.301  -1.466
   51    H    LEU   7           H        LEU   7  10.173   2.877   1.015
   52    HA   LEU   7           HA       LEU   7   9.982   3.223   3.936
   53   1HB   LEU   7          2HB       LEU   7   7.985   1.982   2.029
   54   2HB   LEU   7          1HB       LEU   7   7.807   2.022   3.767
   55    HG   LEU   7           HG       LEU   7   6.382   3.693   2.945
   56   1HD1  LEU   7          1HD1      LEU   7   8.833   5.268   3.676
   57   2HD1  LEU   7          2HD1      LEU   7   7.869   4.374   4.851
   58   3HD1  LEU   7          3HD1      LEU   7   7.142   5.695   3.936
   59   1HD2  LEU   7          1HD2      LEU   7   7.932   5.531   1.521
   60   2HD2  LEU   7          2HD2      LEU   7   6.647   4.491   0.908
   61   3HD2  LEU   7          3HD2      LEU   7   8.322   3.943   0.861
   62    H    ALA   8           H        ALA   8  10.076   0.828   1.336
   63    HA   ALA   8           HA       ALA   8  11.350  -1.067   3.193
   64   1HB   ALA   8          1HB       ALA   8   9.878  -2.763   2.807
   65   2HB   ALA   8          2HB       ALA   8   9.469  -2.193   1.190
   66   3HB   ALA   8          3HB       ALA   8   8.776  -1.402   2.606
   67    H    ASP   9           H        ASP   9  11.819  -3.176   1.549
   68    HA   ASP   9           HA       ASP   9  13.283  -2.031  -0.729
   69   1HB   ASP   9          2HB       ASP   9  15.074  -3.723  -0.321
   70   2HB   ASP   9          1HB       ASP   9  14.926  -2.515   0.944
   71    H    ARG  10           H        ARG  10  11.307  -4.641   0.463
   72    HA   ARG  10           HA       ARG  10  11.112  -5.672  -2.282
   73   1HB   ARG  10          2HB       ARG  10  11.429  -7.380   0.182
   74   2HB   ARG  10          1HB       ARG  10  10.968  -7.996  -1.390
   75   1HG   ARG  10          2HG       ARG  10  13.108  -7.251  -2.306
   76   2HG   ARG  10          1HG       ARG  10  13.570  -6.641  -0.713
   77   1HD   ARG  10          1HD       ARG  10  13.339  -8.920   0.194
   78   2HD   ARG  10          2HD       ARG  10  12.957  -9.508  -1.422
   79    HE   ARG  10           HE       ARG  10  15.183  -9.507  -1.896
   80   1HH1  ARG  10          1HH1      ARG  10  14.722  -7.430   0.899
   81   2HH1  ARG  10          2HH1      ARG  10  16.417  -7.153   1.111
   82   1HH2  ARG  10          1HH2      ARG  10  17.397  -9.131  -1.593
   83   2HH2  ARG  10          2HH2      ARG  10  17.930  -8.114  -0.296
   84    H    LYS  11           H        LYS  11   9.162  -6.830  -2.743
   85    HA   LYS  11           HA       LYS  11   6.923  -6.361  -0.901
   86   1HB   LYS  11          2HB       LYS  11   5.586  -5.568  -2.868
   87   2HB   LYS  11          1HB       LYS  11   6.899  -4.488  -2.411
   88   1HG   LYS  11          1HG       LYS  11   8.258  -5.756  -4.206
   89   2HG   LYS  11          2HG       LYS  11   6.681  -6.287  -4.790
   90   1HD   LYS  11          2HD       LYS  11   5.980  -4.008  -5.109
   91   2HD   LYS  11          1HD       LYS  11   7.477  -3.415  -4.386
   92   1HE   LYS  11          2HE       LYS  11   8.761  -4.423  -6.196
   93   2HE   LYS  11          1HE       LYS  11   7.275  -5.041  -6.917
   94   1HZ   LYS  11          1HZ       LYS  11   7.502  -2.160  -6.412
   95   2HZ   LYS  11          2HZ       LYS  11   6.649  -2.975  -7.624
   96   3HZ   LYS  11          3HZ       LYS  11   8.330  -2.814  -7.735
   97    H    LEU  12           H        LEU  12   4.843  -7.386  -1.983
   98    HA   LEU  12           HA       LEU  12   5.563 -10.045  -3.032
   99   1HB   LEU  12          2HB       LEU  12   3.452  -9.263  -1.032
  100   2HB   LEU  12          1HB       LEU  12   3.291 -10.725  -1.975
  101    HG   LEU  12           HG       LEU  12   4.122 -11.332   0.168
  102   1HD1  LEU  12          1HD2      LEU  12   6.719 -11.460  -1.215
  103   2HD1  LEU  12          2HD2      LEU  12   5.338 -12.122  -2.088
  104   3HD1  LEU  12          3HD2      LEU  12   5.748 -12.741  -0.488
  105   1HD2  LEU  12          1HD1      LEU  12   6.642  -9.834   0.045
  106   2HD2  LEU  12          2HD1      LEU  12   5.602 -10.213   1.418
  107   3HD2  LEU  12          3HD1      LEU  12   5.193  -8.874   0.345
  108    H    CYS  13           H        CYS  13   4.996 -10.198  -5.079
  109    HA   CYS  13           HA       CYS  13   2.491  -8.938  -5.990
  110   1HB   CYS  13          2HB       CYS  13   4.991  -9.532  -7.592
  111   2HB   CYS  13          1HB       CYS  13   3.510  -8.836  -8.237
  112    H    ALA  14           H        ALA  14   1.770 -10.101  -8.149
  113    HA   ALA  14           HA       ALA  14   1.340 -12.880  -7.454
  114   1HB   ALA  14          1HB       ALA  14  -0.608 -11.848  -8.224
  115   2HB   ALA  14          2HB       ALA  14  -0.062 -12.800  -9.606
  116   3HB   ALA  14          3HB       ALA  14   0.228 -11.061  -9.563
  117    H    ASP  15           H        ASP  15   3.336 -11.018  -9.536
  118    HA   ASP  15           HA       ASP  15   4.718 -13.396 -10.434
  119   1HB   ASP  15          1HB       ASP  15   4.698 -12.740 -12.812
  120   2HB   ASP  15          2HB       ASP  15   3.089 -13.120 -12.222
  121    H    GLN  16           H        GLN  16   6.683 -12.690 -11.811
  122    HA   GLN  16           HA       GLN  16   8.242 -10.970 -10.216
  123   1HB   GLN  16          1HB       GLN  16  10.025 -11.336 -11.853
  124   2HB   GLN  16          2HB       GLN  16   9.238 -12.836 -11.376
  125   1HG   GLN  16          2HG       GLN  16   7.953 -12.836 -13.422
  126   2HG   GLN  16          1HG       GLN  16   8.681 -11.304 -13.897
  127   1HE2  GLN  16          1HE2      GLN  16  10.340 -11.427 -15.214
  128   2HE2  GLN  16          2HE2      GLN  16  11.377 -12.792 -15.430
  129    H    GLU  17           H        GLU  17   6.183 -10.248 -12.847
  130    HA   GLU  17           HA       GLU  17   7.564  -7.766 -13.507
  131   1HB   GLU  17          2HB       GLU  17   5.074  -9.055 -14.629
  132   2HB   GLU  17          1HB       GLU  17   5.670  -7.495 -15.159
  133   1HG   GLU  17          1HG       GLU  17   7.197 -10.087 -15.339
  134   2HG   GLU  17          2HG       GLU  17   6.305  -9.336 -16.662
  135    H    CYS  18           H        CYS  18   5.117  -8.842 -11.387
  136    HA   CYS  18           HA       CYS  18   3.600  -7.828 -10.032
  137   1HB   CYS  18          1HB       CYS  18   5.433  -5.451 -10.452
  138   2HB   CYS  18          2HB       CYS  18   4.124  -5.492  -9.276
  139    H    SER  19           H        SER  19   3.199  -7.878 -12.894
  140    HA   SER  19           HA       SER  19   1.683  -5.470 -13.483
  141   1HB   SER  19          2HB       SER  19   3.164  -6.234 -15.213
  142   2HB   SER  19          1HB       SER  19   2.464  -7.839 -15.156
  143    HG   SER  19           HG       SER  19   0.905  -7.187 -16.412
  144    H    HIS  20           H        HIS  20   1.142  -8.439 -12.072
  145    HA   HIS  20           HA       HIS  20  -1.636  -8.638 -12.989
  146   1HB   HIS  20          2HB       HIS  20   0.298 -10.533 -11.761
  147   2HB   HIS  20          1HB       HIS  20  -1.401 -10.765 -11.389
  148    HD1  HIS  20           HD1      HIS  20  -0.782 -13.076 -12.657
  149    HD2  HIS  20           HD2      HIS  20  -1.101  -9.680 -15.025
