*HEADER    CYTOKINE                                27-MAY-02   1LV9              
*TITLE     CXCR3 BINDING CHEMOKINE IP-10/CXCL10                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SMALL INDUCIBLE CYTOKINE B10;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CXCL10, INTERFERON-GAMMA INDUCED PROTEIN, GAMMA-            
*COMPND   5 IP10, IP-10;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OF THE PROTEIN IS NATURALLY              
*SOURCE   4 FOUND IN HOMO SAPIENS. IT WAS SYNTHESIZED BY STEPWISE                
*SOURCE   5 SOLID PHASE METHODS USING T-BUTOXYCARBONYL PROTECTION                
*SOURCE   6 CHEMISTRY.                                                           
*KEYWDS    CHEMOKINE                                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    V.BOOTH, D.W.KEIZER, M.B.KAMPHUIS, I.CLARK-LEWIS, B.D.SYKES           
*REVDAT   1   18-SEP-02 1LV9    0                                                

! Distance restraints:
 ASSI {    0}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HA  "))
      2.900     1.100     1.300 peak     0 weight  0.10000E+01 volume  0.23353E+02 ppm1     10.470 ppm2      4.723
 ASSI {    4}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HA  "))
      5.000     3.100     0.500 peak     4 weight  0.10000E+01 volume -0.84500E+00 ppm1     10.471 ppm2      4.245
 ASSI {    5}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB  "))
      4.600     2.600     0.900 peak     5 weight  0.10000E+01 volume  0.16181E+01 ppm1     10.470 ppm2      4.143
 ASSI {    6}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB2 "))
      4.500     2.500     1.000 peak     6 weight  0.10000E+01 volume  0.17162E+01 ppm1     10.472 ppm2      3.803
 ASSI {    8}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB1 "))
      5.000     3.100     0.500 peak     8 weight  0.10000E+01 volume -0.20000E-02 ppm1     10.467 ppm2      2.878
 ASSI {    9}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB1 "))
      4.400     2.400     1.100 peak     9 weight  0.10000E+01 volume  0.20382E+01 ppm1     10.473 ppm2      2.693
 ASSI {   10}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HG21")
     OR 
    ( segid "    " and resid "10  " and name "HG23")
     OR 
    ( segid "    " and resid "10  " and name "HG22"))
      5.300     3.500     0.200 peak    10 weight  0.10000E+01 volume  0.67270E+00 ppm1     10.470 ppm2      1.178
 ASSI {   12}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA  "))
      5.000     3.100     0.500 peak    12 weight  0.10000E+01 volume -0.20500E+00 ppm1      9.496 ppm2      5.343
 ASSI {   14}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
      5.000     3.100     0.500 peak    14 weight  0.10000E+01 volume -0.16100E+00 ppm1      9.205 ppm2      5.399
 ASSI {   17}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HA  "))
      5.500     3.800     0.000 peak    17 weight  0.10000E+01 volume  0.36080E+00 ppm1      9.082 ppm2      5.800
 ASSI {   19}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
      5.000     3.100     0.500 peak    19 weight  0.10000E+01 volume -0.21400E+00 ppm1      8.555 ppm2      5.400
 ASSI {   20}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
      4.400     2.400     1.100 peak    20 weight  0.10000E+01 volume  0.21350E+01 ppm1      8.486 ppm2      5.400
 ASSI {   21}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA  "))
      5.100     3.300     0.400 peak    21 weight  0.10000E+01 volume  0.85560E+00 ppm1      8.487 ppm2      5.347
 ASSI {   22}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA  "))
      5.500     3.800     0.000 peak    22 weight  0.10000E+01 volume  0.22450E+00 ppm1      8.565 ppm2      5.344
 ASSI {   23}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "36  " and name "HA  "))
      5.000     3.100     0.500 peak    23 weight  0.10000E+01 volume -0.10800E+00 ppm1      8.590 ppm2      5.132
 ASSI {   24}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HA  "))
      5.500     3.800     0.000 peak    24 weight  0.10000E+01 volume  0.19610E+00 ppm1      8.555 ppm2      5.123
 ASSI {   25}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HA  "))
      5.000     3.100     0.500 peak    25 weight  0.10000E+01 volume -0.91000E-01 ppm1      9.499 ppm2      5.025
 ASSI {   26}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HA  "))
      5.500     3.800     0.000 peak    26 weight  0.10000E+01 volume  0.25800E+00 ppm1      9.642 ppm2      4.848
 ASSI {   27}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
      5.200     3.400     0.300 peak    27 weight  0.10000E+01 volume  0.75430E+00 ppm1      9.643 ppm2      4.677
 ASSI {   28}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      5.500     3.800     0.000 peak    28 weight  0.10000E+01 volume  0.27510E+00 ppm1      9.398 ppm2      4.921
 ASSI {   29}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      5.500     3.800     0.000 peak    29 weight  0.10000E+01 volume  0.34700E+00 ppm1      9.276 ppm2      4.920
 ASSI {   30}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HA  "))
      5.000     3.100     0.500 peak    30 weight  0.10000E+01 volume -0.16000E-01 ppm1      9.074 ppm2      5.026
 ASSI {   31}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      5.500     3.800     0.000 peak    31 weight  0.10000E+01 volume  0.25520E+00 ppm1      8.967 ppm2      4.968
 ASSI {   33}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA  "))
      5.000     3.100     0.500 peak    33 weight  0.10000E+01 volume -0.36800E+00 ppm1      8.892 ppm2      5.004
 ASSI {   35}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA  "))
      4.700     2.800     0.800 peak    35 weight  0.10000E+01 volume  0.13569E+01 ppm1      8.702 ppm2      5.004
 ASSI {   37}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA  "))
      5.200     3.400     0.300 peak    37 weight  0.10000E+01 volume  0.79160E+00 ppm1      8.479 ppm2      5.005
 ASSI {   38}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      4.400     2.400     1.100 peak    38 weight  0.10000E+01 volume  0.21726E+01 ppm1      8.228 ppm2      4.921
 ASSI {   39}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      5.100     3.300     0.400 peak    39 weight  0.10000E+01 volume  0.81440E+00 ppm1      8.159 ppm2      4.923
 ASSI {   40}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      4.300     2.300     1.200 peak    40 weight  0.10000E+01 volume  0.22231E+01 ppm1      9.501 ppm2      4.578
 ASSI {   42}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HA  "))
      5.500     3.800     0.000 peak    42 weight  0.10000E+01 volume  0.12320E+00 ppm1      9.361 ppm2      4.569
 ASSI {   43}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HA  "))
      5.500     3.800     0.000 peak    43 weight  0.10000E+01 volume  0.33440E+00 ppm1      9.359 ppm2      4.725
 ASSI {   46}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HA  "))
      5.500     3.800     0.000 peak    46 weight  0.10000E+01 volume  0.44930E+00 ppm1      9.306 ppm2      4.777
 ASSI {   47}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HA  "))
      4.600     2.600     0.900 peak    47 weight  0.10000E+01 volume  0.15860E+01 ppm1      9.304 ppm2      4.845
 ASSI {   48}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      4.100     2.100     1.400 peak    48 weight  0.10000E+01 volume  0.29629E+01 ppm1      9.276 ppm2      4.810
 ASSI {   49}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HA  "))
      4.500     2.500     1.000 peak    49 weight  0.10000E+01 volume  0.18620E+01 ppm1      9.208 ppm2      4.847
 ASSI {   50}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      5.000     3.100     0.500 peak    50 weight  0.10000E+01 volume  0.91090E+00 ppm1      9.071 ppm2      4.811
 ASSI {   53}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      5.500     3.800     0.000 peak    53 weight  0.10000E+01 volume  0.10260E+00 ppm1      8.898 ppm2      4.575
 ASSI {   54}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HA  "))
      5.000     3.100     0.500 peak    54 weight  0.10000E+01 volume -0.24800E+00 ppm1      8.967 ppm2      4.634
 ASSI {   56}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HA  "))
      5.000     3.100     0.500 peak    56 weight  0.10000E+01 volume  0.95990E+00 ppm1      9.085 ppm2      4.641
 ASSI {   57}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
      5.500     3.800     0.000 peak    57 weight  0.10000E+01 volume  0.48720E+00 ppm1      9.207 ppm2      4.677
 ASSI {   58}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      5.000     3.100     0.500 peak    58 weight  0.10000E+01 volume -0.53800E+00 ppm1      9.201 ppm2      4.579
 ASSI {   60}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HA  "))
      5.500     3.800     0.000 peak    60 weight  0.10000E+01 volume  0.43180E+00 ppm1      9.123 ppm2      4.496
 ASSI {   61}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HA  "))
      4.200     2.200     1.300 peak    61 weight  0.10000E+01 volume  0.26562E+01 ppm1      9.400 ppm2      4.419
 ASSI {   62}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HA  "))
      5.500     3.800     0.000 peak    62 weight  0.10000E+01 volume  0.25920E+00 ppm1      9.273 ppm2      4.418
 ASSI {   64}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HA  "))
      5.500     3.800     0.000 peak    64 weight  0.10000E+01 volume  0.24000E-02 ppm1      9.643 ppm2      4.226
 ASSI {   65}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HD1 "))
      5.500     3.800     0.000 peak    65 weight  0.10000E+01 volume  0.75900E-01 ppm1      9.646 ppm2      4.041
 ASSI {   66}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HD2 "))
      5.000     3.100     0.500 peak    66 weight  0.10000E+01 volume -0.38000E-01 ppm1      9.645 ppm2      3.818
 ASSI {   67}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HA  "))
      5.400     3.600     0.100 peak    67 weight  0.10000E+01 volume  0.57230E+00 ppm1      9.360 ppm2      4.244
 ASSI {   68}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HA  "))
      5.000     3.100     0.500 peak    68 weight  0.10000E+01 volume -0.50000E-02 ppm1      9.274 ppm2      4.176
 ASSI {   69}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB  "))
      5.000     3.100     0.500 peak    69 weight  0.10000E+01 volume -0.70300E+00 ppm1      9.361 ppm2      4.144
 ASSI {   70}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HA  "))
      5.500     3.800     0.000 peak    70 weight  0.10000E+01 volume  0.15740E+00 ppm1      9.394 ppm2      4.026
 ASSI {   72}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HB  "))
      5.000     3.100     0.500 peak    72 weight  0.10000E+01 volume -0.54800E+00 ppm1      9.391 ppm2      3.948
 ASSI {   73}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB2 "))
      5.500     3.800     0.000 peak    73 weight  0.10000E+01 volume  0.54080E+00 ppm1      9.360 ppm2      3.801
 ASSI {   74}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HB  "))
      5.000     3.100     0.500 peak    74 weight  0.10000E+01 volume -0.10000E-01 ppm1      9.274 ppm2      3.949
 ASSI {   75}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA2 "))
      5.500     3.800     0.000 peak    75 weight  0.10000E+01 volume  0.61000E-02 ppm1      9.272 ppm2      3.923
 OR {   75}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA1 "))
 ASSI {   76}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      5.000     3.100     0.500 peak    76 weight  0.10000E+01 volume -0.51000E-01 ppm1      9.123 ppm2      3.912
 ASSI {   77}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      5.000     3.100     0.500 peak    77 weight  0.10000E+01 volume -0.17700E+00 ppm1      9.123 ppm2      4.034
 ASSI {   78}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB1 "))
      5.300     3.500     0.200 peak    78 weight  0.10000E+01 volume  0.68110E+00 ppm1      9.123 ppm2      4.139
 ASSI {   79}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
      5.000     3.100     0.500 peak    79 weight  0.10000E+01 volume -0.18100E+00 ppm1      9.121 ppm2      4.204
 ASSI {   80}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HB2 "))
      4.800     2.900     0.700 peak    80 weight  0.10000E+01 volume  0.11906E+01 ppm1      9.087 ppm2      4.198
 ASSI {   81}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB2 "))
      5.300     3.500     0.200 peak    81 weight  0.10000E+01 volume  0.65170E+00 ppm1      8.967 ppm2      3.992
 ASSI {   86}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HB1 "))
      5.000     3.100     0.500 peak    86 weight  0.10000E+01 volume -0.53000E+00 ppm1      9.085 ppm2      3.275
 ASSI {   87}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HB1 "))
      4.900     3.000     0.600 peak    87 weight  0.10000E+01 volume  0.10138E+01 ppm1      8.896 ppm2      3.279
 ASSI {   89}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB2 "))
      5.000     3.100     0.500 peak    89 weight  0.10000E+01 volume -0.35000E-01 ppm1      8.854 ppm2      3.305
 ASSI {   92}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HB1 "))
      5.500     3.800     0.000 peak    92 weight  0.10000E+01 volume  0.23170E+00 ppm1      8.967 ppm2      2.786
 ASSI {   93}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB1 "))
      5.500     3.800     0.000 peak    93 weight  0.10000E+01 volume  0.81700E-01 ppm1      8.859 ppm2      2.879
 ASSI {   94}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HG2 "))
      4.700     2.800     0.800 peak    94 weight  0.10000E+01 volume  0.14257E+01 ppm1      8.965 ppm2      2.428
 OR {   94}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HG1 "))
 ASSI {   95}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG1 "))
      5.000     3.100     0.500 peak    95 weight  0.10000E+01 volume -0.19000E-01 ppm1      9.075 ppm2      2.499
 OR {   95}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG2 "))
 ASSI {   97}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB1 "))
      5.500     3.800     0.000 peak    97 weight  0.10000E+01 volume  0.26870E+00 ppm1      9.360 ppm2      2.693
 ASSI {   99}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HG1 "))
      5.500     3.800     0.000 peak    99 weight  0.10000E+01 volume  0.27670E+00 ppm1      9.305 ppm2      2.553
 OR {   99}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HG2 "))
 ASSI {  103}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB1 "))
      5.000     3.100     0.500 peak   103 weight  0.10000E+01 volume -0.62000E-01 ppm1      9.641 ppm2      2.057
 ASSI {  104}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HG2 "))
      5.000     3.100     0.500 peak   104 weight  0.10000E+01 volume -0.18900E+00 ppm1      9.400 ppm2      2.189
 OR {  104}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HG1 "))
 ASSI {  105}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB2 "))
      5.000     3.100     0.500 peak   105 weight  0.10000E+01 volume -0.60000E-02 ppm1      9.276 ppm2      2.162
 ASSI {  108}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB1 "))
      5.500     3.800     0.000 peak   108 weight  0.10000E+01 volume  0.25090E+00 ppm1      9.201 ppm2      1.962
 ASSI {  110}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HB  "))
      5.500     3.800     0.000 peak   110 weight  0.10000E+01 volume  0.40500E+00 ppm1      9.207 ppm2      1.820
 ASSI {  112}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HB2 "))
      5.000     3.100     0.500 peak   112 weight  0.10000E+01 volume -0.19000E-01 ppm1      9.273 ppm2      1.920
 OR {  112}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HB1 "))
 ASSI {  113}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HB  "))
      5.000     3.100     0.500 peak   113 weight  0.10000E+01 volume -0.37100E+00 ppm1      9.494 ppm2      1.823
 ASSI {  114}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB2 "))
      5.000     3.100     0.500 peak   114 weight  0.10000E+01 volume -0.48000E-01 ppm1      9.642 ppm2      1.897
 ASSI {  115}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HB  "))
      5.000     3.100     0.500 peak   115 weight  0.10000E+01 volume -0.18500E+00 ppm1      9.637 ppm2      1.749
 ASSI {  120}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HG  "))
      5.000     3.100     0.500 peak   120 weight  0.10000E+01 volume -0.44100E+00 ppm1      9.501 ppm2      1.648
 ASSI {  121}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HB2 "))
      5.000     3.100     0.500 peak   121 weight  0.10000E+01 volume -0.57900E+00 ppm1      9.498 ppm2      1.728
 ASSI {  125}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB1 "))
      5.000     3.100     0.500 peak   125 weight  0.10000E+01 volume -0.24000E+00 ppm1      9.274 ppm2      1.712
 OR {  125}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB2 "))
 ASSI {  128}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG12"))
      5.500     3.800     0.000 peak   128 weight  0.10000E+01 volume  0.35470E+00 ppm1      9.207 ppm2      1.448
 ASSI {  130}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      5.000     3.100     0.500 peak   130 weight  0.10000E+01 volume -0.26300E+00 ppm1      9.123 ppm2      1.439
 ASSI {  137}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB2 "))
      5.000     3.100     0.500 peak   137 weight  0.10000E+01 volume -0.47100E+00 ppm1      9.123 ppm2      1.919
 ASSI {  142}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
      5.000     3.100     0.500 peak   142 weight  0.10000E+01 volume -0.20200E+00 ppm1      9.636 ppm2      1.078
 ASSI {  143}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG12"))