  150    HE1  HIS  20           HE1      HIS  20  -1.199 -13.921 -14.970
  151    HE2  HIS  20           HE2      HIS  20  -1.451 -11.852 -16.391
  152    HA   PRO  21           HA       PRO  21  -2.939  -7.131  -8.981
  153   1HB   PRO  21          1HB       PRO  21  -5.617  -7.436  -9.313
  154   2HB   PRO  21          2HB       PRO  21  -4.677  -6.193 -10.139
  155   1HG   PRO  21          1HG       PRO  21  -5.964  -8.554 -11.249
  156   2HG   PRO  21          2HG       PRO  21  -5.271  -7.160 -12.093
  157   1HD   PRO  21          1HD       PRO  21  -4.105  -9.798 -11.608
  158   2HD   PRO  21          2HD       PRO  21  -3.563  -8.509 -12.710
  159    H    ILE  22           H        ILE  22  -2.985  -8.049  -7.014
  160    HA   ILE  22           HA       ILE  22  -3.396 -10.861  -6.731
  161    HB   ILE  22           HB       ILE  22  -3.067  -8.807  -4.531
  162   1HG1  ILE  22          2HG1      ILE  22  -0.946 -10.588  -5.754
  163   2HG1  ILE  22          1HG1      ILE  22  -1.202  -8.916  -6.251
  164   1HG2  ILE  22          1HG2      ILE  22  -2.166 -11.586  -4.134
  165   2HG2  ILE  22          2HG2      ILE  22  -3.914 -11.378  -4.255
  166   3HG2  ILE  22          3HG2      ILE  22  -3.002 -10.496  -3.028
  167   1HD1  ILE  22          1HD1      ILE  22   0.589  -8.877  -4.738
  168   2HD1  ILE  22          2HD1      ILE  22  -0.243  -9.936  -3.599
  169   3HD1  ILE  22          3HD1      ILE  22  -0.805  -8.281  -3.837
  170    H    SER  23           H        SER  23  -5.052  -8.107  -5.128
  171    HA   SER  23           HA       SER  23  -7.557  -9.612  -5.349
  172   1HB   SER  23          2HB       SER  23  -6.659 -10.133  -3.134
  173   2HB   SER  23          1HB       SER  23  -6.512  -8.414  -2.774
  174    HG   SER  23           HG       SER  23  -8.706  -8.234  -2.734
  175    H    MET  24           H        MET  24  -9.415  -8.416  -5.408
  176    HA   MET  24           HA       MET  24  -9.094  -5.573  -6.008
  177   1HB   MET  24          1HB       MET  24 -10.311  -7.132  -7.568
  178   2HB   MET  24          2HB       MET  24 -11.540  -7.319  -6.326
  179   1HG   MET  24          2HG       MET  24 -10.845  -4.571  -7.193
  180   2HG   MET  24          1HG       MET  24 -11.772  -5.582  -8.292
  181   1HE   MET  24          1HE       MET  24 -13.757  -6.804  -7.737
  182   2HE   MET  24          2HE       MET  24 -15.098  -6.076  -6.849
  183   3HE   MET  24          3HE       MET  24 -13.985  -7.172  -6.027
  184    H    ALA  25           H        ALA  25  -9.654  -4.054  -4.547
  185    HA   ALA  25           HA       ALA  25 -11.405  -4.884  -2.324
  186   1HB   ALA  25          1HB       ALA  25  -9.660  -4.639  -0.987
  187   2HB   ALA  25          2HB       ALA  25  -9.767  -2.905  -1.295
  188   3HB   ALA  25          3HB       ALA  25  -8.691  -3.909  -2.267
  189    H    VAL  26           H        VAL  26 -12.684  -3.367  -1.341
  190    HA   VAL  26           HA       VAL  26 -13.307  -0.992  -2.988
  191    HB   VAL  26           HB       VAL  26 -15.018  -2.295  -0.849
  192   1HG1  VAL  26          1HG2      VAL  26 -15.557  -0.090  -2.829
  193   2HG1  VAL  26          2HG2      VAL  26 -15.677  -0.029  -1.070
  194   3HG1  VAL  26          3HG2      VAL  26 -16.840  -0.972  -2.001
  195   1HG2  VAL  26          1HG1      VAL  26 -16.396  -2.991  -2.888
  196   2HG2  VAL  26          2HG1      VAL  26 -14.911  -3.885  -2.569
  197   3HG2  VAL  26          3HG1      VAL  26 -14.945  -2.653  -3.830
  198    H    ALA  27           H        ALA  27 -13.131   1.055  -2.163
  199    HA   ALA  27           HA       ALA  27 -11.665   1.432   0.280
  200   1HB   ALA  27          1HB       ALA  27 -11.118   3.415  -0.580
  201   2HB   ALA  27          2HB       ALA  27 -12.799   3.837  -0.912
  202   3HB   ALA  27          3HB       ALA  27 -11.896   2.842  -2.055
  203    H    LEU  28           H        LEU  28 -12.373   1.945   2.245
  204    HA   LEU  28           HA       LEU  28 -15.241   2.159   2.688
  205   1HB   LEU  28          2HB       LEU  28 -12.952   1.904   4.639
  206   2HB   LEU  28          1HB       LEU  28 -14.632   2.011   5.109
  207    HG   LEU  28           HG       LEU  28 -14.038  -0.261   5.288
  208   1HD1  LEU  28          1HD1      LEU  28 -15.409  -0.092   2.615
  209   2HD1  LEU  28          2HD1      LEU  28 -16.210   0.185   4.162
  210   3HD1  LEU  28          3HD1      LEU  28 -15.513  -1.394   3.802
  211   1HD2  LEU  28          1HD2      LEU  28 -13.228  -0.857   2.570
  212   2HD2  LEU  28          2HD2      LEU  28 -12.485  -1.306   4.105
  213   3HD2  LEU  28          3HD2      LEU  28 -12.134   0.263   3.382
  214    H    GLN  29           H        GLN  29 -12.416   4.231   2.829
  215    HA   GLN  29           HA       GLN  29 -14.173   6.482   3.426
  216   1HB   GLN  29          2HB       GLN  29 -12.638   7.349   5.180
  217   2HB   GLN  29          1HB       GLN  29 -13.466   5.868   5.633
  218   1HG   GLN  29          2HG       GLN  29 -11.490   4.571   5.235
  219   2HG   GLN  29          1HG       GLN  29 -10.649   5.970   4.578
  220   1HE2  GLN  29          1HE2      GLN  29 -12.291   7.325   7.017
  221   2HE2  GLN  29          2HE2      GLN  29 -11.166   7.118   8.305
  222    H    ASP  30           H        ASP  30 -12.776   8.580   3.531
  223    HA   ASP  30           HA       ASP  30 -11.473   8.827   0.978
  224   1HB   ASP  30          2HB       ASP  30 -11.924  10.855   3.181
  225   2HB   ASP  30          1HB       ASP  30 -11.319  11.230   1.572
  226    H    TYR  31           H        TYR  31  -9.367   9.589   0.600
  227    HA   TYR  31           HA       TYR  31  -7.457   9.736   2.776
  228   1HB   TYR  31          2HB       TYR  31  -7.659   7.269   2.011
  229   2HB   TYR  31          1HB       TYR  31  -6.878   7.807   0.531
  230    HD1  TYR  31           HD1      TYR  31  -4.552   7.904   0.403
  231    HD2  TYR  31           HD2      TYR  31  -6.405   7.776   4.234
  232    HE1  TYR  31           HE1      TYR  31  -2.343   7.679   1.459
  233    HE2  TYR  31           HE2      TYR  31  -4.201   7.549   5.298
  234    HH   TYR  31           HH       TYR  31  -1.580   6.580   3.914
  235    H    MET  32           H        MET  32  -5.807  11.116   2.306
  236    HA   MET  32           HA       MET  32  -5.619  12.096  -0.468
  237   1HB   MET  32          2HB       MET  32  -5.128  13.590   2.113
  238   2HB   MET  32          1HB       MET  32  -4.824  14.241   0.508
  239   1HG   MET  32          1HG       MET  32  -7.511  13.348   1.533
  240   2HG   MET  32          2HG       MET  32  -6.942  15.009   1.486
  241   1HE   MET  32          1HE       MET  32  -7.006  16.065  -2.107
  242   2HE   MET  32          2HE       MET  32  -5.550  15.174  -1.663
  243   3HE   MET  32          3HE       MET  32  -6.301  16.270  -0.503
  244    H    ALA  33           H        ALA  33  -3.663  12.177  -1.437
  245    HA   ALA  33           HA       ALA  33  -1.443  10.861  -0.065
  246   1HB   ALA  33          1HB       ALA  33  -1.861   9.887  -2.138
  247   2HB   ALA  33          2HB       ALA  33  -0.461  10.922  -2.425
  248   3HB   ALA  33          3HB       ALA  33  -2.065  11.447  -2.935
  249    HA   PRO  34           HA       PRO  34   0.488  14.926   0.399
  250   1HB   PRO  34          2HB       PRO  34   2.654  13.560   1.775
  251   2HB   PRO  34          1HB       PRO  34   1.470  14.691   2.430
  252   1HG   PRO  34          2HG       PRO  34   1.506  12.062   3.076
  253   2HG   PRO  34          1HG       PRO  34   0.010  13.017   3.022
  254   1HD   PRO  34          2HD       PRO  34   1.134  11.138   0.968
  255   2HD   PRO  34          1HD       PRO  34  -0.535  11.297   1.554
  256    H    ASP  35           H        ASP  35   2.915  12.307   0.171
  257    HA   ASP  35           HA       ASP  35   4.316  13.829  -1.894
  258   1HB   ASP  35          2HB       ASP  35   6.248  12.832  -1.234
  259   2HB   ASP  35          1HB       ASP  35   5.343  12.655   0.262
  260    H    CYS  36           H        CYS  36   5.382  12.437  -3.651
  261    HA   CYS  36           HA       CYS  36   3.353  11.381  -5.283
  262   1HB   CYS  36          2HB       CYS  36   5.474  12.496  -6.029
  263   2HB   CYS  36          1HB       CYS  36   6.326  11.006  -5.642
  264    H    ARG  37           H        ARG  37   4.988   9.793  -2.748
  265    HA   ARG  37           HA       ARG  37   5.025   7.182  -3.975
  266   1HB   ARG  37          1HB       ARG  37   5.525   8.125  -1.165
  267   2HB   ARG  37          2HB       ARG  37   5.447   6.418  -1.568
  268   1HG   ARG  37          1HG       ARG  37   7.283   6.745  -3.172
  269   2HG   ARG  37          2HG       ARG  37   7.385   8.433  -2.671
  270   1HD   ARG  37          2HD       ARG  37   7.615   6.187  -0.693
  271   2HD   ARG  37          1HD       ARG  37   9.007   6.752  -1.608
  272    HE   ARG  37           HE       ARG  37   9.018   8.710  -0.375
  273   1HH1  ARG  37          1HH1      ARG  37   6.237   6.781   0.561
  274   2HH1  ARG  37          2HH1      ARG  37   5.888   7.761   1.944
  275   1HH2  ARG  37          1HH2      ARG  37   8.540   9.969   1.439
  276   2HH2  ARG  37          2HH2      ARG  37   7.187   9.560   2.441
  277    H    PHE  38           H        PHE  38   2.730   9.042  -2.117
  278    HA   PHE  38           HA       PHE  38   1.130   6.641  -1.625
  279   1HB   PHE  38          2HB       PHE  38   0.969   9.454  -0.588
  280   2HB   PHE  38          1HB       PHE  38  -0.395   8.357  -0.428
  281    HD1  PHE  38           HD1      PHE  38  -0.518   6.917   1.374
  282    HD2  PHE  38           HD2      PHE  38   3.239   8.644   0.371
  283    HE1  PHE  38           HE1      PHE  38   0.454   5.991   3.434
  284    HE2  PHE  38           HE2      PHE  38   4.218   7.716   2.428
  285    HZ   PHE  38           HZ       PHE  38   2.825   6.387   3.962
  286    H    LEU  39           H        LEU  39  -1.228   6.763  -1.982
  287    HA   LEU  39           HA       LEU  39  -1.862   8.139  -4.515
  288   1HB   LEU  39          1HB       LEU  39  -1.603   5.757  -4.882
  289   2HB   LEU  39          2HB       LEU  39  -2.679   5.394  -3.552
  290    HG   LEU  39           HG       LEU  39  -4.572   6.339  -4.838
  291   1HD1  LEU  39          1HD2      LEU  39  -2.470   7.332  -6.515
  292   2HD1  LEU  39          2HD2      LEU  39  -4.198   7.684  -6.561
  293   3HD1  LEU  39          3HD2      LEU  39  -3.556   6.306  -7.456
  294   1HD2  LEU  39          1HD1      LEU  39  -4.928   4.422  -6.041
  295   2HD2  LEU  39          2HD1      LEU  39  -3.618   3.900  -4.981
  296   3HD2  LEU  39          3HD1      LEU  39  -3.272   4.366  -6.647
  297    H    THR  40           H        THR  40  -3.789   9.211  -4.665
  298    HA   THR  40           HA       THR  40  -5.257   9.641  -2.185
  299    HB   THR  40           HB       THR  40  -5.601  10.969  -4.892
  300    HG1  THR  40           HG1      THR  40  -4.089  12.319  -4.316
  301   1HG2  THR  40          1HG2      THR  40  -6.340  12.294  -2.334
  302   2HG2  THR  40          2HG2      THR  40  -7.455  11.119  -3.034
  303   3HG2  THR  40          3HG2      THR  40  -6.971  12.536  -3.965
  304    H    ILE  41           H        ILE  41  -7.039   8.562  -1.706
  305    HA   ILE  41           HA       ILE  41  -8.652   7.396  -3.890
  306    HB   ILE  41           HB       ILE  41  -7.953   6.123  -1.228
  307   1HG1  ILE  41          1HG1      ILE  41  -7.458   4.980  -3.969
  308   2HG1  ILE  41          2HG1      ILE  41  -6.302   6.090  -3.232
  309   1HG2  ILE  41          1HG2      ILE  41  -9.213   4.173  -2.638
  310   2HG2  ILE  41          2HG2      ILE  41 -10.131   5.592  -3.138
  311   3HG2  ILE  41          3HG2      ILE  41  -9.997   5.187  -1.427
  312   1HD1  ILE  41          1HD1      ILE  41  -6.644   4.305  -1.225
  313   2HD1  ILE  41          2HD1      ILE  41  -5.374   4.209  -2.447
  314   3HD1  ILE  41          3HD1      ILE  41  -6.857   3.274  -2.642
  315    H    HIS  42           H        HIS  42 -10.743   7.938  -3.865
  316    HA   HIS  42           HA       HIS  42 -11.827   9.344  -1.557
  317   1HB   HIS  42          2HB       HIS  42 -12.852   8.902  -4.363
  318   2HB   HIS  42          1HB       HIS  42 -13.845   9.623  -3.102
  319    HD1  HIS  42           HD1      HIS  42 -12.336  11.735  -1.860
  320    HD2  HIS  42           HD2      HIS  42 -11.739  10.836  -5.872
  321    HE1  HIS  42           HE1      HIS  42 -11.311  13.798  -2.867
  322    HE2  HIS  42           HE2      HIS  42 -11.046  13.263  -5.314
  323    H    ARG  43           H        ARG  43 -13.947   8.767  -0.728
  324    HA   ARG  43           HA       ARG  43 -14.072   6.092   0.099
  325   1HB   ARG  43          2HB       ARG  43 -14.960   8.151   1.277
  326   2HB   ARG  43          1HB       ARG  43 -16.333   8.088   0.184
  327   1HG   ARG  43          1HG       ARG  43 -17.009   5.962   1.055
  328   2HG   ARG  43          2HG       ARG  43 -15.542   5.851   2.034
  329   1HD   ARG  43          2HD       ARG  43 -17.725   7.912   2.336
  330   2HD   ARG  43          1HD       ARG  43 -17.459   6.522   3.386
  331    HE   ARG  43           HE       ARG  43 -15.106   8.032   3.303
  332   1HH1  ARG  43          1HH1      ARG  43 -18.379   8.311   4.529
  333   2HH1  ARG  43          2HH1      ARG  43 -17.927   9.369   5.822
  334   1HH2  ARG  43          1HH2      ARG  43 -14.532   9.420   5.005
  335   2HH2  ARG  43          2HH2      ARG  43 -15.751   9.997   6.092
  336    H    GLY  44           H        GLY  44 -14.694   4.352  -1.009
  337   1HA   GLY  44          2HA       GLY  44 -16.429   3.090  -2.051
  338   2HA   GLY  44          1HA       GLY  44 -17.045   4.570  -2.760
  339    H    GLN  45           H        GLN  45 -13.709   4.577  -3.182
  340    HA   GLN  45           HA       GLN  45 -14.007   4.031  -5.990
  341   1HB   GLN  45          1HB       GLN  45 -11.571   4.686  -4.323
  342   2HB   GLN  45          2HB       GLN  45 -11.504   4.373  -6.052
  343   1HG   GLN  45          1HG       GLN  45 -13.115   6.239  -6.389
  344   2HG   GLN  45          2HG       GLN  45 -12.961   6.608  -4.674
  345   1HE2  GLN  45          1HE2      GLN  45  -9.965   5.532  -5.591
  346   2HE2  GLN  45          2HE2      GLN  45  -9.244   7.044  -5.993
  347    H    VAL  46           H        VAL  46 -13.131   2.406  -7.213
  348    HA   VAL  46           HA       VAL  46 -12.702  -0.129  -5.834