      5.000     3.100     0.500 peak   143 weight  0.10000E+01 volume -0.55000E-01 ppm1      9.645 ppm2      0.948
 OR {  143}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG11"))
 ASSI {  144}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      5.000     3.100     0.500 peak   144 weight  0.10000E+01 volume -0.67800E+00 ppm1      9.643 ppm2      0.828
 ASSI {  147}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG11"))
      5.000     3.100     0.500 peak   147 weight  0.10000E+01 volume -0.94400E+00 ppm1      9.498 ppm2      1.098
 OR {  147}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG12"))
 ASSI {  148}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB1 "))
      5.000     3.100     0.500 peak   148 weight  0.10000E+01 volume  0.89990E+00 ppm1      9.400 ppm2      1.228
 ASSI {  149}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      5.000     3.100     0.500 peak   149 weight  0.10000E+01 volume -0.82900E+00 ppm1      9.393 ppm2      1.156
 ASSI {  150}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      5.000     3.100     0.500 peak   150 weight  0.10000E+01 volume -0.13500E+01 ppm1      9.397 ppm2      0.840
 ASSI {  153}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HG21")
     OR 
    ( segid "    " and resid "10  " and name "HG23")
     OR 
    ( segid "    " and resid "10  " and name "HG22"))
      5.000     3.100     0.500 peak   153 weight  0.10000E+01 volume -0.56300E+00 ppm1      9.360 ppm2      1.178
 ASSI {  156}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      5.000     3.100     0.500 peak   156 weight  0.10000E+01 volume -0.53400E+00 ppm1      9.301 ppm2      0.827
 OR {  156}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 ASSI {  158}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
      5.000     3.100     0.500 peak   158 weight  0.10000E+01 volume -0.98800E+00 ppm1      9.303 ppm2      0.717
 ASSI {  159}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
      5.000     3.100     0.500 peak   159 weight  0.10000E+01 volume -0.40300E+00 ppm1      9.208 ppm2      0.718
 ASSI {  161}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      5.000     3.100     0.500 peak   161 weight  0.10000E+01 volume -0.69200E+00 ppm1      9.201 ppm2      0.831
 OR {  161}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 ASSI {  162}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG11"))
      5.000     3.100     0.500 peak   162 weight  0.10000E+01 volume -0.77600E+00 ppm1      9.209 ppm2      1.051
 OR {  162}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG12"))
 ASSI {  163}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG11"))
      5.500     3.800     0.000 peak   163 weight  0.10000E+01 volume  0.25180E+00 ppm1      9.207 ppm2      1.100
 OR {  163}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG12"))
 ASSI {  164}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      5.500     3.800     0.000 peak   164 weight  0.10000E+01 volume  0.35280E+00 ppm1      9.071 ppm2      1.289
 ASSI {  167}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      5.000     3.100     0.500 peak   167 weight  0.10000E+01 volume -0.56290E+01 ppm1      8.895 ppm2      0.767
 OR {  167}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI {  168}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
      5.000     3.100     0.500 peak   168 weight  0.10000E+01 volume -0.18990E+01 ppm1      8.897 ppm2      0.724
 ASSI {  171}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
      5.000     3.100     0.500 peak   171 weight  0.10000E+01 volume -0.14150E+01 ppm1      8.680 ppm2      0.942
 ASSI {  172}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      5.000     3.100     0.500 peak   172 weight  0.10000E+01 volume -0.60500E+00 ppm1      8.828 ppm2      1.170
 ASSI {  173}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      5.000     3.100     0.500 peak   173 weight  0.10000E+01 volume -0.92300E+00 ppm1      8.856 ppm2      1.168
 ASSI {  174}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      5.000     3.100     0.500 peak   174 weight  0.10000E+01 volume -0.84000E-01 ppm1      8.901 ppm2      1.292
 ASSI {  175}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG12"))
      5.500     3.800     0.000 peak   175 weight  0.10000E+01 volume  0.25080E+00 ppm1      8.680 ppm2      1.248
 OR {  175}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG11"))
 ASSI {  177}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      5.000     3.100     0.500 peak   177 weight  0.10000E+01 volume -0.17240E+01 ppm1      8.555 ppm2      0.839
 OR {  177}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
 ASSI {  179}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
      5.000     3.100     0.500 peak   179 weight  0.10000E+01 volume -0.36900E+00 ppm1      8.453 ppm2      0.733
 ASSI {  181}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
      5.000     3.100     0.500 peak   181 weight  0.10000E+01 volume -0.23200E+01 ppm1      8.415 ppm2      0.735
 ASSI {  184}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      5.000     3.100     0.500 peak   184 weight  0.10000E+01 volume -0.12620E+01 ppm1      8.454 ppm2      0.861
 ASSI {  186}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG12"))
      5.000     3.100     0.500 peak   186 weight  0.10000E+01 volume -0.12350E+01 ppm1      8.457 ppm2      0.952
 ASSI {  191}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      5.000     3.100     0.500 peak   191 weight  0.10000E+01 volume -0.40000E-02 ppm1      8.297 ppm2      0.991
 ASSI {  192}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
      5.500     3.800     0.000 peak   192 weight  0.10000E+01 volume  0.26630E+00 ppm1      8.409 ppm2      1.049
 OR {  192}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
 ASSI {  196}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      5.000     3.100     0.500 peak   196 weight  0.10000E+01 volume -0.50100E+00 ppm1      8.564 ppm2      1.155
 ASSI {  197}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HG21")
     OR 
    ( segid "    " and resid "7   " and name "HG23")
     OR 
    ( segid "    " and resid "7   " and name "HG22"))
      5.000     3.100     0.500 peak   197 weight  0.10000E+01 volume -0.31000E+00 ppm1      8.591 ppm2      0.920
 ASSI {  198}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      5.000     3.100     0.500 peak   198 weight  0.10000E+01 volume -0.71900E+00 ppm1      8.584 ppm2      0.952
 ASSI {  200}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB1 "))
      5.300     3.500     0.200 peak   200 weight  0.10000E+01 volume  0.69940E+00 ppm1      8.485 ppm2      1.230
 ASSI {  202}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      5.000     3.100     0.500 peak   202 weight  0.10000E+01 volume -0.47000E-01 ppm1      8.564 ppm2      1.290
 ASSI {  211}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HG  "))
      5.100     3.300     0.400 peak   211 weight  0.10000E+01 volume  0.79880E+00 ppm1      8.894 ppm2      1.647
 ASSI {  213}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HG1 "))
      5.000     3.100     0.500 peak   213 weight  0.10000E+01 volume -0.34000E+00 ppm1      8.814 ppm2      1.703
 OR {  213}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HG2 "))
 ASSI {  214}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HB1 "))
      5.500     3.800     0.000 peak   214 weight  0.10000E+01 volume  0.23780E+00 ppm1      8.814 ppm2      1.787
 ASSI {  215}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB1 "))
      5.000     3.100     0.500 peak   215 weight  0.10000E+01 volume -0.11700E+00 ppm1      8.963 ppm2      1.873
 ASSI {  216}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HB  "))
      5.000     3.100     0.500 peak   216 weight  0.10000E+01 volume -0.15500E+00 ppm1      8.898 ppm2      1.889
 ASSI {  218}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB1 "))
      5.000     3.100     0.500 peak   218 weight  0.10000E+01 volume -0.53700E+00 ppm1      8.663 ppm2      1.712
 OR {  218}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB2 "))
 ASSI {  223}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HB  "))
      5.000     3.100     0.500 peak   223 weight  0.10000E+01 volume -0.18200E+00 ppm1      8.680 ppm2      1.938
 ASSI {  224}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HB  "))
      5.500     3.800     0.000 peak   224 weight  0.10000E+01 volume  0.65500E-01 ppm1      8.591 ppm2      2.076
 ASSI {  225}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HB2 "))
      5.500     3.800     0.000 peak   225 weight  0.10000E+01 volume  0.18900E-01 ppm1      8.591 ppm2      1.991
 OR {  225}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HB1 "))
 ASSI {  226}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HG2 "))
      5.000     3.100     0.500 peak   226 weight  0.10000E+01 volume -0.27700E+00 ppm1      8.583 ppm2      1.691
 ASSI {  227}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HG1 "))
      5.000     3.100     0.500 peak   227 weight  0.10000E+01 volume -0.21900E+00 ppm1      8.583 ppm2      1.571
 ASSI {  228}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      5.500     3.800     0.000 peak   228 weight  0.10000E+01 volume  0.55800E-01 ppm1      8.560 ppm2      1.436
 ASSI {  229}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HB1 "))
      5.000     3.100     0.500 peak   229 weight  0.10000E+01 volume -0.47200E+00 ppm1      8.560 ppm2      1.793
 ASSI {  230}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB  "))
      5.000     3.100     0.500 peak   230 weight  0.10000E+01 volume -0.14000E-01 ppm1      8.550 ppm2      1.866
 ASSI {  234}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HG2 "))
      5.000     3.100     0.500 peak   234 weight  0.10000E+01 volume -0.52600E+00 ppm1      8.482 ppm2      2.152
 ASSI {  235}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG1 "))
      4.700     2.800     0.800 peak   235 weight  0.10000E+01 volume  0.13266E+01 ppm1      8.484 ppm2      2.076
 ASSI {  236}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB2 "))
      5.000     3.100     0.500 peak   236 weight  0.10000E+01 volume -0.32700E+00 ppm1      8.487 ppm2      2.026
 ASSI {  245}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG12"))
      5.300     3.500     0.200 peak   245 weight  0.10000E+01 volume  0.65550E+00 ppm1      8.456 ppm2      1.509
 ASSI {  246}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG12"))
      5.400     3.600     0.100 peak   246 weight  0.10000E+01 volume  0.57010E+00 ppm1      8.417 ppm2      1.457
 ASSI {  251}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB1 "))
      5.000     3.100     0.500 peak   251 weight  0.10000E+01 volume -0.96000E-01 ppm1      8.451 ppm2      1.961
 ASSI {  252}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB2 "))
      4.700     2.800     0.800 peak   252 weight  0.10000E+01 volume  0.13815E+01 ppm1      8.451 ppm2      2.026
 ASSI {  253}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB1 "))
      5.000     3.100     0.500 peak   253 weight  0.10000E+01 volume -0.32700E+00 ppm1      8.414 ppm2      2.054
 ASSI {  254}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HB  "))
      5.000     3.100     0.500 peak   254 weight  0.10000E+01 volume -0.29900E+00 ppm1      8.411 ppm2      2.132
 ASSI {  255}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HG2 "))
      5.000     3.100     0.500 peak   255 weight  0.10000E+01 volume -0.83000E-01 ppm1      8.454 ppm2      2.146
 ASSI {  256}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HG1 "))
      5.500     3.800     0.000 peak   256 weight  0.10000E+01 volume  0.23810E+00 ppm1      8.454 ppm2      2.242
 ASSI {  264}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB1 "))
      4.700     2.800     0.800 peak   264 weight  0.10000E+01 volume  0.13795E+01 ppm1      8.550 ppm2      2.918
 ASSI {  266}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HB2 "))
      4.900     3.000     0.600 peak   266 weight  0.10000E+01 volume  0.10281E+01 ppm1      8.678 ppm2      2.759
 ASSI {  277}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HA  "))
      5.500     3.800     0.000 peak   277 weight  0.10000E+01 volume  0.54100E-01 ppm1      8.845 ppm2      3.975
 ASSI {  279}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HA  "))
      5.000     3.100     0.500 peak   279 weight  0.10000E+01 volume  0.93020E+00 ppm1      8.814 ppm2      3.976
 ASSI {  280}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HB2 "))
      5.000     3.100     0.500 peak   280 weight  0.10000E+01 volume -0.52100E+00 ppm1      8.895 ppm2      4.200
 ASSI {  283}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
      5.000     3.100     0.500 peak   283 weight  0.10000E+01 volume -0.70000E-02 ppm1      8.832 ppm2      4.278
 ASSI {  285}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HA  "))
      5.000     3.100     0.500 peak   285 weight  0.10000E+01 volume -0.20300E+00 ppm1      8.702 ppm2      4.634
 ASSI {  286}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HA  "))
      5.000     3.100     0.500 peak   286 weight  0.10000E+01 volume -0.46000E+00 ppm1      8.681 ppm2      4.568
 ASSI {  288}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HA  "))
      5.400     3.600     0.100 peak   288 weight  0.10000E+01 volume  0.61590E+00 ppm1      8.504 ppm2      4.616
 ASSI {  290}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HA  "))
      5.000     3.100     0.500 peak   290 weight  0.10000E+01 volume -0.32900E+01 ppm1      8.479 ppm2      4.675
 ASSI {  291}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
      5.000     3.100     0.500 peak   291 weight  0.10000E+01 volume -0.33730E+01 ppm1      8.455 ppm2      4.678
 ASSI {  294}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HA  "))
      5.500     3.800     0.000 peak   294 weight  0.10000E+01 volume  0.23020E+00 ppm1      8.454 ppm2      4.462
 ASSI {  295}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HA  "))
      5.000     3.100     0.500 peak   295 weight  0.10000E+01 volume -0.17000E-01 ppm1      8.491 ppm2      4.469
 ASSI {  298}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HA  "))
      4.500     2.500     1.000 peak   298 weight  0.10000E+01 volume  0.18098E+01 ppm1      8.417 ppm2      4.222
 ASSI {  300}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HA  "))
      4.400     2.400     1.100 peak   300 weight  0.10000E+01 volume  0.21134E+01 ppm1      8.484 ppm2      4.176
 ASSI {  305}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HA  "))
      4.500     2.500     1.000 peak   305 weight  0.10000E+01 volume  0.18044E+01 ppm1      8.702 ppm2      4.233
 ASSI {  307}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HA  "))
      5.500     3.800     0.000 peak   307 weight  0.10000E+01 volume  0.12580E+00 ppm1      8.676 ppm2      4.106
 ASSI {  308}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
      4.800     2.900     0.700 peak   308 weight  0.10000E+01 volume  0.11591E+01 ppm1      8.663 ppm2      4.059
 ASSI {  309}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB2 "))
      5.000     3.100     0.500 peak   309 weight  0.10000E+01 volume -0.37100E+00 ppm1      8.702 ppm2      3.993
 ASSI {  310}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB1 "))
      5.000     3.100     0.500 peak   310 weight  0.10000E+01 volume  0.96760E+00 ppm1      8.702 ppm2      3.841
 ASSI {  311}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA2 "))
      5.000     3.100     0.500 peak   311 weight  0.10000E+01 volume -0.20000E-01 ppm1      8.665 ppm2      3.916
 OR {  311}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA1 "))
 ASSI {  313}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB1 "))
      5.000     3.100     0.500 peak   313 weight  0.10000E+01 volume -0.70000E-01 ppm1      8.504 ppm2      3.800
 OR {  313}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB2 "))
 ASSI {  315}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HB  "))
      4.700     2.800     0.800 peak   315 weight  0.10000E+01 volume  0.13023E+01 ppm1      8.564 ppm2      3.950
 ASSI {  317}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HD2 "))
      5.000     3.100     0.500 peak   317 weight  0.10000E+01 volume -0.40700E+00 ppm1      8.481 ppm2      3.956
 OR {  317}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HD1 "))
 ASSI {  326}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HA  "))
      5.500     3.800     0.000 peak   326 weight  0.10000E+01 volume  0.35340E+00 ppm1      8.856 ppm2      4.863
 ASSI {  328}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      4.700     2.800     0.800 peak   328 weight  0.10000E+01 volume  0.13478E+01 ppm1      8.564 ppm2      4.812
 ASSI {  330}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HA  "))
      5.500     3.800     0.000 peak   330 weight  0.10000E+01 volume  0.31780E+00 ppm1      8.482 ppm2      4.839
 ASSI {  331}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      5.100     3.300     0.400 peak   331 weight  0.10000E+01 volume  0.81550E+00 ppm1      8.481 ppm2      4.812
 ASSI {  332}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HA  "))
      5.500     3.800     0.000 peak   332 weight  0.10000E+01 volume  0.73300E-01 ppm1      8.453 ppm2      4.845
 ASSI {  333}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HA  "))
      5.000     3.100     0.500 peak   333 weight  0.10000E+01 volume  0.99020E+00 ppm1      8.414 ppm2      4.777
 ASSI {  336}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
      5.000     3.100     0.500 peak   336 weight  0.10000E+01 volume -0.40000E-02 ppm1      7.769 ppm2      5.400
 ASSI {  337}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "36  " and name "HA  "))
      5.500     3.800     0.000 peak   337 weight  0.10000E+01 volume  0.97000E-02 ppm1      8.048 ppm2      5.131
 ASSI {  338}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HA  "))
      5.000     3.100     0.500 peak   338 weight  0.10000E+01 volume -0.26000E-01 ppm1      7.921 ppm2      5.135
 ASSI {  339}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HA  "))
      5.500     3.800     0.000 peak   339 weight  0.10000E+01 volume  0.41990E+00 ppm1      7.769 ppm2      5.127
 ASSI {  340}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HA  "))
      5.500     3.800     0.000 peak   340 weight  0.10000E+01 volume  0.65200E-01 ppm1      7.721 ppm2      5.135
 ASSI {  341}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HA  "))
      5.500     3.800     0.000 peak   341 weight  0.10000E+01 volume  0.28630E+00 ppm1      7.771 ppm2      5.026
 ASSI {  343}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      5.000     3.100     0.500 peak   343 weight  0.10000E+01 volume -0.10000E-01 ppm1      7.928 ppm2      4.967
 ASSI {  344}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HA  "))
      5.400     3.600     0.100 peak   344 weight  0.10000E+01 volume  0.62470E+00 ppm1      7.922 ppm2      4.864
 ASSI {  347}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      5.100     3.300     0.400 peak   347 weight  0.10000E+01 volume  0.81650E+00 ppm1      7.770 ppm2      4.922
 ASSI {  349}
   (( segid "    " and resid "20  " and name "HD21"))
   (( segid "    " and resid "16  " and name "HA  "))
      5.500     3.800     0.000 peak   349 weight  0.10000E+01 volume  0.33980E+00 ppm1      7.554 ppm2      4.968
 ASSI {  351}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      5.200     3.400     0.300 peak   351 weight  0.10000E+01 volume  0.76850E+00 ppm1      7.771 ppm2      4.811
 ASSI {  354}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HA  "))
      3.500     1.500     1.700 peak   354 weight  0.10000E+01 volume  0.81333E+01 ppm1      8.257 ppm2      4.742
 ASSI {  356}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HA  "))
      4.100     2.100     1.400 peak   356 weight  0.10000E+01 volume  0.32297E+01 ppm1      8.186 ppm2      4.727
 ASSI {  358}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HA  "))
      5.000     3.100     0.500 peak   358 weight  0.10000E+01 volume -0.47350E+01 ppm1      8.046 ppm2      4.679
 ASSI {  359}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HA  "))
      3.100     1.200     1.400 peak   359 weight  0.10000E+01 volume  0.16411E+02 ppm1      7.927 ppm2      4.729
 ASSI {  360}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HA  "))
      5.000     3.100     0.500 peak   360 weight  0.10000E+01 volume -0.42010E+01 ppm1      7.660 ppm2      4.676
 ASSI {  361}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HA  "))
      5.000     3.100     0.500 peak   361 weight  0.10000E+01 volume -0.35360E+01 ppm1      7.721 ppm2      4.670
 ASSI {  362}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HA  "))
      5.000     3.100     0.500 peak   362 weight  0.10000E+01 volume -0.13100E+01 ppm1      7.800 ppm2      4.618
 ASSI {  363}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HA  "))
      5.000     3.100     0.500 peak   363 weight  0.10000E+01 volume -0.32590E+01 ppm1      7.929 ppm2      4.634
 ASSI {  364}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HA  "))
      5.500     3.800     0.000 peak   364 weight  0.10000E+01 volume  0.68500E-01 ppm1      7.928 ppm2      4.579
 ASSI {  365}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HA  "))
      5.000     3.100     0.500 peak   365 weight  0.10000E+01 volume -0.88700E+00 ppm1      7.799 ppm2      4.569
 ASSI {  370}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      5.000     3.100     0.500 peak   370 weight  0.10000E+01 volume -0.86700E+00 ppm1      7.520 ppm2      4.495
 ASSI {  372}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HA  "))
      5.000     3.100     0.500 peak   372 weight  0.10000E+01 volume -0.59300E+00 ppm1      7.655 ppm2      4.495
 ASSI {  375}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      5.000     3.100     0.500 peak   375 weight  0.10000E+01 volume -0.12100E+01 ppm1      7.752 ppm2      4.496
 ASSI {  376}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HA  "))
      5.000     3.100     0.500 peak   376 weight  0.10000E+01 volume -0.20620E+01 ppm1      7.769 ppm2      4.426
 ASSI {  377}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      5.000     3.100     0.500 peak   377 weight  0.10000E+01 volume -0.14910E+01 ppm1      7.799 ppm2      4.493
 ASSI {  378}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HA  "))
      5.000     3.100     0.500 peak   378 weight  0.10000E+01 volume -0.15000E+00 ppm1      7.553 ppm2      4.321
 ASSI {  380}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HA  "))
      5.000     3.100     0.500 peak   380 weight  0.10000E+01 volume -0.28100E+00 ppm1      7.947 ppm2      4.341
 ASSI {  382}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HA  "))
      5.000     3.100     0.500 peak   382 weight  0.10000E+01 volume -0.34500E+00 ppm1      8.098 ppm2      4.534
 ASSI {  383}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      5.000     3.100     0.500 peak   383 weight  0.10000E+01 volume -0.28500E+00 ppm1      8.055 ppm2      4.495
 ASSI {  385}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HA  "))
      5.000     3.100     0.500 peak   385 weight  0.10000E+01 volume -0.34900E+00 ppm1      8.162 ppm2      4.533
 ASSI {  386}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HA  "))
      5.000     3.100     0.500 peak   386 weight  0.10000E+01 volume -0.11240E+01 ppm1      8.227 ppm2      4.531
 ASSI {  392}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HA  "))
      5.000     3.100     0.500 peak   392 weight  0.10000E+01 volume -0.95000E+00 ppm1      8.228 ppm2      4.421
 ASSI {  402}
   (( segid "    " and resid "7   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HA  "))
      5.000     3.100     0.500 peak   402 weight  0.10000E+01 volume -0.61200E+00 ppm1      8.057 ppm2      4.270
 ASSI {  403}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HA  "))
      5.000     3.100     0.500 peak   403 weight  0.10000E+01 volume -0.47700E+00 ppm1      8.089 ppm2      4.269
 ASSI {  404}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
      5.000     3.100     0.500 peak   404 weight  0.10000E+01 volume -0.19600E+00 ppm1      8.056 ppm2      4.211
 ASSI {  406}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HA  "))
      5.000     3.100     0.500 peak   406 weight  0.10000E+01 volume  0.97460E+00 ppm1      8.087 ppm2      4.114
 ASSI {  408}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD2 "))
      5.500     3.800     0.000 peak   408 weight  0.10000E+01 volume  0.16830E+00 ppm1      8.064 ppm2      4.001
 ASSI {  409}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB1 "))
      5.500     3.800     0.000 peak   409 weight  0.10000E+01 volume  0.19510E+00 ppm1      8.095 ppm2      3.989
 OR {  409}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB2 "))
 ASSI {  410}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      4.800     2.900     0.700 peak   410 weight  0.10000E+01 volume  0.12864E+01 ppm1      8.087 ppm2      3.911
 ASSI {  411}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HA  "))
      4.800     2.900     0.700 peak   411 weight  0.10000E+01 volume  0.11803E+01 ppm1      8.057 ppm2      3.905
 ASSI {  415}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HA  "))
      5.200     3.400     0.300 peak   415 weight  0.10000E+01 volume  0.77840E+00 ppm1      8.257 ppm2      4.222
 ASSI {  416}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
      5.400     3.600     0.100 peak   416 weight  0.10000E+01 volume  0.57910E+00 ppm1      8.216 ppm2      4.207
 ASSI {  417}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB1 "))
      5.500     3.800     0.000 peak   417 weight  0.10000E+01 volume  0.38760E+00 ppm1      8.217 ppm2      4.140
 ASSI {  419}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HA  "))
      5.400     3.600     0.100 peak   419 weight  0.10000E+01 volume  0.60120E+00 ppm1      8.158 ppm2      4.227
 ASSI {  422}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB1 "))
      5.500     3.800     0.000 peak   422 weight  0.10000E+01 volume  0.51330E+00 ppm1      8.306 ppm2      4.143
 ASSI {  424}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      5.500     3.800     0.000 peak   424 weight  0.10000E+01 volume  0.17470E+00 ppm1      8.309 ppm2      4.033
 ASSI {  427}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HA  "))
      5.000     3.100     0.500 peak   427 weight  0.10000E+01 volume -0.30000E-01 ppm1      8.228 ppm2      4.022
 ASSI {  428}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HA  "))
      4.900     3.000     0.600 peak   428 weight  0.10000E+01 volume  0.10128E+01 ppm1      8.161 ppm2      4.022
 ASSI {  435}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB2 "))
      4.700     2.800     0.800 peak   435 weight  0.10000E+01 volume  0.13253E+01 ppm1      8.047 ppm2      3.803
 ASSI {  436}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HD1 "))
      4.500     2.500     1.000 peak   436 weight  0.10000E+01 volume  0.18769E+01 ppm1      7.924 ppm2      3.702
 ASSI {  437}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HD2 "))
      5.500     3.800     0.000 peak   437 weight  0.10000E+01 volume  0.36900E-01 ppm1      7.924 ppm2      3.659
 ASSI {  438}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB2 "))
      5.000     3.100     0.500 peak   438 weight  0.10000E+01 volume -0.52000E+00 ppm1      7.799 ppm2      3.800
 OR {  438}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB1 "))
 ASSI {  440}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      4.900     3.000     0.600 peak   440 weight  0.10000E+01 volume  0.10747E+01 ppm1      7.946 ppm2      3.909
 ASSI {  441}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB1 "))
      4.900     3.000     0.600 peak   441 weight  0.10000E+01 volume  0.10231E+01 ppm1      7.946 ppm2      4.001
 OR {  441}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB2 "))
 ASSI {  445}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HA  "))
      5.000     3.100     0.500 peak   445 weight  0.10000E+01 volume -0.71000E+00 ppm1      7.945 ppm2      4.267
 ASSI {  446}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
      5.000     3.100     0.500 peak   446 weight  0.10000E+01 volume -0.69800E+00 ppm1      7.922 ppm2      4.269
 ASSI {  447}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      4.700     2.800     0.800 peak   447 weight  0.10000E+01 volume  0.12911E+01 ppm1      7.804 ppm2      3.910
 ASSI {  448}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA2 "))
      4.300     2.300     1.200 peak   448 weight  0.10000E+01 volume  0.21934E+01 ppm1      7.828 ppm2      3.916
 OR {  448}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA1 "))
 ASSI {  450}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HB  "))
      4.700     2.800     0.800 peak   450 weight  0.10000E+01 volume  0.14331E+01 ppm1      7.771 ppm2      3.950
 ASSI {  452}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB1 "))
      5.500     3.800     0.000 peak   452 weight  0.10000E+01 volume  0.24000E-01 ppm1      7.799 ppm2      4.008
 OR {  452}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB2 "))
 ASSI {  453}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
      5.100     3.300     0.400 peak   453 weight  0.10000E+01 volume  0.83350E+00 ppm1      7.827 ppm2      4.057
 ASSI {  455}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HA  "))
      5.000     3.100     0.500 peak   455 weight  0.10000E+01 volume -0.17900E+00 ppm1      7.827 ppm2      4.181
 ASSI {  456}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HA  "))
      5.500     3.800     0.000 peak   456 weight  0.10000E+01 volume  0.69400E-01 ppm1      7.800 ppm2      4.259
 ASSI {  458}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HA  "))
      5.000     3.100     0.500 peak   458 weight  0.10000E+01 volume -0.44800E+00 ppm1      7.751 ppm2      4.222
 ASSI {  459}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB2 "))
      5.000     3.100     0.500 peak   459 weight  0.10000E+01 volume -0.17000E-01 ppm1      8.048 ppm2      3.297
 ASSI {  462}
   (( segid "    " and resid "38  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB2 "))
      5.500     3.800     0.000 peak   462 weight  0.10000E+01 volume  0.27820E+00 ppm1      7.922 ppm2      3.311
 ASSI {  464}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HB1 "))
      5.000     3.100     0.500 peak   464 weight  0.10000E+01 volume  0.99460E+00 ppm1      7.793 ppm2      3.276
 ASSI {  466}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HB2 "))
      5.100     3.300     0.400 peak   466 weight  0.10000E+01 volume  0.81270E+00 ppm1      7.932 ppm2      3.014
 ASSI {  470}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB2 "))
      5.500     3.800     0.000 peak   470 weight  0.10000E+01 volume  0.48110E+00 ppm1      8.091 ppm2      2.820
 ASSI {  472}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB1 "))
      4.700     2.800     0.800 peak   472 weight  0.10000E+01 volume  0.13064E+01 ppm1      8.055 ppm2      2.876
 ASSI {  473}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB1 "))
      5.000     3.100     0.500 peak   473 weight  0.10000E+01 volume -0.17400E+00 ppm1      8.094 ppm2      2.920
 ASSI {  474}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HB1 "))
      5.000     3.100     0.500 peak   474 weight  0.10000E+01 volume  0.97480E+00 ppm1      7.930 ppm2      2.790
 ASSI {  481}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB1 "))
      5.100     3.300     0.400 peak   481 weight  0.10000E+01 volume  0.79770E+00 ppm1      8.047 ppm2      2.692
 ASSI {  483}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HB1 "))
      5.000     3.100     0.500 peak   483 weight  0.10000E+01 volume -0.76000E-01 ppm1      7.722 ppm2      2.723
 ASSI {  484}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG2 "))
      5.000     3.100     0.500 peak   484 weight  0.10000E+01 volume -0.31700E+00 ppm1      8.227 ppm2      2.496
 OR {  484}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG1 "))
 ASSI {  486}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB1 "))
      5.500     3.800     0.000 peak   486 weight  0.10000E+01 volume  0.39740E+00 ppm1      8.164 ppm2      2.400
 ASSI {  494}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HB  "))
      5.500     3.800     0.000 peak   494 weight  0.10000E+01 volume  0.67800E-01 ppm1      7.802 ppm2      2.243
 ASSI {  495}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HG1 "))
      5.000     3.100     0.500 peak   495 weight  0.10000E+01 volume -0.27900E+00 ppm1      7.767 ppm2      2.191
 OR {  495}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HG2 "))
 ASSI {  497}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HB  "))
      5.500     3.800     0.000 peak   497 weight  0.10000E+01 volume  0.55890E+00 ppm1      8.087 ppm2      2.240
 ASSI {  500}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB2 "))
      5.000     3.100     0.500 peak   500 weight  0.10000E+01 volume -0.62300E+00 ppm1      8.219 ppm2      2.165
 ASSI {  503}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG2 "))
      5.000     3.100     0.500 peak   503 weight  0.10000E+01 volume -0.11000E-01 ppm1      8.253 ppm2      2.014
 ASSI {  504}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB2 "))
      5.000     3.100     0.500 peak   504 weight  0.10000E+01 volume  0.91180E+00 ppm1      8.298 ppm2      2.052
 ASSI {  509}
   (( segid "    " and resid "7   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HB  "))
      5.000     3.100     0.500 peak   509 weight  0.10000E+01 volume -0.18000E+00 ppm1      8.060 ppm2      2.077
 ASSI {  512}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HB1 "))
      5.500     3.800     0.000 peak   512 weight  0.10000E+01 volume  0.72400E-01 ppm1      8.047 ppm2      1.991
 OR {  512}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HB2 "))
 ASSI {  515}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HG2 "))
      5.000     3.100     0.500 peak   515 weight  0.10000E+01 volume -0.75100E+00 ppm1      8.048 ppm2      1.691
 ASSI {  517}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      5.500     3.800     0.000 peak   517 weight  0.10000E+01 volume  0.45520E+00 ppm1      8.087 ppm2      1.559
 ASSI {  519}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB2 "))
      5.000     3.100     0.500 peak   519 weight  0.10000E+01 volume -0.58900E+00 ppm1      8.092 ppm2      1.753
 ASSI {  520}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB  "))
      5.000     3.100     0.500 peak   520 weight  0.10000E+01 volume  0.89310E+00 ppm1      8.087 ppm2      1.869
 ASSI {  523}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB1 "))
      5.500     3.800     0.000 peak   523 weight  0.10000E+01 volume  0.11960E+00 ppm1      8.157 ppm2      1.926
 ASSI {  525}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB2 "))
      5.000     3.100     0.500 peak   525 weight  0.10000E+01 volume -0.14100E+00 ppm1      8.157 ppm2      1.750
 ASSI {  528}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG12"))
      5.000     3.100     0.500 peak   528 weight  0.10000E+01 volume -0.38000E-01 ppm1      8.311 ppm2      1.513
 ASSI {  529}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HG  "))