  349    HB   VAL  46           HB       VAL  46 -12.599   0.252  -8.825
  350   1HG1  VAL  46          1HG1      VAL  46 -13.448  -2.050  -8.851
  351   2HG1  VAL  46          2HG1      VAL  46 -13.436  -2.063  -7.087
  352   3HG1  VAL  46          3HG1      VAL  46 -11.922  -1.910  -7.978
  353   1HG2  VAL  46          1HG2      VAL  46 -14.777   0.628  -9.064
  354   2HG2  VAL  46          2HG2      VAL  46 -14.799   1.040  -7.347
  355   3HG2  VAL  46          3HG2      VAL  46 -15.204  -0.596  -7.867
  356    H    VAL  47           H        VAL  47 -10.636  -0.257  -5.038
  357    HA   VAL  47           HA       VAL  47  -8.447   0.524  -6.853
  358    HB   VAL  47           HB       VAL  47  -8.119   0.103  -3.889
  359   1HG1  VAL  47          1HG1      VAL  47  -6.534   2.074  -5.423
  360   2HG1  VAL  47          2HG1      VAL  47  -6.243   0.371  -5.779
  361   3HG1  VAL  47          3HG1      VAL  47  -6.043   0.973  -4.135
  362   1HG2  VAL  47          1HG2      VAL  47  -8.520   2.394  -3.448
  363   2HG2  VAL  47          2HG2      VAL  47  -9.898   1.829  -4.393
  364   3HG2  VAL  47          3HG2      VAL  47  -8.628   2.781  -5.165
  365    H    TYR  48           H        TYR  48  -7.154  -0.967  -7.653
  366    HA   TYR  48           HA       TYR  48  -7.377  -3.720  -6.699
  367   1HB   TYR  48          2HB       TYR  48  -6.199  -2.561  -9.235
  368   2HB   TYR  48          1HB       TYR  48  -6.087  -4.258  -8.807
  369    HD1  TYR  48           HD1      TYR  48  -7.587  -5.667  -9.805
  370    HD2  TYR  48           HD2      TYR  48  -8.775  -1.637  -9.134
  371    HE1  TYR  48           HE1      TYR  48  -9.717  -6.109 -10.945
  372    HE2  TYR  48           HE2      TYR  48 -10.911  -2.075 -10.265
  373    HH   TYR  48           HH       TYR  48 -11.839  -3.640 -11.906
  374    H    VAL  49           H        VAL  49  -5.809  -4.679  -5.563
  375    HA   VAL  49           HA       VAL  49  -3.376  -3.198  -4.964
  376    HB   VAL  49           HB       VAL  49  -4.289  -5.876  -3.877
  377   1HG1  VAL  49          1HG1      VAL  49  -2.648  -4.446  -2.059
  378   2HG1  VAL  49          2HG1      VAL  49  -1.828  -4.470  -3.621
  379   3HG1  VAL  49          3HG1      VAL  49  -2.318  -5.983  -2.860
  380   1HG2  VAL  49          1HG2      VAL  49  -5.710  -4.823  -2.534
  381   2HG2  VAL  49          2HG2      VAL  49  -5.393  -3.333  -3.424
  382   3HG2  VAL  49          3HG2      VAL  49  -4.443  -3.723  -1.988
  383    H    PHE  50           H        PHE  50  -1.350  -3.742  -5.621
  384    HA   PHE  50           HA       PHE  50  -1.089  -6.079  -7.386
  385   1HB   PHE  50          2HB       PHE  50   0.081  -3.319  -7.622
  386   2HB   PHE  50          1HB       PHE  50   0.834  -4.691  -8.425
  387    HD1  PHE  50           HD1      PHE  50  -2.480  -2.977  -8.131
  388    HD2  PHE  50           HD2      PHE  50   0.178  -5.259 -10.549
  389    HE1  PHE  50           HE1      PHE  50  -4.009  -2.731 -10.040
  390    HE2  PHE  50           HE2      PHE  50  -1.349  -5.016 -12.461
  391    HZ   PHE  50           HZ       PHE  50  -3.445  -3.750 -12.209
  392    H    SER  51           H        SER  51   0.404  -4.230  -4.773
  393    HA   SER  51           HA       SER  51   2.155  -6.507  -4.253
  394   1HB   SER  51          2HB       SER  51   4.138  -4.994  -3.966
  395   2HB   SER  51          1HB       SER  51   3.598  -5.183  -5.631
  396    HG   SER  51           HG       SER  51   3.142  -2.994  -3.890
  397    H    LYS  52           H        LYS  52   2.917  -6.725  -2.177
  398    HA   LYS  52           HA       LYS  52   1.885  -4.811  -0.163
  399   1HB   LYS  52          2HB       LYS  52   2.300  -7.712   0.503
  400   2HB   LYS  52          1HB       LYS  52   1.287  -6.535   1.302
  401   1HG   LYS  52          1HG       LYS  52  -0.365  -6.659  -0.384
  402   2HG   LYS  52          2HG       LYS  52   0.691  -7.596  -1.438
  403   1HD   LYS  52          1HD       LYS  52   0.660  -9.442   0.173
  404   2HD   LYS  52          2HD       LYS  52  -0.409  -8.505   1.217
  405   1HE   LYS  52          2HE       LYS  52  -2.104  -8.470  -0.547
  406   2HE   LYS  52          1HE       LYS  52  -1.033  -9.410  -1.592
  407   1HZ   LYS  52          1HZ       LYS  52  -2.180 -10.308   0.998
  408   2HZ   LYS  52          2HZ       LYS  52  -1.107 -11.205   0.047
  409   3HZ   LYS  52          3HZ       LYS  52  -2.650 -10.836  -0.540
  410    H    LEU  53           H        LEU  53   3.519  -3.852   0.947
  411    HA   LEU  53           HA       LEU  53   6.225  -4.593   0.559
  412   1HB   LEU  53          1HB       LEU  53   5.112  -2.813   2.727
  413   2HB   LEU  53          2HB       LEU  53   6.772  -2.854   2.156
  414    HG   LEU  53           HG       LEU  53   4.398  -1.996   0.488
  415   1HD1  LEU  53          1HD2      LEU  53   6.547  -0.206   1.567
  416   2HD1  LEU  53          2HD2      LEU  53   5.068  -0.535   2.472
  417   3HD1  LEU  53          3HD2      LEU  53   4.979   0.230   0.885
  418   1HD2  LEU  53          1HD1      LEU  53   7.242  -2.464  -0.115
  419   2HD2  LEU  53          2HD1      LEU  53   6.575  -0.948  -0.720
  420   3HD2  LEU  53          3HD1      LEU  53   5.834  -2.482  -1.180
  421    H    LYS  54           H        LYS  54   7.793  -5.395   2.014
  422    HA   LYS  54           HA       LYS  54   6.716  -7.376   3.859
  423   1HB   LYS  54          1HB       LYS  54   9.544  -6.902   2.899
  424   2HB   LYS  54          2HB       LYS  54   9.063  -8.204   3.976
  425   1HG   LYS  54          2HG       LYS  54   7.590  -9.078   2.221
  426   2HG   LYS  54          1HG       LYS  54   8.148  -7.798   1.143
  427   1HD   LYS  54          1HD       LYS  54   9.475  -9.601   0.538
  428   2HD   LYS  54          2HD       LYS  54  10.510  -8.707   1.646
  429   1HE   LYS  54          2HE       LYS  54   8.790 -11.011   2.530
  430   2HE   LYS  54          1HE       LYS  54  10.437 -11.227   1.942
  431   1HZ   LYS  54          1HZ       LYS  54  10.825 -11.044   4.158
  432   2HZ   LYS  54          2HZ       LYS  54   9.494 -10.041   4.443
  433   3HZ   LYS  54          3HZ       LYS  54  10.901  -9.402   3.757
  434    H    GLY  55           H        GLY  55   9.874  -6.010   4.538
  435   1HA   GLY  55          2HA       GLY  55   9.139  -5.547   7.267
  436   2HA   GLY  55          1HA       GLY  55  10.709  -5.238   6.541
  437    H    ARG  56           H        ARG  56   9.317  -3.620   8.432
  438    HA   ARG  56           HA       ARG  56   9.098  -1.426   8.933
  439   1HB   ARG  56          1HB       ARG  56   9.712  -0.877   6.023
  440   2HB   ARG  56          2HB       ARG  56   9.598   0.339   7.284
  441   1HG   ARG  56          1HG       ARG  56  11.542  -1.906   7.580
  442   2HG   ARG  56          2HG       ARG  56  11.919  -0.553   6.514
  443   1HD   ARG  56          2HD       ARG  56  12.878  -0.068   8.628
  444   2HD   ARG  56          1HD       ARG  56  11.475   0.979   8.439
  445    HE   ARG  56           HE       ARG  56  10.692  -1.342   9.806
  446   1HH1  ARG  56          1HH1      ARG  56  12.657   1.513  10.338
  447   2HH1  ARG  56          2HH1      ARG  56  12.409   1.505  12.050
  448   1HH2  ARG  56          1HH2      ARG  56  10.377  -1.336  12.053