      5.000     3.100     0.500 peak   529 weight  0.10000E+01 volume -0.52000E-01 ppm1      8.309 ppm2      1.591
 ASSI {  539}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB2 "))
      5.200     3.400     0.300 peak   539 weight  0.10000E+01 volume  0.77710E+00 ppm1      7.928 ppm2      2.070
 ASSI {  541}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB1 "))
      4.900     3.000     0.600 peak   541 weight  0.10000E+01 volume  0.11031E+01 ppm1      7.929 ppm2      1.868
 ASSI {  542}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HB2 "))
      5.000     3.100     0.500 peak   542 weight  0.10000E+01 volume -0.45000E-01 ppm1      7.948 ppm2      1.939
 ASSI {  544}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      5.000     3.100     0.500 peak   544 weight  0.10000E+01 volume -0.10150E+01 ppm1      7.945 ppm2      1.558
 ASSI {  547}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      4.600     2.600     0.900 peak   547 weight  0.10000E+01 volume  0.15802E+01 ppm1      7.801 ppm2      1.558
 ASSI {  548}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HG  "))
      5.000     3.100     0.500 peak   548 weight  0.10000E+01 volume -0.12890E+01 ppm1      7.752 ppm2      1.593
 ASSI {  549}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HB2 "))
      5.000     3.100     0.500 peak   549 weight  0.10000E+01 volume -0.39500E+00 ppm1      7.721 ppm2      1.620
 ASSI {  550}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HG1 "))
      5.000     3.100     0.500 peak   550 weight  0.10000E+01 volume -0.16420E+01 ppm1      7.722 ppm2      1.703
 OR {  550}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HG2 "))
 ASSI {  551}
   (( segid "    " and resid "35  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HB1 "))
      5.000     3.100     0.500 peak   551 weight  0.10000E+01 volume -0.51300E+00 ppm1      7.724 ppm2      1.782
 ASSI {  552}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB2 "))
      5.500     3.800     0.000 peak   552 weight  0.10000E+01 volume  0.34260E+00 ppm1      7.771 ppm2      1.695
 ASSI {  555}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HB2 "))
      5.000     3.100     0.500 peak   555 weight  0.10000E+01 volume -0.52000E-01 ppm1      7.771 ppm2      1.888
 ASSI {  557}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HB2 "))
      4.700     2.800     0.800 peak   557 weight  0.10000E+01 volume  0.12988E+01 ppm1      7.800 ppm2      1.940
 ASSI {  558}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB1 "))
      5.000     3.100     0.500 peak   558 weight  0.10000E+01 volume -0.52400E+00 ppm1      7.752 ppm2      2.051
 OR {  558}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB2 "))
 ASSI {  559}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      5.100     3.300     0.400 peak   559 weight  0.10000E+01 volume  0.82950E+00 ppm1      8.216 ppm2      1.438
 ASSI {  560}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
      5.000     3.100     0.500 peak   560 weight  0.10000E+01 volume -0.94000E-01 ppm1      8.228 ppm2      1.391
 OR {  560}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
 ASSI {  562}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HG1 "))
      5.000     3.100     0.500 peak   562 weight  0.10000E+01 volume -0.28100E+00 ppm1      8.159 ppm2      1.454
 ASSI {  569}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
      5.500     3.800     0.000 peak   569 weight  0.10000E+01 volume  0.23770E+00 ppm1      8.094 ppm2      1.401
 OR {  569}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
 ASSI {  570}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      5.500     3.800     0.000 peak   570 weight  0.10000E+01 volume  0.31720E+00 ppm1      8.057 ppm2      1.446
 ASSI {  572}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HG1 "))
      5.500     3.800     0.000 peak   572 weight  0.10000E+01 volume  0.24540E+00 ppm1      7.827 ppm2      1.449
 ASSI {  573}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HG2 "))
      5.500     3.800     0.000 peak   573 weight  0.10000E+01 volume  0.17190E+00 ppm1      7.771 ppm2      1.398
 ASSI {  574}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HB2 "))
      5.200     3.400     0.300 peak   574 weight  0.10000E+01 volume  0.74300E+00 ppm1      7.655 ppm2      1.823
 ASSI {  578}
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      5.000     3.100     0.500 peak   578 weight  0.10000E+01 volume -0.67000E-01 ppm1      7.770 ppm2      1.290
 ASSI {  579}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG12"))
      5.500     3.800     0.000 peak   579 weight  0.10000E+01 volume  0.24330E+00 ppm1      7.793 ppm2      1.250
 OR {  579}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG11"))
 ASSI {  582}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      5.000     3.100     0.500 peak   582 weight  0.10000E+01 volume -0.20000E-01 ppm1      8.227 ppm2      1.169
 ASSI {  583}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      5.000     3.100     0.500 peak   583 weight  0.10000E+01 volume -0.98400E+00 ppm1      8.258 ppm2      1.167
 ASSI {  584}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
      5.000     3.100     0.500 peak   584 weight  0.10000E+01 volume -0.28100E+00 ppm1      8.258 ppm2      1.049
 ASSI {  588}
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      5.000     3.100     0.500 peak   588 weight  0.10000E+01 volume -0.11700E+00 ppm1      8.186 ppm2      1.169
 ASSI {  597}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      5.000     3.100     0.500 peak   597 weight  0.10000E+01 volume  0.89280E+00 ppm1      8.087 ppm2      0.992
 ASSI {  598}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
      5.000     3.100     0.500 peak   598 weight  0.10000E+01 volume -0.11000E+00 ppm1      8.085 ppm2      0.966
 ASSI {  601}
   (( segid "    " and resid "7   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HG21")
     OR 
    ( segid "    " and resid "7   " and name "HG23")
     OR 
    ( segid "    " and resid "7   " and name "HG22"))
      5.500     3.800     0.000 peak   601 weight  0.10000E+01 volume  0.21340E+00 ppm1      8.057 ppm2      0.920
 ASSI {  608}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
      5.000     3.100     0.500 peak   608 weight  0.10000E+01 volume -0.68100E+00 ppm1      7.931 ppm2      0.764
 ASSI {  612}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      5.500     3.800     0.000 peak   612 weight  0.10000E+01 volume  0.28640E+00 ppm1      7.828 ppm2      1.154
 ASSI {  615}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      5.000     3.100     0.500 peak   615 weight  0.10000E+01 volume -0.30500E+00 ppm1      7.802 ppm2      0.992
 ASSI {  618}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      5.500     3.800     0.000 peak   618 weight  0.10000E+01 volume  0.79000E-01 ppm1      7.799 ppm2      0.838
 OR {  618}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 ASSI {  621}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      5.000     3.100     0.500 peak   621 weight  0.10000E+01 volume -0.38400E+00 ppm1      7.763 ppm2      0.838
 OR {  621}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
 ASSI {  626}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      5.000     3.100     0.500 peak   626 weight  0.10000E+01 volume -0.43300E+00 ppm1      7.663 ppm2      0.763
 ASSI {  631}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      4.700     2.800     0.800 peak   631 weight  0.10000E+01 volume  0.13367E+01 ppm1      7.259 ppm2      0.763
 OR {  631}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI {  632}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      4.000     4.000     0.500 peak   632 weight  0.10000E+01 volume  0.34373E+01 ppm1      7.297 ppm2      0.764
 ASSI {  636}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
      5.100     3.300     0.400 peak   636 weight  0.10000E+01 volume  0.84990E+00 ppm1      7.521 ppm2      0.768
 OR {  636}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
 ASSI {  640}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      5.000     3.100     0.500 peak   640 weight  0.10000E+01 volume -0.20700E+00 ppm1      7.521 ppm2      0.873
 ASSI {  641}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      5.000     3.100     0.500 peak   641 weight  0.10000E+01 volume -0.10000E+00 ppm1      7.520 ppm2      0.993
 ASSI {  643}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      3.700     1.700     1.800 peak   643 weight  0.10000E+01 volume  0.60674E+01 ppm1      7.270 ppm2      0.955
 ASSI {  644}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      5.500     3.800     0.000 peak   644 weight  0.10000E+01 volume  0.26500E-01 ppm1      7.474 ppm2      1.153
 ASSI {  645}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "10  " and name "HG21")
     OR 
    ( segid "    " and resid "10  " and name "HG23")
     OR 
    ( segid "    " and resid "10  " and name "HG22"))
      5.500     3.800     0.000 peak   645 weight  0.10000E+01 volume  0.92000E-01 ppm1      7.377 ppm2      1.174
 ASSI {  648}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
      5.000     3.100     0.500 peak   648 weight  0.10000E+01 volume -0.17000E-01 ppm1      7.274 ppm2      1.399
 OR {  648}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
 ASSI {  650}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HG1 "))
      5.500     3.800     0.000 peak   650 weight  0.10000E+01 volume  0.15100E-01 ppm1      7.472 ppm2      1.450
 ASSI {  652}
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      5.000     3.100     0.500 peak   652 weight  0.10000E+01 volume -0.14300E+00 ppm1      7.300 ppm2      1.438
 ASSI {  655}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG12"))
      5.000     3.100     0.500 peak   655 weight  0.10000E+01 volume -0.48300E+00 ppm1      7.299 ppm2      1.517
 ASSI {  666}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HB2 "))
      4.800     2.900     0.700 peak   666 weight  0.10000E+01 volume  0.12200E+01 ppm1      7.521 ppm2      1.944
 ASSI {  667}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HB1 "))
      5.000     3.100     0.500 peak   667 weight  0.10000E+01 volume -0.21500E+00 ppm1      7.474 ppm2      1.913
 OR {  667}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HB2 "))
 ASSI {  668}
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB1 "))
      5.100     3.300     0.400 peak   668 weight  0.10000E+01 volume  0.87380E+00 ppm1      7.295 ppm2      1.902
 ASSI {  669}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB1 "))
      5.500     3.800     0.000 peak   669 weight  0.10000E+01 volume  0.53310E+00 ppm1      7.257 ppm2      1.937
 ASSI {  675}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB2 "))
      5.000     3.100     0.500 peak   675 weight  0.10000E+01 volume -0.71900E+00 ppm1      7.523 ppm2      2.053
 OR {  675}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB1 "))
 ASSI {  677}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HB2 "))
      5.000     3.100     0.500 peak   677 weight  0.10000E+01 volume -0.11230E+01 ppm1      7.662 ppm2      2.121
 OR {  677}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HB1 "))
 ASSI {  680}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HB2 "))
      5.000     3.100     0.500 peak   680 weight  0.10000E+01 volume -0.21900E+00 ppm1      7.548 ppm2      2.056
 ASSI {  682}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HB1 "))
      5.500     3.800     0.000 peak   682 weight  0.10000E+01 volume  0.24510E+00 ppm1      7.655 ppm2      2.234
 ASSI {  683}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HB1 "))
      5.500     3.800     0.000 peak   683 weight  0.10000E+01 volume  0.21070E+00 ppm1      7.552 ppm2      2.196
 ASSI {  684}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB2 "))
      5.000     3.100     0.500 peak   684 weight  0.10000E+01 volume -0.11720E+01 ppm1      7.473 ppm2      2.161
 ASSI {  685}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HB1 "))
      5.000     3.100     0.500 peak   685 weight  0.10000E+01 volume -0.41200E+00 ppm1      7.283 ppm2      2.235
 ASSI {  687}
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HB  "))
      5.000     3.100     0.500 peak   687 weight  0.10000E+01 volume -0.37300E+00 ppm1      7.299 ppm2      2.407
 ASSI {  689}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB1 "))
      5.500     3.800     0.000 peak   689 weight  0.10000E+01 volume  0.76000E-01 ppm1      7.473 ppm2      2.396
 ASSI {  690}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HG1 "))
      5.000     3.100     0.500 peak   690 weight  0.10000E+01 volume -0.31800E+00 ppm1      7.662 ppm2      2.358
 ASSI {  692}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG1 "))
      5.500     3.800     0.000 peak   692 weight  0.10000E+01 volume  0.75500E-01 ppm1      7.474 ppm2      2.493
 OR {  692}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG2 "))
 ASSI {  695}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HB1 "))
      4.600     2.600     0.900 peak   695 weight  0.10000E+01 volume  0.15451E+01 ppm1      7.243 ppm2      2.722
 ASSI {  697}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "35  " and name "HB1 "))
      2.400     0.700     0.900 peak   697 weight  0.10000E+01 volume  0.71632E+02 ppm1      7.270 ppm2      2.722
 ASSI {  700}
   (( segid "    " and resid "20  " and name "HD21"))
   (( segid "    " and resid "16  " and name "HB1 "))
      5.300     3.500     0.200 peak   700 weight  0.10000E+01 volume  0.66930E+00 ppm1      7.554 ppm2      2.786
 ASSI {  701}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "35  " and name "HB1 "))
      3.700     1.700     1.800 peak   701 weight  0.10000E+01 volume  0.56280E+01 ppm1      7.379 ppm2      2.726
 ASSI {  702}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB1 "))
      5.500     3.800     0.000 peak   702 weight  0.10000E+01 volume  0.18520E+00 ppm1      7.245 ppm2      2.878
 ASSI {  711}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "35  " and name "HB2 "))
      2.500     0.800     1.000 peak   711 weight  0.10000E+01 volume  0.57604E+02 ppm1      7.269 ppm2      3.280
 ASSI {  715}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "35  " and name "HB2 "))
      3.800     1.800     1.700 peak   715 weight  0.10000E+01 volume  0.52843E+01 ppm1      7.379 ppm2      3.283
 ASSI {  722}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HG2 "))
      5.500     3.800     0.000 peak   722 weight  0.10000E+01 volume  0.26630E+00 ppm1      7.661 ppm2      2.675
 ASSI {  724}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HD2 "))
      5.500     3.800     0.000 peak   724 weight  0.10000E+01 volume  0.10080E+00 ppm1      7.656 ppm2      3.956
 OR {  724}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HD1 "))
 ASSI {  725}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      5.000     3.100     0.500 peak   725 weight  0.10000E+01 volume -0.65300E+00 ppm1      7.656 ppm2      4.034
 ASSI {  726}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HA  "))
      5.000     3.100     0.500 peak   726 weight  0.10000E+01 volume -0.37000E+00 ppm1      7.664 ppm2      4.175
 ASSI {  727}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HA  "))
      5.000     3.100     0.500 peak   727 weight  0.10000E+01 volume -0.10020E+01 ppm1      7.664 ppm2      4.285
 ASSI {  729}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HA  "))
      5.000     3.100     0.500 peak   729 weight  0.10000E+01 volume -0.92900E+00 ppm1      7.553 ppm2      4.247
 ASSI {  730}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HA  "))
      5.000     3.100     0.500 peak   730 weight  0.10000E+01 volume -0.19300E+00 ppm1      7.520 ppm2      4.226
 ASSI {  731}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HA  "))
      5.200     3.400     0.300 peak   731 weight  0.10000E+01 volume  0.78600E+00 ppm1      7.520 ppm2      4.113
 ASSI {  732}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HA  "))
      5.000     3.100     0.500 peak   732 weight  0.10000E+01 volume -0.76300E+00 ppm1      7.474 ppm2      4.177
 ASSI {  733}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
      5.500     3.800     0.000 peak   733 weight  0.10000E+01 volume  0.23200E-01 ppm1      7.473 ppm2      4.059
 ASSI {  734}
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      5.500     3.800     0.000 peak   734 weight  0.10000E+01 volume  0.17320E+00 ppm1      7.521 ppm2      3.907
 ASSI {  735}
   (( segid "    " and resid "50  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA2 "))
      5.000     3.100     0.500 peak   735 weight  0.10000E+01 volume  0.97460E+00 ppm1      7.474 ppm2      3.916
 ASSI {  736}
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HA  "))
      4.400     2.400     1.100 peak   736 weight  0.10000E+01 volume  0.19391E+01 ppm1      7.300 ppm2      3.896
 ASSI {  737}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      5.000     3.100     0.500 peak   737 weight  0.10000E+01 volume  0.93000E+00 ppm1      7.288 ppm2      4.034
 ASSI {  738}
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB1 "))
      4.000     2.000     1.500 peak   738 weight  0.10000E+01 volume  0.33790E+01 ppm1      7.287 ppm2      4.139
 ASSI {  739}
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
      5.000     3.100     0.500 peak   739 weight  0.10000E+01 volume -0.73700E+00 ppm1      7.299 ppm2      4.207
 ASSI {  741}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HA  "))
      4.900     3.000     0.600 peak   741 weight  0.10000E+01 volume  0.11197E+01 ppm1      7.285 ppm2      4.285
 ASSI {  742}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HA  "))
      5.000     3.100     0.500 peak   742 weight  0.10000E+01 volume -0.84300E+00 ppm1      7.269 ppm2      4.417
 ASSI {  746}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HA  "))
      5.000     3.100     0.500 peak   746 weight  0.10000E+01 volume -0.22730E+01 ppm1      7.285 ppm2      4.496
 ASSI {  747}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HA  "))
      5.000     3.100     0.500 peak   747 weight  0.10000E+01 volume -0.50300E+00 ppm1      7.269 ppm2      4.532
 ASSI {  749}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "35  " and name "HA  "))
      2.600     0.800     1.000 peak   749 weight  0.10000E+01 volume  0.47567E+02 ppm1      7.268 ppm2      4.668
 ASSI {  751}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HA  "))
      5.000     3.100     0.500 peak   751 weight  0.10000E+01 volume -0.36610E+01 ppm1      7.244 ppm2      4.670
 ASSI {  754}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HA  "))
      3.400     1.400     1.600 peak   754 weight  0.10000E+01 volume  0.88728E+01 ppm1      7.236 ppm2      4.728
 ASSI {  757}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HA  "))
      5.500     3.800     0.000 peak   757 weight  0.10000E+01 volume  0.12250E+00 ppm1      7.244 ppm2      4.864
 ASSI {  758}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      5.000     3.100     0.500 peak   758 weight  0.10000E+01 volume -0.60000E-02 ppm1      7.267 ppm2      4.925
 ASSI {  760}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HA  "))
      5.100     3.300     0.400 peak   760 weight  0.10000E+01 volume  0.79920E+00 ppm1      7.245 ppm2      5.135
 ASSI {  761}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HN  "))
      5.000     3.100     0.500 peak   761 weight  0.10000E+01 volume -0.11410E+01 ppm1     10.471 ppm2      9.358
 ASSI {  762}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HN  "))
      5.000     3.100     0.500 peak   762 weight  0.10000E+01 volume -0.20000E-02 ppm1      9.643 ppm2      9.199
 ASSI {  763}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HN  "))
      5.500     3.800     0.000 peak   763 weight  0.10000E+01 volume  0.10180E+00 ppm1      9.498 ppm2      9.200
 ASSI {  765}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HN  "))
      5.000     3.100     0.500 peak   765 weight  0.10000E+01 volume -0.97000E-01 ppm1      9.270 ppm2      9.068
 ASSI {  766}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HN  "))
      4.800     2.900     0.700 peak   766 weight  0.10000E+01 volume  0.12044E+01 ppm1      9.299 ppm2      9.207
 ASSI {  767}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HN  "))
      5.000     3.100     0.500 peak   767 weight  0.10000E+01 volume -0.17100E+00 ppm1      9.502 ppm2      8.891
 ASSI {  768}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HN  "))
      5.000     3.100     0.500 peak   768 weight  0.10000E+01 volume -0.30000E-01 ppm1      9.304 ppm2      8.895
 ASSI {  769}
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HN  "))
      5.500     3.800     0.000 peak   769 weight  0.10000E+01 volume  0.13610E+00 ppm1      9.360 ppm2      8.677
 ASSI {  770}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HN  "))
      5.000     3.100     0.500 peak   770 weight  0.10000E+01 volume -0.84000E-01 ppm1      9.392 ppm2      8.560
 ASSI {  771}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HN  "))
      5.000     3.100     0.500 peak   771 weight  0.10000E+01 volume -0.44000E-01 ppm1      9.498 ppm2      8.558
 ASSI {  773}
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HN  "))
      5.000     3.100     0.500 peak   773 weight  0.10000E+01 volume -0.17000E-01 ppm1      9.639 ppm2      8.448
 ASSI {  775}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HN  "))
      5.500     3.800     0.000 peak   775 weight  0.10000E+01 volume  0.19930E+00 ppm1      9.274 ppm2      8.557
 ASSI {  776}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HN  "))
      5.000     3.100     0.500 peak   776 weight  0.10000E+01 volume -0.46400E+00 ppm1      9.208 ppm2      8.482
 ASSI {  777}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HN  "))
      5.000     3.100     0.500 peak   777 weight  0.10000E+01 volume -0.52600E+00 ppm1      9.395 ppm2      8.227
 ASSI {  778}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HN  "))
      5.500     3.800     0.000 peak   778 weight  0.10000E+01 volume  0.31900E-01 ppm1      9.277 ppm2      8.227
 ASSI {  779}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HN  "))
      5.300     3.500     0.200 peak   779 weight  0.10000E+01 volume  0.66360E+00 ppm1      9.123 ppm2      8.214
 ASSI {  780}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HN  "))
      5.000     3.100     0.500 peak   780 weight  0.10000E+01 volume -0.32500E+00 ppm1      9.073 ppm2      8.480
 ASSI {  781}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      5.500     3.800     0.000 peak   781 weight  0.10000E+01 volume  0.43570E+00 ppm1      9.088 ppm2      8.699
 ASSI {  783}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HN  "))
      4.600     2.600     0.900 peak   783 weight  0.10000E+01 volume  0.16065E+01 ppm1      9.081 ppm2      8.894
 ASSI {  784}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HN  "))
      5.000     3.100     0.500 peak   784 weight  0.10000E+01 volume -0.38700E+00 ppm1      9.399 ppm2      7.767
 ASSI {  785}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      5.000     3.100     0.500 peak   785 weight  0.10000E+01 volume -0.18400E+00 ppm1      9.275 ppm2      7.472
 ASSI {  788}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HN  "))
      5.500     3.800     0.000 peak   788 weight  0.10000E+01 volume  0.28050E+00 ppm1      8.855 ppm2      7.716
 ASSI {  789}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HN  "))
      5.000     3.100     0.500 peak   789 weight  0.10000E+01 volume -0.46100E+00 ppm1      8.814 ppm2      7.716
 ASSI {  790}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HN  "))
      5.000     3.100     0.500 peak   790 weight  0.10000E+01 volume -0.50000E-01 ppm1      8.681 ppm2      7.795
 ASSI {  791}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HN  "))
      5.000     3.100     0.500 peak   791 weight  0.10000E+01 volume -0.51300E+00 ppm1      8.855 ppm2      7.917
 ASSI {  792}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HN  "))
      5.000     3.100     0.500 peak   792 weight  0.10000E+01 volume -0.64000E-01 ppm1      8.959 ppm2      7.928
 ASSI {  794}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HN  "))
      5.500     3.800     0.000 peak   794 weight  0.10000E+01 volume  0.20080E+00 ppm1      8.898 ppm2      8.476
 ASSI {  795}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      5.500     3.800     0.000 peak   795 weight  0.10000E+01 volume  0.40260E+00 ppm1      8.968 ppm2      8.700
 ASSI {  796}
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      5.500     3.800     0.000 peak   796 weight  0.10000E+01 volume  0.18600E-01 ppm1      8.897 ppm2      8.699
 ASSI {  797}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HN  "))
      5.000     3.100     0.500 peak   797 weight  0.10000E+01 volume -0.19200E+00 ppm1      9.395 ppm2      7.269
 ASSI {  798}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HD22"))
      5.000     3.100     0.500 peak   798 weight  0.10000E+01 volume -0.35000E-01 ppm1      8.957 ppm2      6.956
 ASSI {  799}
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      5.000     3.100     0.500 peak   799 weight  0.10000E+01 volume -0.29500E+00 ppm1      9.123 ppm2      7.289
 ASSI {  800}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HN  "))
      5.000     3.100     0.500 peak   800 weight  0.10000E+01 volume -0.63000E+00 ppm1      8.854 ppm2      7.242
 ASSI {  801}
   (( segid "    " and resid "34  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HN  "))
      5.000     3.100     0.500 peak   801 weight  0.10000E+01 volume -0.35000E+00 ppm1      8.814 ppm2      7.249
 ASSI {  802}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HN  "))
      4.800     2.900     0.700 peak   802 weight  0.10000E+01 volume  0.12347E+01 ppm1      8.701 ppm2      8.487
 ASSI {  805}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HN  "))
      5.500     3.800     0.000 peak   805 weight  0.10000E+01 volume  0.18850E+00 ppm1      8.663 ppm2      8.160
 ASSI {  808}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HN  "))
      5.300     3.500     0.200 peak   808 weight  0.10000E+01 volume  0.65780E+00 ppm1      8.563 ppm2      7.767
 ASSI {  809}
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HN  "))
      5.500     3.800     0.000 peak   809 weight  0.10000E+01 volume  0.38330E+00 ppm1      8.499 ppm2      7.795
 ASSI {  814}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HN  "))
      5.000     3.100     0.500 peak   814 weight  0.10000E+01 volume -0.26700E+00 ppm1      8.552 ppm2      8.093
 ASSI {  815}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      5.000     3.100     0.500 peak   815 weight  0.10000E+01 volume -0.70100E+00 ppm1      8.662 ppm2      7.471
 ASSI {  816}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      5.000     3.100     0.500 peak   816 weight  0.10000E+01 volume -0.16100E+00 ppm1      8.484 ppm2      7.472
 ASSI {  817}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      5.000     3.100     0.500 peak   817 weight  0.10000E+01 volume -0.50100E+00 ppm1      8.309 ppm2      7.297
 ASSI {  818}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      5.000     3.100     0.500 peak   818 weight  0.10000E+01 volume -0.58900E+00 ppm1      8.298 ppm2      7.519
 ASSI {  819}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HN  "))
      5.500     3.800     0.000 peak   819 weight  0.10000E+01 volume  0.43290E+00 ppm1      8.298 ppm2      7.796
 ASSI {  820}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HN  "))
      5.000     3.100     0.500 peak   820 weight  0.10000E+01 volume -0.73000E-01 ppm1      8.299 ppm2      7.749
 ASSI {  821}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HN  "))
      5.400     3.600     0.100 peak   821 weight  0.10000E+01 volume  0.62970E+00 ppm1      8.309 ppm2      8.053
 ASSI {  822}
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HN  "))
      5.500     3.800     0.000 peak   822 weight  0.10000E+01 volume  0.81000E-02 ppm1      8.256 ppm2      7.918
 ASSI {  824}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HN  "))
      5.500     3.800     0.000 peak   824 weight  0.10000E+01 volume  0.48900E+00 ppm1      8.087 ppm2      7.945
 ASSI {  825}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HN  "))
      5.500     3.800     0.000 peak   825 weight  0.10000E+01 volume  0.14980E+00 ppm1      8.213 ppm2      8.068
 ASSI {  826}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HN  "))
      5.000     3.100     0.500 peak   826 weight  0.10000E+01 volume -0.10000E-01 ppm1      8.059 ppm2      7.800
 ASSI {  827}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HN  "))
      5.000     3.100     0.500 peak   827 weight  0.10000E+01 volume -0.15000E-01 ppm1      8.086 ppm2      7.799
 ASSI {  828}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HN  "))
      5.500     3.800     0.000 peak   828 weight  0.10000E+01 volume  0.11000E+00 ppm1      8.056 ppm2      7.750
 ASSI {  830}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      5.000     3.100     0.500 peak   830 weight  0.10000E+01 volume -0.72200E+00 ppm1      8.061 ppm2      7.510
 ASSI {  832}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HN  "))
      5.500     3.800     0.000 peak   832 weight  0.10000E+01 volume  0.34150E+00 ppm1      8.225 ppm2      7.760
 ASSI {  835}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      5.500     3.800     0.000 peak   835 weight  0.10000E+01 volume  0.78000E-01 ppm1      7.950 ppm2      7.518
 ASSI {  837}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      5.000     3.100     0.500 peak   837 weight  0.10000E+01 volume -0.22000E-01 ppm1      8.216 ppm2      7.297
 ASSI {  838}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HN  "))
      5.000     3.100     0.500 peak   838 weight  0.10000E+01 volume -0.22000E-01 ppm1      8.155 ppm2      7.272
 ASSI {  840}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HN  "))
      5.000     3.100     0.500 peak   840 weight  0.10000E+01 volume -0.72000E-01 ppm1      8.093 ppm2      7.270
 ASSI {  841}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      5.500     3.800     0.000 peak   841 weight  0.10000E+01 volume  0.44810E+00 ppm1      8.055 ppm2      7.298
 ASSI {  844}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      5.500     3.800     0.000 peak   844 weight  0.10000E+01 volume  0.28170E+00 ppm1      7.827 ppm2      7.470
 ASSI {  845}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      5.000     3.100     0.500 peak   845 weight  0.10000E+01 volume -0.67000E-01 ppm1      7.801 ppm2      7.519
 ASSI {  851}
   (( segid "    " and resid "20  " and name "HD21"))
   (( segid "    " and resid "20  " and name "HD22"))
      4.700     4.700     0.000 peak   851 weight  0.10000E+01 volume  0.13927E+01 ppm1      7.554 ppm2      6.954
 ASSI {  854}
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HN  "))
      4.600     2.600     0.900 peak   854 weight  0.10000E+01 volume  0.16255E+01 ppm1      7.662 ppm2      7.284
 ASSI {  857}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "35  " and name "HZ  "))
      2.100     0.600     0.800 peak   857 weight  0.10000E+01 volume  0.16899E+03 ppm1      7.378 ppm2      7.299
 ASSI {  858}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
      1.900     0.500     0.700 peak   858 weight  0.10000E+01 volume  0.34385E+03 ppm1      7.377 ppm2      7.266
 ASSI {  864}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HN  "))
      5.500     3.800     0.000 peak   864 weight  0.10000E+01 volume  0.16500E+00 ppm1     10.472 ppm2      8.045
 ASSI {  865}
   (( segid "    " and resid "25  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HA  "))
      5.500     3.800     0.000 peak   865 weight  0.10000E+01 volume  0.44990E+00 ppm1      9.394 ppm2      5.131
 ASSI {  866}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HA  "))
      5.000     3.100     0.500 peak   866 weight  0.10000E+01 volume -0.21400E+00 ppm1      9.300 ppm2      5.799
 ASSI {  867}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HA  "))
      5.500     3.800     0.000 peak   867 weight  0.10000E+01 volume  0.14200E-01 ppm1      9.208 ppm2      5.798
 ASSI {  874}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HA  "))
      2.000     0.500     0.700 peak   874 weight  0.10000E+01 volume  0.21003E+03 ppm1      5.402 ppm2      5.025
 ASSI {  876}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      2.100     0.600     0.800 peak   876 weight  0.10000E+01 volume  0.17391E+03 ppm1      5.402 ppm2      0.762
 OR {  876}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI {  877}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "24  " and name "HA  "))
      2.400     0.700     0.900 peak   877 weight  0.10000E+01 volume  0.78990E+02 ppm1      0.765 ppm2      4.421
 OR {  877}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "24  " and name "HA  "))
 ASSI {  878}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "19  " and name "HA  "))
      1.900     0.500     0.700 peak   878 weight  0.10000E+01 volume  0.27834E+03 ppm1      0.764 ppm2      4.241
 ASSI {  881}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "54  " and name "HA  "))
      5.100     3.300     0.400 peak   881 weight  0.10000E+01 volume  0.84040E+00 ppm1      5.803 ppm2      5.021
 ASSI {  882}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HA  "))
      3.300     1.400     1.600 peak   882 weight  0.10000E+01 volume  0.11616E+02 ppm1      5.806 ppm2      4.639
 ASSI {  883}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HA  "))
      2.100     0.600     0.800 peak   883 weight  0.10000E+01 volume  0.15223E+03 ppm1      5.802 ppm2      4.579
 ASSI {  884}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "54  " and name "HG  "))
      3.300     1.400     1.600 peak   884 weight  0.10000E+01 volume  0.11015E+02 ppm1      5.801 ppm2      1.647
 ASSI {  887}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "40  " and name "HN  "))
      4.300     2.300     1.200 peak   887 weight  0.10000E+01 volume  0.24910E+01 ppm1      0.829 ppm2      8.412
 ASSI {  888}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "39  " and name "HN  "))
      4.600     2.600     0.900 peak   888 weight  0.10000E+01 volume  0.16204E+01 ppm1      0.826 ppm2      8.254
 ASSI {  890}
   (( segid "    " and resid "7   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      5.000     3.100     0.500 peak   890 weight  0.10000E+01 volume -0.34400E+00 ppm1      8.060 ppm2      0.957
 ASSI {  897}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HA  "))
      4.600     2.600     0.900 peak   897 weight  0.10000E+01 volume  0.16089E+01 ppm1      8.550 ppm2      4.925
 ASSI {  899}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "35  " and name "HN  "))
      5.000     3.100     0.500 peak   899 weight  0.10000E+01 volume -0.98100E+00 ppm1      7.270 ppm2      7.717
 ASSI {  901}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HN  "))
      5.000     3.100     0.500 peak   901 weight  0.10000E+01 volume -0.10830E+01 ppm1      7.246 ppm2      7.716
 ASSI {  910}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      4.100     2.100     1.400 peak   910 weight  0.10000E+01 volume  0.31608E+01 ppm1      5.399 ppm2      0.837