  449   2HH2  ARG  56          2HH2      ARG  56  11.120  -0.107  13.021
  450    H    GLY  57           H        GLY  57   7.651  -1.916   5.695
  451   1HA   GLY  57          1HA       GLY  57   5.414  -0.241   6.229
  452   2HA   GLY  57          2HA       GLY  57   5.587  -1.342   4.870
  453    H    ARG  58           H        ARG  58   5.657  -3.767   5.851
  454    HA   ARG  58           HA       ARG  58   4.433  -5.522   6.544
  455   1HB   ARG  58          1HB       ARG  58   3.811  -3.669   8.848
  456   2HB   ARG  58          2HB       ARG  58   3.400  -5.377   8.818
  457   1HG   ARG  58          1HG       ARG  58   6.213  -4.346   8.547
  458   2HG   ARG  58          2HG       ARG  58   5.473  -4.787  10.086
  459   1HD   ARG  58          2HD       ARG  58   5.103  -7.065   9.247
  460   2HD   ARG  58          1HD       ARG  58   5.864  -6.620   7.719
  461    HE   ARG  58           HE       ARG  58   7.650  -6.048   9.795
  462   1HH1  ARG  58          1HH1      ARG  58   6.205  -8.853   8.262
  463   2HH1  ARG  58          2HH1      ARG  58   7.543  -9.886   8.630
  464   1HH2  ARG  58          1HH2      ARG  58   9.396  -7.420  10.267
  465   2HH2  ARG  58          2HH2      ARG  58   9.349  -9.077   9.764
  466    H    LEU  59           H        LEU  59   2.260  -3.016   7.769
  467    HA   LEU  59           HA       LEU  59   0.034  -4.275   6.408
  468   1HB   LEU  59          1HB       LEU  59  -1.365  -2.681   7.670
  469   2HB   LEU  59          2HB       LEU  59  -0.331  -3.652   8.696
  470    HG   LEU  59           HG       LEU  59   1.215  -1.438   8.395
  471   1HD1  LEU  59          1HD1      LEU  59  -0.224  -0.046   7.213
  472   2HD1  LEU  59          2HD1      LEU  59  -0.468   0.450   8.887
  473   3HD1  LEU  59          3HD1      LEU  59  -1.645  -0.599   8.099
  474   1HD2  LEU  59          1HD2      LEU  59  -0.904  -2.058  10.438
  475   2HD2  LEU  59          2HD2      LEU  59   0.271  -0.755  10.625
  476   3HD2  LEU  59          3HD2      LEU  59   0.819  -2.427  10.510
  477    H    PHE  60           H        PHE  60   2.305  -2.125   5.449
  478    HA   PHE  60           HA       PHE  60   0.523  -0.326   4.007
  479   1HB   PHE  60          2HB       PHE  60   3.499  -0.478   4.363
  480   2HB   PHE  60          1HB       PHE  60   2.829   0.460   3.036
  481    HD1  PHE  60           HD1      PHE  60   2.436   0.071   6.743
  482    HD2  PHE  60           HD2      PHE  60   2.396   2.678   3.378
  483    HE1  PHE  60           HE1      PHE  60   2.123   1.996   8.242
  484    HE2  PHE  60           HE2      PHE  60   2.081   4.606   4.873
  485    HZ   PHE  60           HZ       PHE  60   1.945   4.267   7.307
  486    H    TRP  61           H        TRP  61  -0.362  -0.919   2.181
  487    HA   TRP  61           HA       TRP  61   1.025  -2.853   0.447
  488   1HB   TRP  61          2HB       TRP  61  -1.908  -2.202   0.806
  489   2HB   TRP  61          1HB       TRP  61  -1.319  -3.125  -0.568
  490    HD1  TRP  61           HD1      TRP  61   0.596  -4.147   2.462
  491    HE1  TRP  61           HE1      TRP  61  -0.313  -6.358   3.384
  492    HE3  TRP  61           HE3      TRP  61  -3.777  -4.428  -0.181
  493    HZ2  TRP  61           HZ2      TRP  61  -2.574  -8.002   3.074
  494    HZ3  TRP  61           HZ3      TRP  61  -5.246  -6.355   0.198
  495    HH2  TRP  61           HH2      TRP  61  -4.669  -8.105   1.787
  496    H    GLY  62           H        GLY  62  -0.206  -2.435  -1.958
  497   1HA   GLY  62          2HA       GLY  62  -0.367   0.332  -2.681
  498   2HA   GLY  62          1HA       GLY  62   1.218  -0.368  -3.114
  499    H    GLY  63           H        GLY  63  -0.440   0.663  -5.044
  500   1HA   GLY  63          2HA       GLY  63  -0.477  -1.211  -7.030
  501   2HA   GLY  63          1HA       GLY  63  -2.052  -1.374  -6.268
  502    H    SER  64           H        SER  64  -3.260  -0.626  -7.973
  503    HA   SER  64           HA       SER  64  -3.047   2.260  -8.491
  504   1HB   SER  64          1HB       SER  64  -3.513   1.922 -10.872
  505   2HB   SER  64          2HB       SER  64  -2.035   1.076 -10.413
  506    HG   SER  64           HG       SER  64  -3.937  -0.653 -10.044
  507    H    VAL  65           H        VAL  65  -5.052   3.255  -9.160
  508    HA   VAL  65           HA       VAL  65  -7.376   1.734  -8.208
  509    HB   VAL  65           HB       VAL  65  -6.967   3.670  -6.835
  510   1HG1  VAL  65          1HG1      VAL  65  -6.100   5.549  -7.620
  511   2HG1  VAL  65          2HG1      VAL  65  -7.563   5.847  -8.558
  512   3HG1  VAL  65          3HG1      VAL  65  -6.236   4.925  -9.265
  513   1HG2  VAL  65          1HG2      VAL  65  -9.385   3.124  -8.082
  514   2HG2  VAL  65          2HG2      VAL  65  -9.229   4.879  -8.169
  515   3HG2  VAL  65          3HG2      VAL  65  -9.142   4.062  -6.607
  516    H    GLN  66           H        GLN  66  -9.074   1.362  -9.435
  517    HA   GLN  66           HA       GLN  66  -9.078   2.395 -12.186
  518   1HB   GLN  66          1HB       GLN  66  -8.952  -0.033 -12.028
  519   2HB   GLN  66          2HB       GLN  66 -10.367  -0.068 -10.987
  520   1HG   GLN  66          2HG       GLN  66 -11.751   0.749 -12.810
  521   2HG   GLN  66          1HG       GLN  66 -10.334   0.818 -13.864
  522   1HE2  GLN  66          1HE2      GLN  66 -12.978  -0.931 -13.159
  523   2HE2  GLN  66          2HE2      GLN  66 -12.458  -2.500 -13.666
  524    H    GLY  67           H        GLY  67 -10.784   3.539 -12.957
  525   1HA   GLY  67          2HA       GLY  67 -13.402   3.572 -12.332
  526   2HA   GLY  67          1HA       GLY  67 -12.710   4.530 -11.031
  527    H    ASP  68           H        ASP  68 -10.600   5.620 -12.743
  528    HA   ASP  68           HA       ASP  68 -12.069   7.187 -14.710
  529   1HB   ASP  68          2HB       ASP  68 -10.978   9.302 -13.747
  530   2HB   ASP  68          1HB       ASP  68 -12.366   8.642 -12.891
  531    H    TYR  69           H        TYR  69 -10.955   7.372 -16.516
  532    HA   TYR  69           HA       TYR  69  -8.015   7.224 -16.403
  533   1HB   TYR  69          2HB       TYR  69  -9.842   5.911 -18.431
  534   2HB   TYR  69          1HB       TYR  69  -8.100   6.037 -18.614
  535    HD1  TYR  69           HD1      TYR  69 -10.766   4.534 -16.496
  536    HD2  TYR  69           HD2      TYR  69  -6.662   4.469 -17.622
  537    HE1  TYR  69           HE1      TYR  69 -10.473   2.411 -15.290
  538    HE2  TYR  69           HE2      TYR  69  -6.361   2.348 -16.418
  539    HH   TYR  69           HH       TYR  69  -7.577   1.179 -14.414
  540    H    TYR  70           H        TYR  70  -7.439   9.278 -16.766
  541    HA   TYR  70           HA       TYR  70  -8.641  10.690 -19.053
  542   1HB   TYR  70          2HB       TYR  70  -7.358  11.751 -16.535
  543   2HB   TYR  70          1HB       TYR  70  -7.677  12.767 -17.934
  544    HD1  TYR  70           HD1      TYR  70  -9.409  10.524 -15.491
  545    HD2  TYR  70           HD2      TYR  70  -9.733  13.820 -18.167
  546    HE1  TYR  70           HE1      TYR  70 -11.691  10.952 -14.682
  547    HE2  TYR  70           HE2      TYR  70 -12.015  14.254 -17.362
  548    HH   TYR  70           HH       TYR  70 -13.847  13.033 -16.270
  549    H    GLY  71           H        GLY  71  -5.948   8.999 -18.150
  550   1HA   GLY  71          1HA       GLY  71  -4.447   9.136 -20.352
  551   2HA   GLY  71          2HA       GLY  71  -3.984  10.628 -19.548
  552    H    ASP  72           H        ASP  72  -2.903  10.529 -17.536
  553    HA   ASP  72           HA       ASP  72  -1.512   7.975 -17.094
  554   1HB   ASP  72          2HB       ASP  72  -0.697  10.805 -16.386
  555   2HB   ASP  72          1HB       ASP  72   0.216   9.371 -15.938
  556    H    LEU  73           H        LEU  73  -3.002   6.987 -15.753
  557    HA   LEU  73           HA       LEU  73  -3.198   8.130 -13.052
  558   1HB   LEU  73          1HB       LEU  73  -5.313   8.280 -14.640
  559   2HB   LEU  73          2HB       LEU  73  -5.506   6.600 -14.195
  560    HG   LEU  73           HG       LEU  73  -6.912   8.152 -12.870
  561   1HD1  LEU  73          1HD2      LEU  73  -4.871   6.727 -11.180
  562   2HD1  LEU  73          2HD2      LEU  73  -6.242   5.957 -11.978
  563   3HD1  LEU  73          3HD2      LEU  73  -6.517   7.162 -10.720
  564   1HD2  LEU  73          1HD1      LEU  73  -6.157   9.907 -11.710
  565   2HD2  LEU  73          2HD1      LEU  73  -4.758   9.792 -12.778
  566   3HD2  LEU  73          3HD1      LEU  73  -4.705   9.063 -11.173
  567    H    ALA  74           H        ALA  74  -3.948   5.183 -14.937
  568    HA   ALA  74           HA       ALA  74  -3.250   3.511 -12.666
  569   1HB   ALA  74          1HB       ALA  74  -4.623   3.088 -15.258
  570   2HB   ALA  74          2HB       ALA  74  -5.052   2.532 -13.638
  571   3HB   ALA  74          3HB       ALA  74  -3.782   1.709 -14.546
  572    H    ALA  75           H        ALA  75  -1.598   4.936 -15.198
  573    HA   ALA  75           HA       ALA  75   0.210   2.864 -15.926
  574   1HB   ALA  75          1HB       ALA  75   1.634   4.917 -16.636
  575   2HB   ALA  75          2HB       ALA  75   0.178   5.837 -16.255
  576   3HB   ALA  75          3HB       ALA  75   0.127   4.573 -17.484
  577    H    ARG  76           H        ARG  76   0.165   5.328 -13.434
  578    HA   ARG  76           HA       ARG  76   2.809   4.531 -12.477
  579   1HB   ARG  76          2HB       ARG  76   2.539   6.430 -10.876
  580   2HB   ARG  76          1HB       ARG  76   2.486   6.910 -12.565
  581   1HG   ARG  76          2HG       ARG  76   0.091   7.138 -12.480
  582   2HG   ARG  76          1HG       ARG  76   0.056   6.506 -10.833
  583   1HD   ARG  76          2HD       ARG  76   1.274   8.411 -10.019
  584   2HD   ARG  76          1HD       ARG  76   1.508   9.016 -11.658
  585    HE   ARG  76           HE       ARG  76  -0.567   9.953 -11.551
  586   1HH1  ARG  76          1HH1      ARG  76  -0.393   7.516  -9.031
  587   2HH1  ARG  76          2HH1      ARG  76  -1.951   7.910  -8.390
  588   1HH2  ARG  76          1HH2      ARG  76  -2.604  10.451 -10.690
  589   2HH2  ARG  76          2HH2      ARG  76  -3.202   9.567  -9.327
  590    H    LEU  77           H        LEU  77   3.157   3.858 -10.314
  591    HA   LEU  77           HA       LEU  77   0.786   2.630  -9.072
  592   1HB   LEU  77          1HB       LEU  77   3.643   1.677  -9.180
  593   2HB   LEU  77          2HB       LEU  77   2.449   0.988  -8.096
  594    HG   LEU  77           HG       LEU  77   2.079   1.047 -11.091
  595   1HD1  LEU  77          1HD1      LEU  77   3.430  -0.693 -11.360
  596   2HD1  LEU  77          2HD1      LEU  77   2.706  -1.544  -9.996
  597   3HD1  LEU  77          3HD1      LEU  77   4.025  -0.404  -9.726
  598   1HD2  LEU  77          1HD2      LEU  77   0.002   0.630 -10.178
  599   2HD2  LEU  77          2HD2      LEU  77   0.671  -0.213  -8.776
  600   3HD2  LEU  77          3HD2      LEU  77   0.642  -1.005 -10.353
  601    H    GLY  78           H        GLY  78   0.238   3.299  -7.132
  602   1HA   GLY  78          1HA       GLY  78   2.216   4.823  -5.552
  603   2HA   GLY  78          2HA       GLY  78   0.481   5.110  -5.515
  604    H    TYR  79           H        TYR  79   1.170   4.895  -3.120
  605    HA   TYR  79           HA       TYR  79   0.695   2.102  -2.341
  606   1HB   TYR  79          2HB       TYR  79   2.605   4.007  -0.958
  607   2HB   TYR  79          1HB       TYR  79   2.182   2.394  -0.385
  608    HD1  TYR  79           HD1      TYR  79   4.560   4.242  -2.171
  609    HD2  TYR  79           HD2      TYR  79   2.597   0.468  -2.203
  610    HE1  TYR  79           HE1      TYR  79   6.383   3.310  -3.530
  611    HE2  TYR  79           HE2      TYR  79   4.412  -0.474  -3.566
  612    HH   TYR  79           HH       TYR  79   6.816   0.003  -4.008
  613    H    PHE  80           H        PHE  80  -0.531   1.765  -0.493
  614    HA   PHE  80           HA       PHE  80  -1.696   4.024   0.907
  615   1HB   PHE  80          2HB       PHE  80  -4.040   3.180   0.406
  616   2HB   PHE  80          1HB       PHE  80  -3.208   3.944  -0.944
  617    HD1  PHE  80           HD1      PHE  80  -4.282   0.685   0.459
  618    HD2  PHE  80           HD2      PHE  80  -2.758   2.754  -2.938
  619    HE1  PHE  80           HE1      PHE  80  -4.702  -1.297  -0.934
  620    HE2  PHE  80           HE2      PHE  80  -3.179   0.775  -4.333
  621    HZ   PHE  80           HZ       PHE  80  -4.152  -1.253  -3.334
  622    HA   PRO  81           HA       PRO  81  -1.756   1.025   4.210
  623   1HB   PRO  81          2HB       PRO  81  -4.063   2.258   5.485
  624   2HB   PRO  81          1HB       PRO  81  -2.372   2.290   5.988
  625   1HG   PRO  81          2HG       PRO  81  -3.679   4.487   5.080
  626   2HG   PRO  81          1HG       PRO  81  -1.936   4.240   4.862
  627   1HD   PRO  81          2HD       PRO  81  -4.171   3.802   2.911
  628   2HD   PRO  81          1HD       PRO  81  -2.577   4.543   2.650
  629    H    SER  82           H        SER  82  -2.628  -0.945   4.530
  630    HA   SER  82           HA       SER  82  -4.766  -1.877   2.949
  631   1HB   SER  82          2HB       SER  82  -4.455  -4.000   4.104
  632   2HB   SER  82          1HB       SER  82  -2.881  -3.277   3.791
  633    HG   SER  82           HG       SER  82  -2.890  -3.965   5.898
  634    H    SER  83           H        SER  83  -4.702  -0.365   6.028
  635    HA   SER  83           HA       SER  83  -7.046  -1.412   7.184
  636   1HB   SER  83          2HB       SER  83  -6.941   0.566   8.663
  637   2HB   SER  83          1HB       SER  83  -5.382  -0.243   8.510
  638    HG   SER  83           HG       SER  83  -6.232   2.199   7.390
  639    H    ILE  84           H        ILE  84  -6.640   1.046   4.701
  640    HA   ILE  84           HA       ILE  84  -9.373   1.988   5.125
  641    HB   ILE  84           HB       ILE  84  -8.983   3.630   3.376
  642   1HG1  ILE  84          2HG1      ILE  84  -6.099   2.790   3.266
  643   2HG1  ILE  84          1HG1      ILE  84  -7.284   2.103   2.153
  644   1HG2  ILE  84          1HG2      ILE  84  -7.062   4.836   4.555
  645   2HG2  ILE  84          2HG2      ILE  84  -7.020   3.438   5.630
  646   3HG2  ILE  84          3HG2      ILE  84  -8.484   4.414   5.509
  647   1HD1  ILE  84          1HD1      ILE  84  -6.924   3.840   0.839