 OR {  910}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
 ASSI {  917}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "26  " and name "HN  "))
      5.000     3.100     0.500 peak   917 weight  0.10000E+01 volume -0.18200E+00 ppm1      3.138 ppm2      7.768
 ASSI {  920}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "26  " and name "HB1 "))
      2.700     0.900     1.100 peak   920 weight  0.10000E+01 volume  0.38249E+02 ppm1      3.138 ppm2      1.790
 ASSI {  921}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "24  " and name "HB1 "))
      3.600     1.600     1.800 peak   921 weight  0.10000E+01 volume  0.73954E+01 ppm1      3.137 ppm2      1.685
 OR {  921}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "24  " and name "HB2 "))
 ASSI {  925}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "27  " and name "HG  "))
      3.100     1.200     1.400 peak   925 weight  0.10000E+01 volume  0.15491E+02 ppm1      3.137 ppm2      1.309
 ASSI {  928}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      5.400     3.600     0.100 peak   928 weight  0.10000E+01 volume  0.62750E+00 ppm1      3.135 ppm2      0.838
 OR {  928}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
 ASSI {  931}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "43  " and name "HA  "))
      1.900     0.500     0.700 peak   931 weight  0.10000E+01 volume  0.32756E+03 ppm1      0.765 ppm2      5.020
 ASSI {  932}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "41  " and name "HA  "))
      2.400     2.400     2.100 peak   932 weight  0.10000E+01 volume  0.73480E+02 ppm1      0.765 ppm2      4.848
 OR {  932}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "41  " and name "HA  "))
 ASSI {  934}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "64  " and name "HG  "))
      1.900     0.500     0.700 peak   934 weight  0.10000E+01 volume  0.28967E+03 ppm1      0.765 ppm2      1.591
 ASSI {  939}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HN  "))
      5.000     3.100     0.500 peak   939 weight  0.10000E+01 volume -0.69400E+00 ppm1      2.031 ppm2      9.201
 ASSI {  945}
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      5.500     3.800     0.000 peak   945 weight  0.10000E+01 volume  0.91500E-01 ppm1      8.452 ppm2      3.140
 ASSI {  946}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
      1.800     0.400     0.600 peak   946 weight  0.10000E+01 volume  0.41112E+03 ppm1      1.752 ppm2      0.735
 ASSI {  948}
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
   (( segid "    " and resid "30  " and name "HN  "))
      4.700     2.800     0.800 peak   948 weight  0.10000E+01 volume  0.13009E+01 ppm1      0.738 ppm2      9.637
 ASSI {  954}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HD2 "))
      5.000     3.100     0.500 peak   954 weight  0.10000E+01 volume -0.26500E+00 ppm1      7.242 ppm2      3.657
 ASSI {  955}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HD1 "))
      5.000     3.100     0.500 peak   955 weight  0.10000E+01 volume -0.81000E-01 ppm1      7.244 ppm2      3.699
 ASSI {  957}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HA  "))
      5.000     3.100     0.500 peak   957 weight  0.10000E+01 volume -0.18900E+00 ppm1      7.248 ppm2      3.977
 ASSI {  959}
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HA  "))
      5.500     3.800     0.000 peak   959 weight  0.10000E+01 volume  0.26370E+00 ppm1      8.855 ppm2      5.134
 ASSI {  968}
   (( segid "    " and resid "37  " and name "HD1 "))
   (( segid "    " and resid "36  " and name "HA  "))
      2.200     0.600     0.800 peak   968 weight  0.10000E+01 volume  0.13068E+03 ppm1      3.704 ppm2      5.134
 ASSI {  969}
   (( segid "    " and resid "37  " and name "HD1 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      2.900     1.100     1.300 peak   969 weight  0.10000E+01 volume  0.24446E+02 ppm1      3.706 ppm2      0.952
 ASSI {  970}
   (( segid "    " and resid "37  " and name "HD2 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      3.400     1.400     1.600 peak   970 weight  0.10000E+01 volume  0.10182E+02 ppm1      3.661 ppm2      0.953
 ASSI {  978}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HN  "))
      5.000     3.100     0.500 peak   978 weight  0.10000E+01 volume -0.52000E-01 ppm1      8.415 ppm2      9.303
 ASSI {  979}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HN  "))
      5.100     3.300     0.400 peak   979 weight  0.10000E+01 volume  0.88590E+00 ppm1      8.418 ppm2      9.638
 ASSI {  984}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
      5.000     3.100     0.500 peak   984 weight  0.10000E+01 volume -0.12300E+00 ppm1      9.499 ppm2      5.398
 ASSI {  986}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HA  "))
      5.500     3.800     0.000 peak   986 weight  0.10000E+01 volume  0.57100E-01 ppm1      9.279 ppm2      4.021
 ASSI {  988}
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      5.000     3.100     0.500 peak   988 weight  0.10000E+01 volume -0.25000E-01 ppm1      9.274 ppm2      1.292
 ASSI {  993}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HN  "))
      5.000     3.100     0.500 peak   993 weight  0.10000E+01 volume -0.18500E+00 ppm1      7.827 ppm2      8.662
 ASSI {  994}
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HN  "))
      5.000     3.100     0.500 peak   994 weight  0.10000E+01 volume -0.11300E+00 ppm1      7.829 ppm2      8.159
 ASSI { 1002}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HN  "))
      5.000     3.100     0.500 peak  1002 weight  0.10000E+01 volume -0.54900E+00 ppm1      9.072 ppm2      9.496
 ASSI { 1008}
   (( segid "    " and resid "58  " and name "HB1 "))
   (( segid "    " and resid "58  " and name "HN  "))
      4.100     2.100     1.400 peak  1008 weight  0.10000E+01 volume  0.30691E+01 ppm1      4.142 ppm2      7.285
 ASSI { 1022}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HB2 "))
      3.000     1.100     1.300 peak  1022 weight  0.10000E+01 volume  0.21626E+02 ppm1      5.811 ppm2      4.200
 ASSI { 1023}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "44  " and name "HA  "))
      2.100     0.600     0.800 peak  1023 weight  0.10000E+01 volume  0.18668E+03 ppm1      5.347 ppm2      4.809
 ASSI { 1027}
   (( segid "    " and resid "58  " and name "HB1 "))
   (( segid "    " and resid "58  " and name "HA  "))
      2.100     0.600     0.800 peak  1027 weight  0.10000E+01 volume  0.17181E+03 ppm1      4.139 ppm2      4.497
 ASSI { 1032}
   (( segid "    " and resid "31  " and name "HD1 "))
   (( segid "    " and resid "30  " and name "HA  "))
      2.900     1.100     1.300 peak  1032 weight  0.10000E+01 volume  0.24804E+02 ppm1      4.048 ppm2      4.684
 ASSI { 1033}
   (( segid "    " and resid "21  " and name "HD2 "))
   (( segid "    " and resid "20  " and name "HA  "))
      1.900     0.500     0.700 peak  1033 weight  0.10000E+01 volume  0.27749E+03 ppm1      4.010 ppm2      4.925
 ASSI { 1034}
   (( segid "    " and resid "15  " and name "HB2 "))
   (( segid "    " and resid "15  " and name "HA  "))
      2.400     0.700     0.900 peak  1034 weight  0.10000E+01 volume  0.86606E+02 ppm1      3.999 ppm2      4.635
 ASSI { 1035}
   (( segid "    " and resid "23  " and name "HB1 "))
   (( segid "    " and resid "23  " and name "HA  "))
      2.400     0.700     0.900 peak  1035 weight  0.10000E+01 volume  0.70838E+02 ppm1      4.001 ppm2      4.533
 OR { 1035}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HA  "))
 ASSI { 1037}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "69  " and name "HA  "))
      2.200     0.600     0.800 peak  1037 weight  0.10000E+01 volume  0.13633E+03 ppm1      4.009 ppm2      4.342
 OR { 1037}
   (( segid "    " and resid "69  " and name "HB1 "))
   (( segid "    " and resid "69  " and name "HA  "))
 ASSI { 1039}
   (( segid "    " and resid "58  " and name "HB2 "))
   (( segid "    " and resid "58  " and name "HB1 "))
      1.700     0.400     0.600 peak  1039 weight  0.10000E+01 volume  0.60328E+03 ppm1      4.034 ppm2      4.138
 ASSI { 1042}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HA  "))
      2.000     2.000     2.500 peak  1042 weight  0.10000E+01 volume  0.25926E+03 ppm1      3.896 ppm2      4.925
 ASSI { 1044}
   (( segid "    " and resid "49  " and name "HA2 "))
   (( segid "    " and resid "50  " and name "HA  "))
      1.700     1.700     2.800 peak  1044 weight  0.10000E+01 volume  0.54710E+03 ppm1      3.917 ppm2      4.169
 OR { 1044}
   (( segid "    " and resid "49  " and name "HA1 "))
   (( segid "    " and resid "50  " and name "HA  "))
 ASSI { 1046}
   (( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "13  " and name "HA  "))
      2.100     0.600     0.800 peak  1046 weight  0.10000E+01 volume  0.16609E+03 ppm1      3.803 ppm2      4.617
 OR { 1046}
   (( segid "    " and resid "13  " and name "HB2 "))
   (( segid "    " and resid "13  " and name "HA  "))
 ASSI { 1048}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "15  " and name "HA  "))
      2.300     0.700     0.900 peak  1048 weight  0.10000E+01 volume  0.95530E+02 ppm1      3.840 ppm2      4.627
 ASSI { 1052}
   (( segid "    " and resid "53  " and name "HB1 "))
   (( segid "    " and resid "53  " and name "HB2 "))
      2.200     0.600     0.800 peak  1052 weight  0.10000E+01 volume  0.13671E+03 ppm1      3.281 ppm2      4.199
 ASSI { 1054}
   (( segid "    " and resid "11  " and name "HB1 "))
   (( segid "    " and resid "11  " and name "HA  "))
      3.100     1.200     1.400 peak  1054 weight  0.10000E+01 volume  0.17185E+02 ppm1      3.276 ppm2      4.568
 ASSI { 1055}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "35  " and name "HA  "))
      2.800     1.000     1.200 peak  1055 weight  0.10000E+01 volume  0.32599E+02 ppm1      3.289 ppm2      4.670
 ASSI { 1058}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HA  "))
      2.600     0.800     1.000 peak  1058 weight  0.10000E+01 volume  0.43612E+02 ppm1      3.310 ppm2      5.135
 ASSI { 1059}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HA  "))
      3.100     1.200     1.400 peak  1059 weight  0.10000E+01 volume  0.16500E+02 ppm1      3.292 ppm2      5.131
 ASSI { 1078}
   (( segid "    " and resid "36  " and name "HB1 "))
   (( segid "    " and resid "9   " and name "HA  "))
      4.100     2.100     1.400 peak  1078 weight  0.10000E+01 volume  0.31376E+01 ppm1      2.886 ppm2      4.707
 ASSI { 1083}
   (( segid "    " and resid "20  " and name "HB1 "))
   (( segid "    " and resid "20  " and name "HA  "))
      2.400     0.700     0.900 peak  1083 weight  0.10000E+01 volume  0.75041E+02 ppm1      2.917 ppm2      4.923
 ASSI { 1084}
   (( segid "    " and resid "36  " and name "HB1 "))
   (( segid "    " and resid "36  " and name "HA  "))
      2.500     0.800     1.000 peak  1084 weight  0.10000E+01 volume  0.67651E+02 ppm1      2.885 ppm2      5.134
 ASSI { 1087}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HA  "))
      3.500     1.500     1.700 peak  1087 weight  0.10000E+01 volume  0.85237E+01 ppm1      2.820 ppm2      4.246
 ASSI { 1088}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HA  "))
      3.300     1.400     1.600 peak  1088 weight  0.10000E+01 volume  0.12560E+02 ppm1      2.814 ppm2      4.210
 ASSI { 1092}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HA  "))
      2.300     0.700     0.900 peak  1092 weight  0.10000E+01 volume  0.99273E+02 ppm1      2.819 ppm2      4.925
 ASSI { 1095}
   (( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "16  " and name "HA  "))
      2.600     0.800     1.000 peak  1095 weight  0.10000E+01 volume  0.45713E+02 ppm1      2.790 ppm2      4.965
 ASSI { 1100}
   (( segid "    " and resid "11  " and name "HB2 "))
   (( segid "    " and resid "11  " and name "HA  "))
      2.500     0.800     1.000 peak  1100 weight  0.10000E+01 volume  0.54747E+02 ppm1      2.768 ppm2      4.568
 ASSI { 1108}
   (( segid "    " and resid "35  " and name "HB1 "))
   (( segid "    " and resid "35  " and name "HA  "))
      2.800     1.000     1.200 peak  1108 weight  0.10000E+01 volume  0.32557E+02 ppm1      2.723 ppm2      4.670
 ASSI { 1121}
   (( segid "    " and resid "40  " and name "HG2 "))
   (( segid "    " and resid "9   " and name "HA  "))
      4.000     2.000     1.500 peak  1121 weight  0.10000E+01 volume  0.35015E+01 ppm1      2.558 ppm2      4.728
 OR { 1121}
   (( segid "    " and resid "40  " and name "HG1 "))
   (( segid "    " and resid "9   " and name "HA  "))
 ASSI { 1123}
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "44  " and name "HA  "))
      3.600     1.600     1.800 peak  1123 weight  0.10000E+01 volume  0.72486E+01 ppm1      2.499 ppm2      4.811
 ASSI { 1124}
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.500     0.800     1.000 peak  1124 weight  0.10000E+01 volume  0.54486E+02 ppm1      2.499 ppm2      4.921
 OR { 1124}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "45  " and name "HA  "))
 ASSI { 1125}
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "51  " and name "HA  "))
      3.300     1.400     1.600 peak  1125 weight  0.10000E+01 volume  0.10923E+02 ppm1      2.500 ppm2      5.342
 ASSI { 1127}
   (( segid "    " and resid "17  " and name "HG1 "))
   (( segid "    " and resid "17  " and name "HA  "))
      2.600     0.800     1.000 peak  1127 weight  0.10000E+01 volume  0.47329E+02 ppm1      2.428 ppm2      4.583
 OR { 1127}
   (( segid "    " and resid "17  " and name "HG2 "))
   (( segid "    " and resid "17  " and name "HA  "))
 ASSI { 1128}
   (( segid "    " and resid "45  " and name "HB1 "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.000     0.500     0.700 peak  1128 weight  0.10000E+01 volume  0.20465E+03 ppm1      2.402 ppm2      4.921
 ASSI { 1130}
   (( segid "    " and resid "61  " and name "HB  "))
   (( segid "    " and resid "58  " and name "HB1 "))
      3.600     1.600     1.800 peak  1130 weight  0.10000E+01 volume  0.63591E+01 ppm1      2.404 ppm2      4.138
 ASSI { 1131}
   (( segid "    " and resid "61  " and name "HB  "))
   (( segid "    " and resid "56  " and name "HA  "))
      3.600     1.600     1.800 peak  1131 weight  0.10000E+01 volume  0.64153E+01 ppm1      2.411 ppm2      4.175
 ASSI { 1134}
   (( segid "    " and resid "57  " and name "HG1 "))
   (( segid "    " and resid "57  " and name "HA  "))
      3.200     1.300     1.500 peak  1134 weight  0.10000E+01 volume  0.14491E+02 ppm1      2.360 ppm2      4.272
 ASSI { 1136}
   (( segid "    " and resid "28  " and name "HG1 "))
   (( segid "    " and resid "28  " and name "HA  "))
      4.200     2.200     1.300 peak  1136 weight  0.10000E+01 volume  0.28137E+01 ppm1      2.261 ppm2      4.460
 ASSI { 1138}
   (( segid "    " and resid "57  " and name "HB1 "))
   (( segid "    " and resid "57  " and name "HA  "))
      2.200     0.600     0.800 peak  1138 weight  0.10000E+01 volume  0.12582E+03 ppm1      2.236 ppm2      4.284
 ASSI { 1139}
   (( segid "    " and resid "18  " and name "HB1 "))
   (( segid "    " and resid "18  " and name "HA  "))
      2.000     0.500     0.700 peak  1139 weight  0.10000E+01 volume  0.21976E+03 ppm1      2.198 ppm2      4.321
 ASSI { 1143}
   (( segid "    " and resid "37  " and name "HB1 "))
   (( segid "    " and resid "37  " and name "HA  "))
      2.000     0.500     0.700 peak  1143 weight  0.10000E+01 volume  0.22830E+03 ppm1      2.126 ppm2      4.863
 OR { 1143}
   (( segid "    " and resid "37  " and name "HB2 "))
   (( segid "    " and resid "37  " and name "HA  "))
 ASSI { 1144}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HA  "))
      2.800     1.000     1.200 peak  1144 weight  0.10000E+01 volume  0.28609E+02 ppm1      2.134 ppm2      4.682
 ASSI { 1145}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HA  "))
      1.900     1.900     2.600 peak  1145 weight  0.10000E+01 volume  0.29523E+03 ppm1      2.128 ppm2      4.423
 ASSI { 1147}
   (( segid "    " and resid "56  " and name "HB2 "))
   (( segid "    " and resid "56  " and name "HA  "))
      2.100     0.600     0.800 peak  1147 weight  0.10000E+01 volume  0.19558E+03 ppm1      2.130 ppm2      4.175
 OR { 1147}
   (( segid "    " and resid "56  " and name "HB1 "))
   (( segid "    " and resid "56  " and name "HA  "))
 ASSI { 1148}
   (( segid "    " and resid "56  " and name "HG1 "))
   (( segid "    " and resid "56  " and name "HA  "))
      2.700     0.900     1.100 peak  1148 weight  0.10000E+01 volume  0.36220E+02 ppm1      2.080 ppm2      4.175
 ASSI { 1149}
   (( segid "    " and resid "7   " and name "HB  "))
   (( segid "    " and resid "36  " and name "HA  "))
      2.900     1.100     1.300 peak  1149 weight  0.10000E+01 volume  0.27451E+02 ppm1      2.074 ppm2      5.135
 ASSI { 1151}
   (( segid "    " and resid "40  " and name "HB1 "))
   (( segid "    " and resid "40  " and name "HA  "))
      2.600     0.800     1.000 peak  1151 weight  0.10000E+01 volume  0.45159E+02 ppm1      2.058 ppm2      4.777
 ASSI { 1155}
   (( segid "    " and resid "8   " and name "HB1 "))
   (( segid "    " and resid "8   " and name "HA  "))
      2.500     0.800     1.000 peak  1155 weight  0.10000E+01 volume  0.57660E+02 ppm1      1.998 ppm2      4.676
 OR { 1155}
   (( segid "    " and resid "8   " and name "HB2 "))
   (( segid "    " and resid "8   " and name "HA  "))
 ASSI { 1156}
   (( segid "    " and resid "18  " and name "HG1 "))
   (( segid "    " and resid "17  " and name "HA  "))
      3.300     1.400     1.600 peak  1156 weight  0.10000E+01 volume  0.12046E+02 ppm1      1.991 ppm2      4.580
 ASSI { 1157}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "28  " and name "HA  "))
      2.000     0.500     0.700 peak  1157 weight  0.10000E+01 volume  0.21494E+03 ppm1      2.025 ppm2      4.462
 ASSI { 1159}
   (( segid "    " and resid "64  " and name "HB1 "))
   (( segid "    " and resid "64  " and name "HA  "))
      2.300     0.700     0.900 peak  1159 weight  0.10000E+01 volume  0.96669E+02 ppm1      2.054 ppm2      4.223
 OR { 1159}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HA  "))
 ASSI { 1160}
   (( segid "    " and resid "56  " and name "HG2 "))
   (( segid "    " and resid "56  " and name "HA  "))
      2.100     0.600     0.800 peak  1160 weight  0.10000E+01 volume  0.15403E+03 ppm1      2.005 ppm2      4.176
 ASSI { 1163}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "18  " and name "HA  "))
      2.700     0.900     1.100 peak  1163 weight  0.10000E+01 volume  0.37154E+02 ppm1      2.055 ppm2      4.322
 ASSI { 1165}
   (( segid "    " and resid "27  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HA  "))
      2.700     0.900     1.100 peak  1165 weight  0.10000E+01 volume  0.36058E+02 ppm1      1.893 ppm2      5.399
 ASSI { 1166}
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "26  " and name "HA  "))
      2.300     0.700     0.900 peak  1166 weight  0.10000E+01 volume  0.88720E+02 ppm1      1.893 ppm2      5.128
 ASSI { 1168}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "41  " and name "HA  "))
      2.500     0.800     1.000 peak  1168 weight  0.10000E+01 volume  0.54406E+02 ppm1      1.894 ppm2      4.848
 ASSI { 1170}
   (( segid "    " and resid "39  " and name "HB  "))
   (( segid "    " and resid "38  " and name "HA  "))
      5.000     3.100     0.500 peak  1170 weight  0.10000E+01 volume -0.43830E+01 ppm1      1.884 ppm2      4.729
 ASSI { 1173}
   (( segid "    " and resid "50  " and name "HB1 "))
   (( segid "    " and resid "50  " and name "HA  "))
      2.000     0.500     0.700 peak  1173 weight  0.10000E+01 volume  0.26598E+03 ppm1      1.917 ppm2      4.177
 OR { 1173}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "50  " and name "HA  "))
 ASSI { 1175}
   (( segid "    " and resid "19  " and name "HB  "))
   (( segid "    " and resid "19  " and name "HA  "))
      1.800     1.800     2.700 peak  1175 weight  0.10000E+01 volume  0.41209E+03 ppm1      1.869 ppm2      4.245
 ASSI { 1176}
   (( segid "    " and resid "18  " and name "HG2 "))
   (( segid "    " and resid "18  " and name "HA  "))
      2.700     0.900     1.100 peak  1176 weight  0.10000E+01 volume  0.39084E+02 ppm1      1.898 ppm2      4.322
 ASSI { 1183}
   (( segid "    " and resid "37  " and name "HG1 "))
   (( segid "    " and resid "37  " and name "HA  "))
      3.000     1.100     1.300 peak  1183 weight  0.10000E+01 volume  0.21178E+02 ppm1      1.822 ppm2      4.859
 OR { 1183}
   (( segid "    " and resid "37  " and name "HG2 "))
   (( segid "    " and resid "37  " and name "HA  "))
 ASSI { 1185}
   (( segid "    " and resid "42  " and name "HB  "))
   (( segid "    " and resid "42  " and name "HA  "))
      2.400     0.700     0.900 peak  1185 weight  0.10000E+01 volume  0.77789E+02 ppm1      1.825 ppm2      4.579
 ASSI { 1187}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "47  " and name "HA  "))
      1.900     0.500     0.700 peak  1187 weight  0.10000E+01 volume  0.31503E+03 ppm1      1.768 ppm2      4.224
 ASSI { 1188}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HA  "))
      2.200     0.600     0.800 peak  1188 weight  0.10000E+01 volume  0.13206E+03 ppm1      1.829 ppm2      4.283
 ASSI { 1190}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "23  " and name "HA  "))
      3.700     1.700     1.800 peak  1190 weight  0.10000E+01 volume  0.62161E+01 ppm1      1.764 ppm2      4.537
 ASSI { 1198}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HA  "))
      1.700     0.400     0.600 peak  1198 weight  0.10000E+01 volume  0.58775E+03 ppm1      1.687 ppm2      4.431
 OR { 1198}
   (( segid "    " and resid "24  " and name "HB1 "))
   (( segid "    " and resid "24  " and name "HA  "))
 ASSI { 1201}
   (( segid "    " and resid "54  " and name "HG  "))
   (( segid "    " and resid "54  " and name "HA  "))
      2.900     1.100     1.300 peak  1201 weight  0.10000E+01 volume  0.26295E+02 ppm1      1.656 ppm2      5.005
 ASSI { 1205}
   (( segid "    " and resid "8   " and name "HG1 "))
   (( segid "    " and resid "8   " and name "HA  "))
      2.400     2.400     2.100 peak  1205 weight  0.10000E+01 volume  0.69660E+02 ppm1      1.566 ppm2      4.674
 ASSI { 1208}
   (( segid "    " and resid "52  " and name "HB1 "))
   (( segid "    " and resid "51  " and name "HA  "))
      3.200     1.300     1.500 peak  1208 weight  0.10000E+01 volume  0.14564E+02 ppm1      1.620 ppm2      5.344
 ASSI { 1226}
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.300     1.400     1.600 peak  1226 weight  0.10000E+01 volume  0.11937E+02 ppm1      1.563 ppm2      4.117
 ASSI { 1232}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "24  " and name "HA  "))
      2.200     0.600     0.800 peak  1232 weight  0.10000E+01 volume  0.13200E+03 ppm1      1.399 ppm2      4.420
 OR { 1232}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "24  " and name "HA  "))
 ASSI { 1233}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "64  " and name "HA  "))
      2.900     1.100     1.300 peak  1233 weight  0.10000E+01 volume  0.26494E+02 ppm1      1.396 ppm2      4.230
 OR { 1233}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HA  "))
 ASSI { 1234}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HA  "))
      2.800     1.000     1.200 peak  1234 weight  0.10000E+01 volume  0.27716E+02 ppm1      1.294 ppm2      5.398
 ASSI { 1236}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "51  " and name "HA  "))
      3.800     1.800     1.700 peak  1236 weight  0.10000E+01 volume  0.45589E+01 ppm1      1.295 ppm2      5.345
 ASSI { 1237}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "43  " and name "HA  "))
      2.100     0.600     0.800 peak  1237 weight  0.10000E+01 volume  0.16200E+03 ppm1      1.292 ppm2      5.025
 ASSI { 1238}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HA  "))
      3.400     1.400     1.600 peak  1238 weight  0.10000E+01 volume  0.92162E+01 ppm1      1.291 ppm2      4.579
 ASSI { 1239}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HA  "))
      3.600     1.600     1.800 peak  1239 weight  0.10000E+01 volume  0.69619E+01 ppm1      1.292 ppm2      4.422
 ASSI { 1240}
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HA  "))
      2.200     0.600     0.800 peak  1240 weight  0.10000E+01 volume  0.14859E+03 ppm1      1.231 ppm2      5.399
 ASSI { 1241}
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "43  " and name "HA  "))
      3.000     1.100     1.300 peak  1241 weight  0.10000E+01 volume  0.19817E+02 ppm1      1.239 ppm2      5.024
 ASSI { 1244}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HA  "))
      5.500     3.800     0.000 peak  1244 weight  0.10000E+01 volume  0.82000E-02 ppm1      7.275 ppm2      4.229
 ASSI { 1246}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "10  " and name "HB  "))
      2.000     0.500     0.700 peak  1246 weight  0.10000E+01 volume  0.22306E+03 ppm1      4.248 ppm2      4.145
 ASSI { 1251}
   (( segid "    " and resid "31  " and name "HD2 "))
   (( segid "    " and resid "31  " and name "HD1 "))
      1.800     0.400     0.600 peak  1251 weight  0.10000E+01 volume  0.41377E+03 ppm1      3.819 ppm2      4.043
 ASSI { 1254}
   (( segid "    " and resid "20  " and name "HB1 "))
   (( segid "    " and resid "21  " and name "HD2 "))
      2.800     1.000     1.200 peak  1254 weight  0.10000E+01 volume  0.31722E+02 ppm1      2.921 ppm2      3.997
 ASSI { 1255}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HD2 "))
      3.100     1.200     1.400 peak  1255 weight  0.10000E+01 volume  0.16179E+02 ppm1      2.820 ppm2      4.000
 ASSI { 1259}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "58  " and name "HB2 "))
      3.400     1.400     1.600 peak  1259 weight  0.10000E+01 volume  0.99256E+01 ppm1      2.685 ppm2      4.036
 ASSI { 1260}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "56  " and name "HD2 "))
      4.200     2.200     1.300 peak  1260 weight  0.10000E+01 volume  0.27194E+01 ppm1      2.682 ppm2      3.956
 OR { 1260}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "56  " and name "HD1 "))
 ASSI { 1263}
   (( segid "    " and resid "61  " and name "HB  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      2.300     0.700     0.900 peak  1263 weight  0.10000E+01 volume  0.93983E+02 ppm1      2.404 ppm2      4.034
 ASSI { 1267}
   (( segid "    " and resid "25  " and name "HG2 "))
   (( segid "    " and resid "46  " and name "HA  "))
      4.700     2.800     0.800 peak  1267 weight  0.10000E+01 volume  0.13221E+01 ppm1      2.192 ppm2      4.023
 OR { 1267}
   (( segid "    " and resid "25  " and name "HG1 "))
   (( segid "    " and resid "46  " and name "HA  "))
 ASSI { 1268}
   (( segid "    " and resid "25  " and name "HG1 "))
   (( segid "    " and resid "44  " and name "HB  "))
      5.000     3.100     0.500 peak  1268 weight  0.10000E+01 volume -0.14430E+01 ppm1      2.192 ppm2      3.948
 OR { 1268}
   (( segid "    " and resid "25  " and name "HG2 "))
   (( segid "    " and resid "44  " and name "HB  "))
 ASSI { 1271}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "50  " and name "HA  "))
      4.200     2.200     1.300 peak  1271 weight  0.10000E+01 volume  0.28948E+01 ppm1      2.172 ppm2      4.176
 ASSI { 1272}
   (( segid "    " and resid "56  " and name "HB1 "))
   (( segid "    " and resid "56  " and name "HD1 "))
      2.600     0.800     1.000 peak  1272 weight  0.10000E+01 volume  0.49645E+02 ppm1      2.127 ppm2      3.957
 OR { 1272}
   (( segid "    " and resid "56  " and name "HB2 "))
   (( segid "    " and resid "56  " and name "HD2 "))
 OR { 1272}
   (( segid "    " and resid "56  " and name "HB1 "))
   (( segid "    " and resid "56  " and name "HD2 "))
 OR { 1272}
   (( segid "    " and resid "56  " and name "HB2 "))
   (( segid "    " and resid "56  " and name "HD1 "))
 ASSI { 1273}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "21  " and name "HD2 "))
      2.500     0.800     1.000 peak  1273 weight  0.10000E+01 volume  0.56271E+02 ppm1      2.144 ppm2      4.008
 OR { 1273}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HD2 "))
 ASSI { 1276}
   (( segid "    " and resid "40  " and name "HB1 "))
   (( segid "    " and resid "31  " and name "HD1 "))
      3.000     1.100     1.300 peak  1276 weight  0.10000E+01 volume  0.21327E+02 ppm1      2.071 ppm2      4.043
 ASSI { 1279}
   (( segid "    " and resid "56  " and name "HG2 "))
   (( segid "    " and resid "56  " and name "HD2 "))
      2.600     0.800     1.000 peak  1279 weight  0.10000E+01 volume  0.52727E+02 ppm1      2.011 ppm2      3.955
 OR { 1279}
   (( segid "    " and resid "56  " and name "HG2 "))
   (( segid "    " and resid "56  " and name "HD1 "))
 ASSI { 1293}
   (( segid "    " and resid "14  " and name "HB  "))
   (( segid "    " and resid "14  " and name "HA  "))
      2.200     0.600     0.800 peak  1293 weight  0.10000E+01 volume  0.11566E+03 ppm1      1.719 ppm2      4.230
 ASSI { 1295}
   (( segid "    " and resid "61  " and name "HG11"))
   (( segid "    " and resid "56  " and name "HA  "))
      3.100     1.200     1.400 peak  1295 weight  0.10000E+01 volume  0.16080E+02 ppm1      1.635 ppm2      4.173
 ASSI { 1296}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "65  " and name "HA  "))
      2.100     2.100     2.400 peak  1296 weight  0.10000E+01 volume  0.18496E+03 ppm1      1.591 ppm2      3.907
 ASSI { 1297}
   (( segid "    " and resid "34  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HA  "))
      2.300     0.700     0.900 peak  1297 weight  0.10000E+01 volume  0.93980E+02 ppm1      1.621 ppm2      3.976
 ASSI { 1298}
   (( segid "    " and resid "61  " and name "HG11"))
   (( segid "    " and resid "58  " and name "HB2 "))
      2.200     0.600     0.800 peak  1298 weight  0.10000E+01 volume  0.11987E+03 ppm1      1.642 ppm2      4.026
 ASSI { 1300}
   (( segid "    " and resid "61  " and name "HG12"))
   (( segid "    " and resid "58  " and name "HB2 "))
      3.100     1.200     1.400 peak  1300 weight  0.10000E+01 volume  0.17366E+02 ppm1      1.517 ppm2      4.035
 ASSI { 1302}
   (( segid "    " and resid "48  " and name "HG1 "))
   (( segid "    " and resid "48  " and name "HA  "))
      2.100     0.600     0.800 peak  1302 weight  0.10000E+01 volume  0.16656E+03 ppm1      1.448 ppm2      4.056
 ASSI { 1307}
   (( segid "    " and resid "12  " and name "HG12"))
   (( segid "    " and resid "12  " and name "HA  "))
      3.100     1.200     1.400 peak  1307 weight  0.10000E+01 volume  0.17391E+02 ppm1      1.264 ppm2      4.104
 OR { 1307}
   (( segid "    " and resid "12  " and name "HG11"))
   (( segid "    " and resid "12  " and name "HA  "))
 ASSI { 1310}
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
   (( segid "    " and resid "44  " and name "HB  "))
      2.000     0.500     0.700 peak  1310 weight  0.10000E+01 volume  0.21371E+03 ppm1      1.157 ppm2      3.948
 ASSI { 1313}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "39  " and name "HA  "))
      2.400     0.700     0.900 peak  1313 weight  0.10000E+01 volume  0.76563E+02 ppm1      1.053 ppm2      4.222
 OR { 1313}
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
   (( segid "    " and resid "39  " and name "HA  "))
 ASSI { 1316}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "68  " and name "HA  "))
      2.500     0.800     1.000 peak  1316 weight  0.10000E+01 volume  0.56244E+02 ppm1      0.996 ppm2      4.117
 ASSI { 1321}
   (( segid "    " and resid "7   " and name "HG21")
     OR 
    ( segid "    " and resid "7   " and name "HG23")
     OR 
    ( segid "    " and resid "7   " and name "HG22"))
   (( segid "    " and resid "7   " and name "HA  "))
      2.300     0.700     0.900 peak  1321 weight  0.10000E+01 volume  0.93061E+02 ppm1      0.916 ppm2      4.265
 ASSI { 1323}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HA  "))
      2.200     0.600     0.800 peak  1323 weight  0.10000E+01 volume  0.12932E+03 ppm1      0.829 ppm2      4.222
 ASSI { 1328}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "56  " and name "HA  "))
      2.000     0.500     0.700 peak  1328 weight  0.10000E+01 volume  0.21203E+03 ppm1      0.762 ppm2      4.175
 ASSI { 1336}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "58  " and name "HB2 "))
      2.900     1.100     1.300 peak  1336 weight  0.10000E+01 volume  0.25574E+02 ppm1      0.701 ppm2      4.034
 ASSI { 1349}
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      3.300     1.400     1.600 peak  1349 weight  0.10000E+01 volume  0.11684E+02 ppm1      0.970 ppm2      3.136
 ASSI { 1352}
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      2.400     0.700     0.900 peak  1352 weight  0.10000E+01 volume  0.85737E+02 ppm1      1.231 ppm2      3.137
 ASSI { 1379}
   (( segid "    " and resid "27  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      2.200     0.600     0.800 peak  1379 weight  0.10000E+01 volume  0.14566E+03 ppm1      1.893 ppm2      3.137
 ASSI { 1387}
   (( segid "    " and resid "35  " and name "HB1 "))
   (( segid "    " and resid "35  " and name "HB2 "))
      1.800     0.400     0.600 peak  1387 weight  0.10000E+01 volume  0.41019E+03 ppm1      2.725 ppm2      3.278
 ASSI { 1390}
   (( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "16  " and name "HB2 "))
      1.700     0.400     0.600 peak  1390 weight  0.10000E+01 volume  0.54223E+03 ppm1      2.783 ppm2      3.011
 ASSI { 1393}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HB1 "))
      1.600     0.300     0.600 peak  1393 weight  0.10000E+01 volume  0.10178E+04 ppm1      2.818 ppm2      2.916
 ASSI { 1394}
   (( segid "    " and resid "11  " and name "HB2 "))
   (( segid "    " and resid "11  " and name "HB1 "))
      2.000     0.500     0.700 peak  1394 weight  0.10000E+01 volume  0.26324E+03 ppm1      2.768 ppm2      3.275
 ASSI { 1395}
   (( segid "    " and resid "36  " and name "HB1 "))
   (( segid "    " and resid "36  " and name "HB2 "))
      2.000     0.500     0.700 peak  1395 weight  0.10000E+01 volume  0.23711E+03 ppm1      2.871 ppm2      3.309
 ASSI { 1426}
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HB2 "))
      2.500     2.500     2.000 peak  1426 weight  0.10000E+01 volume  0.59029E+02 ppm1      4.254 ppm2      2.063
 ASSI { 1428}
   (( segid "    " and resid "68  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HB  "))
      2.200     0.600     0.800 peak  1428 weight  0.10000E+01 volume  0.12955E+03 ppm1      4.123 ppm2      2.241
 ASSI { 1438}
   (( segid "    " and resid "21  " and name "HD2 "))
   (( segid "    " and resid "21  " and name "HG2 "))
      2.200     0.600     0.800 peak  1438 weight  0.10000E+01 volume  0.13439E+03 ppm1      4.007 ppm2      1.931
 OR { 1438}
   (( segid "    " and resid "21  " and name "HD2 "))
   (( segid "    " and resid "21  " and name "HG1 "))
 ASSI { 1442}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HB2 "))
      1.800     0.400     0.600 peak  1442 weight  0.10000E+01 volume  0.45676E+03 ppm1      3.913 ppm2      1.908
 ASSI { 1443}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HB1 "))
      2.100     0.600     0.800 peak  1443 weight  0.10000E+01 volume  0.15751E+03 ppm1      3.897 ppm2      2.049
 OR { 1443}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HB2 "))
 ASSI { 1444}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HB1 "))