  648   2HD1  ILE  84          2HD1      ILE  84  -5.946   4.639   2.071
  649   3HD1  ILE  84          3HD1      ILE  84  -7.698   4.847   2.062
  650    H    VAL  85           H        VAL  85  -8.073  -0.597   3.554
  651    HA   VAL  85           HA       VAL  85 -10.241  -0.544   1.554
  652    HB   VAL  85           HB       VAL  85  -8.823  -2.016   0.105
  653   1HG1  VAL  85          1HG1      VAL  85  -7.611   0.688   0.649
  654   2HG1  VAL  85          2HG1      VAL  85  -9.106   0.429  -0.249
  655   3HG1  VAL  85          3HG1      VAL  85  -7.584  -0.211  -0.869
  656   1HG2  VAL  85          1HG2      VAL  85  -6.307  -1.727   0.533
  657   2HG2  VAL  85          2HG2      VAL  85  -7.180  -2.919   1.496
  658   3HG2  VAL  85          3HG2      VAL  85  -6.773  -1.349   2.192
  659    H    ARG  86           H        ARG  86 -11.377  -2.409   1.158
  660    HA   ARG  86           HA       ARG  86 -10.960  -4.602   3.081
  661   1HB   ARG  86          2HB       ARG  86 -13.023  -3.258   3.490
  662   2HB   ARG  86          1HB       ARG  86 -13.590  -3.696   1.886
  663   1HG   ARG  86          2HG       ARG  86 -13.642  -6.044   2.528
  664   2HG   ARG  86          1HG       ARG  86 -13.031  -5.627   4.131
  665   1HD   ARG  86          2HD       ARG  86 -15.023  -4.271   4.536
  666   2HD   ARG  86          1HD       ARG  86 -15.635  -4.688   2.936
  667    HE   ARG  86           HE       ARG  86 -15.122  -7.057   4.332
  668   1HH1  ARG  86          1HH1      ARG  86 -17.344  -4.348   4.468
  669   2HH1  ARG  86          2HH1      ARG  86 -18.612  -5.277   5.192
  670   1HH2  ARG  86          1HH2      ARG  86 -16.796  -8.259   5.282
  671   2HH2  ARG  86          2HH2      ARG  86 -18.302  -7.490   5.653
  672    H    GLU  87           H        GLU  87 -10.051  -6.216   2.029
  673    HA   GLU  87           HA       GLU  87 -10.507  -6.683  -0.775
  674   1HB   GLU  87          1HB       GLU  87  -8.757  -7.947   1.318
  675   2HB   GLU  87          2HB       GLU  87  -8.998  -8.741  -0.233
  676   1HG   GLU  87          1HG       GLU  87  -7.011  -7.502  -0.421
  677   2HG   GLU  87          2HG       GLU  87  -8.233  -6.609  -1.319
  678    H    ASP  88           H        ASP  88 -12.435  -7.444  -1.282
  679    HA   ASP  88           HA       ASP  88 -13.672  -9.502   0.361
  680   1HB   ASP  88          2HB       ASP  88 -15.663  -9.109  -1.125
  681   2HB   ASP  88          1HB       ASP  88 -15.142  -7.711  -0.193
  682    H    GLN  89           H        GLN  89 -12.139  -9.154  -2.788
  683    HA   GLN  89           HA       GLN  89 -12.399 -12.068  -3.095
  684   1HB   GLN  89          2HB       GLN  89 -14.285 -11.025  -4.346
  685   2HB   GLN  89          1HB       GLN  89 -13.112 -10.178  -5.342
  686   1HG   GLN  89          1HG       GLN  89 -12.474 -12.953  -5.349
  687   2HG   GLN  89          2HG       GLN  89 -14.189 -12.763  -5.704
  688   1HE2  GLN  89          1HE2      GLN  89 -11.186 -12.903  -7.037
  689   2HE2  GLN  89          2HE2      GLN  89 -11.500 -12.119  -8.539
  690    H    THR  90           H        THR  90 -10.604 -13.024  -3.751
  691    HA   THR  90           HA       THR  90  -8.335 -11.394  -4.608
  692    HB   THR  90           HB       THR  90  -8.425 -14.357  -3.991
  693    HG1  THR  90           HG1      THR  90  -8.795 -13.581  -2.055
  694   1HG2  THR  90          1HG2      THR  90  -6.144 -12.438  -4.275
  695   2HG2  THR  90          2HG2      THR  90  -6.421 -13.949  -5.141
  696   3HG2  THR  90          3HG2      THR  90  -6.004 -13.978  -3.428
  697    H    LEU  91           H        LEU  91  -7.793 -11.224  -6.688
  698    HA   LEU  91           HA       LEU  91  -9.253 -12.697  -8.706
  699   1HB   LEU  91          1HB       LEU  91  -7.049 -10.683  -9.119
  700   2HB   LEU  91          2HB       LEU  91  -8.279 -11.167 -10.269
  701    HG   LEU  91           HG       LEU  91  -9.055  -9.809  -7.709
  702   1HD1  LEU  91          1HD2      LEU  91  -7.886  -8.570 -10.167
  703   2HD1  LEU  91          2HD2      LEU  91  -7.526  -8.244  -8.472
  704   3HD1  LEU  91          3HD2      LEU  91  -9.050  -7.695  -9.170
  705   1HD2  LEU  91          1HD1      LEU  91 -10.609  -8.962  -9.869
  706   2HD2  LEU  91          2HD1      LEU  91 -11.071 -10.079  -8.584
  707   3HD2  LEU  91          3HD1      LEU  91 -10.394 -10.700 -10.092
  708    H    LYS  92           H        LYS  92  -5.922 -12.434  -7.596
  709    HA   LYS  92           HA       LYS  92  -5.283 -15.001  -8.761
  710   1HB   LYS  92          2HB       LYS  92  -4.932 -13.179 -10.556
  711   2HB   LYS  92          1HB       LYS  92  -3.551 -12.676  -9.597
  712   1HG   LYS  92          2HG       LYS  92  -2.345 -14.578 -10.062
  713   2HG   LYS  92          1HG       LYS  92  -3.783 -15.542 -10.384
  714   1HD   LYS  92          1HD       LYS  92  -2.800 -13.332 -12.195
  715   2HD   LYS  92          2HD       LYS  92  -2.394 -15.032 -12.402
  716   1HE   LYS  92          2HE       LYS  92  -4.768 -15.577 -12.647
  717   2HE   LYS  92          1HE       LYS  92  -5.181 -13.876 -12.437
  718   1HZ   LYS  92          1HZ       LYS  92  -3.524 -14.984 -14.640
  719   2HZ   LYS  92          2HZ       LYS  92  -3.952 -13.360 -14.445
  720   3HZ   LYS  92          3HZ       LYS  92  -5.144 -14.514 -14.771
  721    HA   PRO  93           HA       PRO  93  -2.974 -15.332  -4.932
  722   1HB   PRO  93          1HB       PRO  93  -1.228 -17.048  -6.649
  723   2HB   PRO  93          2HB       PRO  93  -1.853 -17.365  -5.031
  724   1HG   PRO  93          2HG       PRO  93  -2.999 -18.532  -7.070
  725   2HG   PRO  93          1HG       PRO  93  -4.035 -17.748  -5.856
  726   1HD   PRO  93          1HD       PRO  93  -3.185 -16.741  -8.554
  727   2HD   PRO  93          2HD       PRO  93  -4.787 -16.708  -7.804
  728    H    GLY  94           H        GLY  94  -1.492 -14.101  -4.023
  729   1HA   GLY  94          1HA       GLY  94   0.712 -13.030  -5.679
  730   2HA   GLY  94          2HA       GLY  94  -0.025 -12.166  -4.335
  731    H    LYS  95           H        LYS  95   1.803 -15.043  -5.163
  732    HA   LYS  95           HA       LYS  95   3.031 -14.994  -2.497
  733   1HB   LYS  95          2HB       LYS  95   3.343 -17.516  -2.898
  734   2HB   LYS  95          1HB       LYS  95   1.743 -16.930  -2.462
  735   1HG   LYS  95          2HG       LYS  95   1.020 -17.040  -4.754
  736   2HG   LYS  95          1HG       LYS  95   2.647 -17.480  -5.278
  737   1HD   LYS  95          2HD       LYS  95   1.007 -19.141  -3.372
  738   2HD   LYS  95          1HD       LYS  95   0.990 -19.375  -5.119
  739   1HE   LYS  95          2HE       LYS  95   3.402 -19.813  -5.079
  740   2HE   LYS  95          1HE       LYS  95   3.417 -19.576  -3.332
  741   1HZ   LYS  95          1HZ       LYS  95   3.263 -21.953  -4.308
  742   2HZ   LYS  95          2HZ       LYS  95   1.623 -21.587  -4.509
  743   3HZ   LYS  95          3HZ       LYS  95   2.316 -21.542  -2.967
  744    H    VAL  96           H        VAL  96   4.002 -13.652  -4.899
  745    HA   VAL  96           HA       VAL  96   6.561 -15.088  -5.245
  746    HB   VAL  96           HB       VAL  96   5.275 -13.217  -7.254
  747   1HG1  VAL  96          1HG1      VAL  96   7.739 -13.220  -7.305
  748   2HG1  VAL  96          2HG1      VAL  96   7.039 -13.915  -8.769
  749   3HG1  VAL  96          3HG1      VAL  96   7.718 -14.969  -7.529
  750   1HG2  VAL  96          1HG2      VAL  96   4.406 -15.718  -6.765
  751   2HG2  VAL  96          2HG2      VAL  96   5.693 -16.063  -7.921
  752   3HG2  VAL  96          3HG2      VAL  96   4.379 -14.972  -8.363
  753    H    ASP  97           H        ASP  97   8.176 -14.102  -4.229
  754    HA   ASP  97           HA       ASP  97   7.967 -11.371  -3.324
  755   1HB   ASP  97          2HB       ASP  97   9.004 -13.228  -1.983
  756   2HB   ASP  97          1HB       ASP  97  10.337 -13.246  -3.129
  757    H    VAL  98           H        VAL  98   8.508  -9.664  -4.484
  758    HA   VAL  98           HA       VAL  98  10.624  -9.912  -6.531
  759    HB   VAL  98           HB       VAL  98   8.375  -7.904  -6.706
  760   1HG1  VAL  98          1HG1      VAL  98  10.741  -8.209  -8.118
  761   2HG1  VAL  98          2HG1      VAL  98   9.348  -7.240  -8.596
  762   3HG1  VAL  98          3HG1      VAL  98   9.512  -8.895  -9.182
  763   1HG2  VAL  98          1HG2      VAL  98   8.093 -10.715  -7.012
  764   2HG2  VAL  98          2HG2      VAL  98   7.968  -9.970  -8.605
  765   3HG2  VAL  98          3HG2      VAL  98   6.901  -9.445  -7.300
  766    H    LYS  99           H        LYS  99  12.307  -8.552  -6.320
  767    HA   LYS  99           HA       LYS  99  12.399  -6.708  -4.097
  768   1HB   LYS  99          1HB       LYS  99  14.438  -7.187  -6.287
  769   2HB   LYS  99          2HB       LYS  99  14.718  -6.341  -4.774
  770   1HG   LYS  99          2HG       LYS  99  14.405  -8.353  -3.521
  771   2HG   LYS  99          1HG       LYS  99  13.972  -9.241  -4.983
  772   1HD   LYS  99          2HD       LYS  99  16.219  -8.802  -5.888
  773   2HD   LYS  99          1HD       LYS  99  16.641  -7.961  -4.395
  774   1HE   LYS  99          2HE       LYS  99  16.265 -10.022  -3.130
  775   2HE   LYS  99          1HE       LYS  99  15.840 -10.859  -4.622
  776   1HZ   LYS  99          1HZ       LYS  99  18.001 -10.855  -5.346
  777   2HZ   LYS  99          2HZ       LYS  99  18.236 -11.017  -3.679
  778   3HZ   LYS  99          3HZ       LYS  99  18.443  -9.510  -4.420
  779    H    THR 100           H        THR 100  13.069  -4.416  -4.378
  780    HA   THR 100           HA       THR 100  11.696  -3.224  -6.682
  781    HB   THR 100           HB       THR 100  11.688  -1.137  -5.392
  782    HG1  THR 100           HG1      THR 100  12.934  -0.889  -3.736
  783   1HG2  THR 100          1HG2      THR 100  10.690  -3.536  -3.886
  784   2HG2  THR 100          2HG2      THR 100   9.783  -2.464  -4.953
  785   3HG2  THR 100          3HG2      THR 100  10.365  -1.873  -3.397
  786    H    ASP 101           H        ASP 101  12.642  -1.403  -7.790
  787    HA   ASP 101           HA       ASP 101  15.582  -1.545  -7.869
  788   1HB   ASP 101          2HB       ASP 101  13.643  -0.814 -10.069
  789   2HB   ASP 101          1HB       ASP 101  15.395  -0.803 -10.223
  790    H    LYS 102           H        LYS 102  16.240   0.665  -9.266
  791    HA   LYS 102           HA       LYS 102  16.029   2.743  -7.347
  792   1HB   LYS 102          1HB       LYS 102  17.966   2.204  -8.940
  793   2HB   LYS 102          2HB       LYS 102  17.030   3.073 -10.141
  794   1HG   LYS 102          1HG       LYS 102  17.058   4.760  -7.952
  795   2HG   LYS 102          2HG       LYS 102  18.682   4.086  -8.017
  796   1HD   LYS 102          2HD       LYS 102  18.911   5.924  -9.387
  797   2HD   LYS 102          1HD       LYS 102  18.513   4.670 -10.562
  798   1HE   LYS 102          2HE       LYS 102  17.223   6.670 -11.021
  799   2HE   LYS 102          1HE       LYS 102  16.153   5.376 -10.483
  800   1HZ   LYS 102          1HZ       LYS 102  17.126   7.027  -8.339
  801   2HZ   LYS 102          2HZ       LYS 102  15.547   6.536  -8.694
  802   3HZ   LYS 102          3HZ       LYS 102  16.208   7.883  -9.473
  803    H    TRP 103           H        TRP 103  14.700   2.235 -10.572
  804    HA   TRP 103           HA       TRP 103  13.286   4.763 -10.540
  805   1HB   TRP 103          2HB       TRP 103  13.235   2.544 -12.601
  806   2HB   TRP 103          1HB       TRP 103  12.554   4.152 -12.804
  807    HD1  TRP 103           HD1      TRP 103  15.961   2.387 -12.518
  808    HE1  TRP 103           HE1      TRP 103  17.751   3.885 -13.599
  809    HE3  TRP 103           HE3      TRP 103  13.096   6.517 -13.487
  810    HZ2  TRP 103           HZ2      TRP 103  17.931   6.466 -14.709
  811    HZ3  TRP 103           HZ3      TRP 103  14.161   8.458 -14.562
  812    HH2  TRP 103           HH2      TRP 103  16.528   8.432 -15.160
  813    H    ASP 104           H        ASP 104  12.393   3.328  -8.426
  814    HA   ASP 104           HA       ASP 104   9.674   2.546  -9.241
  815   1HB   ASP 104          2HB       ASP 104  11.474   1.269  -7.188
  816   2HB   ASP 104          1HB       ASP 104   9.727   1.060  -7.142
  817    H    PHE 105           H        PHE 105  11.738   4.169  -6.938
  818    HA   PHE 105           HA       PHE 105   9.357   5.302  -5.621
  819   1HB   PHE 105          2HB       PHE 105  12.142   4.847  -4.538
  820   2HB   PHE 105          1HB       PHE 105  10.937   5.826  -3.713
  821    HD1  PHE 105           HD1      PHE 105  11.576   2.380  -4.976
  822    HD2  PHE 105           HD2      PHE 105   9.381   4.851  -2.292
  823    HE1  PHE 105           HE1      PHE 105  10.689   0.376  -3.860
  824    HE2  PHE 105           HE2      PHE 105   8.490   2.850  -1.175
  825    HZ   PHE 105           HZ       PHE 105   9.144   0.609  -1.958
  826    H    TYR 106           H        TYR 106  11.594   6.022  -7.892
  827    HA   TYR 106           HA       TYR 106  12.112   8.770  -7.080
  828   1HB   TYR 106          2HB       TYR 106  13.919   7.488  -8.143
  829   2HB   TYR 106          1HB       TYR 106  12.922   7.229  -9.563
  830    HD1  TYR 106           HD1      TYR 106  13.945   8.295 -11.323
  831    HD2  TYR 106           HD2      TYR 106  13.661  10.370  -7.611
  832    HE1  TYR 106           HE1      TYR 106  14.893  10.304 -12.374
  833    HE2  TYR 106           HE2      TYR 106  14.602  12.382  -8.661
  834    HH   TYR 106           HH       TYR 106  14.959  13.371 -10.760
  835    H    CYS 107           H        CYS 107  10.706  10.314  -7.480
  836    HA   CYS 107           HA       CYS 107   8.939  10.094  -9.831
  837   1HB   CYS 107          1HB       CYS 107   7.760   9.785  -7.663
  838   2HB   CYS 107          2HB       CYS 107   8.303  11.381  -7.167
  839    H    GLN 108           HN       GLN 108   8.592  11.921 -11.057
  840    HA   GLN 108           HA       GLN 108  10.159  14.314 -10.343
  841   1HB   GLN 108          2HB       GLN 108   9.804  13.052 -13.066
  842   2HB   GLN 108          1HB       GLN 108  10.467  14.661 -12.817
  843   1HG   GLN 108          2HG       GLN 108  12.290  13.694 -11.493
  844   2HG   GLN 108          1HG       GLN 108  11.632  12.085 -11.779
  845   1HE2  GLN 108          1HE2      GLN 108  13.919  14.199 -12.746
  846   2HE2  GLN 108          2HE2      GLN 108  14.184  13.642 -14.360