      2.200     2.200     2.300 peak  1444 weight  0.10000E+01 volume  0.11907E+03 ppm1      3.896 ppm2      2.137
 OR { 1444}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HB2 "))
 ASSI { 1448}
   (( segid "    " and resid "18  " and name "HD1 "))
   (( segid "    " and resid "18  " and name "HG1 "))
      2.300     0.700     0.900 peak  1448 weight  0.10000E+01 volume  0.10637E+03 ppm1      3.839 ppm2      1.991
 ASSI { 1449}
   (( segid "    " and resid "18  " and name "HD1 "))
   (( segid "    " and resid "17  " and name "HB2 "))
      1.900     0.500     0.700 peak  1449 weight  0.10000E+01 volume  0.27289E+03 ppm1      3.832 ppm2      2.059
 ASSI { 1450}
   (( segid "    " and resid "18  " and name "HD2 "))
   (( segid "    " and resid "18  " and name "HG1 "))
      2.400     0.700     0.900 peak  1450 weight  0.10000E+01 volume  0.79249E+02 ppm1      3.681 ppm2      1.992
 ASSI { 1464}
   (( segid "    " and resid "40  " and name "HG2 "))
   (( segid "    " and resid "40  " and name "HB1 "))
      2.100     0.600     0.800 peak  1464 weight  0.10000E+01 volume  0.18140E+03 ppm1      2.558 ppm2      2.053
 OR { 1464}
   (( segid "    " and resid "40  " and name "HG1 "))
   (( segid "    " and resid "40  " and name "HB1 "))
 ASSI { 1468}
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "45  " and name "HB2 "))
      2.100     0.600     0.800 peak  1468 weight  0.10000E+01 volume  0.18155E+03 ppm1      2.501 ppm2      2.162
 OR { 1468}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "45  " and name "HB2 "))
 ASSI { 1472}
   (( segid "    " and resid "45  " and name "HB1 "))
   (( segid "    " and resid "45  " and name "HG2 "))
      2.000     0.500     0.700 peak  1472 weight  0.10000E+01 volume  0.21579E+03 ppm1      2.404 ppm2      2.496
 ASSI { 1473}
   (( segid "    " and resid "57  " and name "HG1 "))
   (( segid "    " and resid "57  " and name "HB1 "))
      2.100     0.600     0.800 peak  1473 weight  0.10000E+01 volume  0.17130E+03 ppm1      2.351 ppm2      2.234
 ASSI { 1476}
   (( segid "    " and resid "45  " and name "HB1 "))
   (( segid "    " and resid "45  " and name "HB2 "))
      1.600     0.300     0.600 peak  1476 weight  0.10000E+01 volume  0.83882E+03 ppm1      2.403 ppm2      2.161
 ASSI { 1481}
   (( segid "    " and resid "28  " and name "HG1 "))
   (( segid "    " and resid "28  " and name "HB2 "))
      1.600     0.300     0.600 peak  1481 weight  0.10000E+01 volume  0.81267E+03 ppm1      2.250 ppm2      2.025
 ASSI { 1482}
   (( segid "    " and resid "28  " and name "HG1 "))
   (( segid "    " and resid "28  " and name "HG2 "))
      1.700     0.400     0.600 peak  1482 weight  0.10000E+01 volume  0.63584E+03 ppm1      2.245 ppm2      2.151
 ASSI { 1484}
   (( segid "    " and resid "18  " and name "HB1 "))
   (( segid "    " and resid "18  " and name "HG2 "))
      1.700     0.400     0.600 peak  1484 weight  0.10000E+01 volume  0.60217E+03 ppm1      2.199 ppm2      1.904
 ASSI { 1485}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HG1 "))
      1.600     0.300     0.600 peak  1485 weight  0.10000E+01 volume  0.74004E+03 ppm1      2.139 ppm2      1.925
 OR { 1485}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "21  " and name "HG2 "))
 OR { 1485}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HG2 "))
 ASSI { 1486}
   (( segid "    " and resid "18  " and name "HB1 "))
   (( segid "    " and resid "18  " and name "HG1 "))
      2.300     0.700     0.900 peak  1486 weight  0.10000E+01 volume  0.11098E+03 ppm1      2.193 ppm2      1.993
 ASSI { 1493}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HG1 "))
      2.200     0.600     0.800 peak  1493 weight  0.10000E+01 volume  0.14312E+03 ppm1      2.066 ppm2      2.426
 OR { 1493}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HG2 "))
 ASSI { 1495}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "18  " and name "HB1 "))
      1.800     0.400     0.600 peak  1495 weight  0.10000E+01 volume  0.41408E+03 ppm1      2.054 ppm2      2.192
 ASSI { 1496}
   (( segid "    " and resid "40  " and name "HB1 "))
   (( segid "    " and resid "30  " and name "HB  "))
      1.700     0.400     0.600 peak  1496 weight  0.10000E+01 volume  0.70800E+03 ppm1      2.050 ppm2      2.121
 ASSI { 1501}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HB1 "))
      1.500     0.300     0.700 peak  1501 weight  0.10000E+01 volume  0.10911E+04 ppm1      1.913 ppm2      2.053
 ASSI { 1507}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HG1 "))
      2.200     0.600     0.800 peak  1507 weight  0.10000E+01 volume  0.13607E+03 ppm1      1.830 ppm2      2.355
 ASSI { 1508}
   (( segid "    " and resid "37  " and name "HG1 "))
   (( segid "    " and resid "7   " and name "HB  "))
      1.800     1.800     2.700 peak  1508 weight  0.10000E+01 volume  0.47325E+03 ppm1      1.824 ppm2      2.066
 OR { 1508}
   (( segid "    " and resid "37  " and name "HG2 "))
   (( segid "    " and resid "7   " and name "HB  "))
 ASSI { 1510}
   (( segid "    " and resid "61  " and name "HG11"))
   (( segid "    " and resid "61  " and name "HB  "))
      2.200     0.600     0.800 peak  1510 weight  0.10000E+01 volume  0.11433E+03 ppm1      1.631 ppm2      2.404
 ASSI { 1511}
   (( segid "    " and resid "25  " and name "HB1 "))
   (( segid "    " and resid "25  " and name "HG2 "))
      3.300     1.400     1.600 peak  1511 weight  0.10000E+01 volume  0.11111E+02 ppm1      1.695 ppm2      2.190
 OR { 1511}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "25  " and name "HG1 "))
 OR { 1511}
   (( segid "    " and resid "25  " and name "HB1 "))
   (( segid "    " and resid "25  " and name "HG1 "))
 ASSI { 1514}
   (( segid "    " and resid "8   " and name "HG1 "))
   (( segid "    " and resid "8   " and name "HB2 "))
      2.600     0.800     1.000 peak  1514 weight  0.10000E+01 volume  0.46494E+02 ppm1      1.562 ppm2      1.991
 OR { 1514}
   (( segid "    " and resid "8   " and name "HG1 "))
   (( segid "    " and resid "8   " and name "HB1 "))
 ASSI { 1515}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "30  " and name "HB  "))
      2.200     0.600     0.800 peak  1515 weight  0.10000E+01 volume  0.14351E+03 ppm1      1.458 ppm2      2.132
 ASSI { 1516}
   (( segid "    " and resid "61  " and name "HG12"))
   (( segid "    " and resid "61  " and name "HB  "))
      2.300     0.700     0.900 peak  1516 weight  0.10000E+01 volume  0.92848E+02 ppm1      1.518 ppm2      2.404
 ASSI { 1517}
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
   (( segid "    " and resid "25  " and name "HG1 "))
      3.600     1.600     1.800 peak  1517 weight  0.10000E+01 volume  0.65524E+01 ppm1      1.156 ppm2      2.190
 OR { 1517}
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
   (( segid "    " and resid "25  " and name "HG2 "))
 ASSI { 1518}
   (( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HB  "))
      2.400     0.700     0.900 peak  1518 weight  0.10000E+01 volume  0.83096E+02 ppm1      1.132 ppm2      2.134
 ASSI { 1521}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "68  " and name "HB  "))
      2.400     0.700     0.900 peak  1521 weight  0.10000E+01 volume  0.85300E+02 ppm1      0.989 ppm2      2.243
 ASSI { 1526}
   (( segid "    " and resid "7   " and name "HG21")
     OR 
    ( segid "    " and resid "7   " and name "HG23")
     OR 
    ( segid "    " and resid "7   " and name "HG22"))
   (( segid "    " and resid "7   " and name "HB  "))
      2.400     0.700     0.900 peak  1526 weight  0.10000E+01 volume  0.85584E+02 ppm1      0.914 ppm2      2.079
 ASSI { 1527}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "68  " and name "HB  "))
      2.900     1.100     1.300 peak  1527 weight  0.10000E+01 volume  0.24431E+02 ppm1      0.839 ppm2      2.242
 OR { 1527}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "68  " and name "HB  "))
 ASSI { 1529}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HB1 "))
      2.100     0.600     0.800 peak  1529 weight  0.10000E+01 volume  0.17530E+03 ppm1      0.835 ppm2      2.048
 OR { 1529}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "64  " and name "HB2 "))
 ASSI { 1536}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "61  " and name "HB  "))
      2.800     1.000     1.200 peak  1536 weight  0.10000E+01 volume  0.28579E+02 ppm1      0.701 ppm2      2.404
 ASSI { 1537}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HB1 "))
      3.000     1.100     1.300 peak  1537 weight  0.10000E+01 volume  0.18564E+02 ppm1      0.701 ppm2      2.053
 OR { 1537}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HB2 "))
 ASSI { 1540}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "41  " and name "HG12"))
      2.200     0.600     0.800 peak  1540 weight  0.10000E+01 volume  0.14233E+03 ppm1      0.731 ppm2      1.048
 OR { 1540}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "41  " and name "HG11"))
 ASSI { 1543}
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      2.700     2.700     1.800 peak  1543 weight  0.10000E+01 volume  0.41177E+02 ppm1      0.743 ppm2      1.286
 ASSI { 1545}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "54  " and name "HB2 "))
      2.000     0.500     0.700 peak  1545 weight  0.10000E+01 volume  0.20991E+03 ppm1      0.722 ppm2      1.442
 ASSI { 1552}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "27  " and name "HB1 "))
      2.700     0.900     1.100 peak  1552 weight  0.10000E+01 volume  0.36661E+02 ppm1      0.843 ppm2      1.228
 OR { 1552}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "27  " and name "HB1 "))
 ASSI { 1554}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      2.400     0.700     0.900 peak  1554 weight  0.10000E+01 volume  0.76346E+02 ppm1      0.842 ppm2      1.291
 ASSI { 1556}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "54  " and name "HB2 "))
      2.100     0.600     0.800 peak  1556 weight  0.10000E+01 volume  0.18610E+03 ppm1      0.829 ppm2      1.450
 OR { 1556}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "54  " and name "HB2 "))
 ASSI { 1559}
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
   (( segid "    " and resid "12  " and name "HG11"))
      2.700     0.900     1.100 peak  1559 weight  0.10000E+01 volume  0.38166E+02 ppm1      0.946 ppm2      1.247
 OR { 1559}
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
   (( segid "    " and resid "12  " and name "HG12"))
 ASSI { 1561}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      2.200     2.200     2.300 peak  1561 weight  0.10000E+01 volume  0.12340E+03 ppm1      1.053 ppm2      1.166
 OR { 1561}
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
 ASSI { 1564}
   (( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HG12"))
      1.700     0.400     0.600 peak  1564 weight  0.10000E+01 volume  0.61892E+03 ppm1      1.132 ppm2      1.456
 ASSI { 1576}
   (( segid "    " and resid "42  " and name "HB  "))
   (( segid "    " and resid "42  " and name "HG11"))
      3.000     1.100     1.300 peak  1576 weight  0.10000E+01 volume  0.21223E+02 ppm1      1.821 ppm2      1.098
 OR { 1576}
   (( segid "    " and resid "42  " and name "HB  "))
   (( segid "    " and resid "42  " and name "HG12"))
 ASSI { 1578}
   (( segid "    " and resid "12  " and name "HB  "))
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
      2.100     0.600     0.800 peak  1578 weight  0.10000E+01 volume  0.16567E+03 ppm1      1.946 ppm2      0.942
 ASSI { 1580}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
      2.100     0.600     0.800 peak  1580 weight  0.10000E+01 volume  0.17542E+03 ppm1      2.136 ppm2      1.078
 ASSI { 1584}
   (( segid "    " and resid "68  " and name "HB  "))
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
      2.000     0.500     0.700 peak  1584 weight  0.10000E+01 volume  0.24699E+03 ppm1      2.246 ppm2      0.970
 ASSI { 1589}
   (( segid "    " and resid "35  " and name "HB1 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      3.700     1.700     1.800 peak  1589 weight  0.10000E+01 volume  0.60835E+01 ppm1      2.722 ppm2      0.954
 ASSI { 1599}
   (( segid "    " and resid "20  " and name "HB1 "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      2.700     0.900     1.100 peak  1599 weight  0.10000E+01 volume  0.39643E+02 ppm1      2.928 ppm2      1.432
 ASSI { 1605}
   (( segid "    " and resid "36  " and name "HA  "))
   (( segid "    " and resid "37  " and name "HD2 "))
      2.400     0.700     0.900 peak  1605 weight  0.10000E+01 volume  0.83842E+02 ppm1      5.138 ppm2      3.652
 ASSI { 1612}
   (( segid "    " and resid "15  " and name "HB2 "))
   (( segid "    " and resid "15  " and name "HB1 "))
      1.600     0.300     0.600 peak  1612 weight  0.10000E+01 volume  0.94098E+03 ppm1      3.997 ppm2      3.841
 ASSI { 1613}
   (( segid "    " and resid "21  " and name "HD2 "))
   (( segid "    " and resid "21  " and name "HD1 "))
      1.500     0.300     0.700 peak  1613 weight  0.10000E+01 volume  0.13040E+04 ppm1      4.009 ppm2      3.893
 ASSI { 1616}
   (( segid "    " and resid "18  " and name "HD1 "))
   (( segid "    " and resid "18  " and name "HD2 "))
      1.700     0.400     0.600 peak  1616 weight  0.10000E+01 volume  0.64428E+03 ppm1      3.837 ppm2      3.680
 ASSI { 1624}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HD1 "))
      3.200     1.300     1.500 peak  1624 weight  0.10000E+01 volume  0.12608E+02 ppm1      2.820 ppm2      3.892
 ASSI { 1626}
   (( segid "    " and resid "36  " and name "HB1 "))
   (( segid "    " and resid "37  " and name "HD2 "))
      3.900     1.900     1.600 peak  1626 weight  0.10000E+01 volume  0.41599E+01 ppm1      2.887 ppm2      3.654
 ASSI { 1628}
   (( segid "    " and resid "36  " and name "HB1 "))
   (( segid "    " and resid "37  " and name "HD1 "))
      4.500     2.500     1.000 peak  1628 weight  0.10000E+01 volume  0.18226E+01 ppm1      2.870 ppm2      3.701
 ASSI { 1632}
   (( segid "    " and resid "9   " and name "HB1 "))
   (( segid "    " and resid "9   " and name "HB2 "))
      3.700     3.700     0.800 peak  1632 weight  0.10000E+01 volume  0.54313E+01 ppm1      2.693 ppm2      3.803
 ASSI { 1634}
   (( segid "    " and resid "17  " and name "HG1 "))
   (( segid "    " and resid "18  " and name "HD1 "))
      3.200     1.300     1.500 peak  1634 weight  0.10000E+01 volume  0.14384E+02 ppm1      2.430 ppm2      3.836
 OR { 1634}
   (( segid "    " and resid "17  " and name "HG2 "))
   (( segid "    " and resid "18  " and name "HD1 "))
 ASSI { 1636}
   (( segid "    " and resid "61  " and name "HB  "))
   (( segid "    " and resid "61  " and name "HA  "))
      2.500     0.800     1.000 peak  1636 weight  0.10000E+01 volume  0.59917E+02 ppm1      2.409 ppm2      3.895
 ASSI { 1640}
   (( segid "    " and resid "18  " and name "HB1 "))
   (( segid "    " and resid "18  " and name "HD2 "))
      3.100     1.200     1.400 peak  1640 weight  0.10000E+01 volume  0.16948E+02 ppm1      2.199 ppm2      3.681
 ASSI { 1642}
   (( segid "    " and resid "37  " and name "HB2 "))
   (( segid "    " and resid "37  " and name "HD2 "))
      3.100     1.200     1.400 peak  1642 weight  0.10000E+01 volume  0.17132E+02 ppm1      2.119 ppm2      3.653
 OR { 1642}
   (( segid "    " and resid "37  " and name "HB1 "))
   (( segid "    " and resid "37  " and name "HD2 "))
 ASSI { 1643}
   (( segid "    " and resid "37  " and name "HB1 "))
   (( segid "    " and resid "37  " and name "HD1 "))
      2.800     1.000     1.200 peak  1643 weight  0.10000E+01 volume  0.31738E+02 ppm1      2.117 ppm2      3.700
 OR { 1643}
   (( segid "    " and resid "37  " and name "HB2 "))
   (( segid "    " and resid "37  " and name "HD1 "))
 ASSI { 1644}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "18  " and name "HD2 "))
      1.800     0.400     0.600 peak  1644 weight  0.10000E+01 volume  0.44972E+03 ppm1      2.063 ppm2      3.680
 ASSI { 1645}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "21  " and name "HD1 "))
      2.500     0.800     1.000 peak  1645 weight  0.10000E+01 volume  0.56767E+02 ppm1      2.139 ppm2      3.892
 OR { 1645}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HD1 "))
 ASSI { 1652}
   (( segid "    " and resid "59  " and name "HB1 "))
   (( segid "    " and resid "59  " and name "HA  "))
      2.100     0.600     0.800 peak  1652 weight  0.10000E+01 volume  0.15846E+03 ppm1      1.902 ppm2      3.908
 ASSI { 1653}
   (( segid "    " and resid "37  " and name "HG2 "))
   (( segid "    " and resid "37  " and name "HD2 "))
      2.400     0.700     0.900 peak  1653 weight  0.10000E+01 volume  0.78222E+02 ppm1      1.825 ppm2      3.654
 OR { 1653}
   (( segid "    " and resid "37  " and name "HG1 "))
   (( segid "    " and resid "37  " and name "HD2 "))
 ASSI { 1654}
   (( segid "    " and resid "37  " and name "HG1 "))
   (( segid "    " and resid "37  " and name "HD1 "))
      2.200     0.600     0.800 peak  1654 weight  0.10000E+01 volume  0.11593E+03 ppm1      1.823 ppm2      3.703
 OR { 1654}
   (( segid "    " and resid "37  " and name "HG2 "))
   (( segid "    " and resid "37  " and name "HD1 "))
 ASSI { 1660}
   (( segid "    " and resid "61  " and name "HG12"))
   (( segid "    " and resid "61  " and name "HA  "))
      2.500     0.800     1.000 peak  1660 weight  0.10000E+01 volume  0.60633E+02 ppm1      1.515 ppm2      3.897
 ASSI { 1662}
   (( segid "    " and resid "10  " and name "HG21")
     OR 
    ( segid "    " and resid "10  " and name "HG23")
     OR 
    ( segid "    " and resid "10  " and name "HG22"))
   (( segid "    " and resid "10  " and name "HB  "))
      1.900     0.500     0.700 peak  1662 weight  0.10000E+01 volume  0.33855E+03 ppm1      1.174 ppm2      4.151
 ASSI { 1663}
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
   (( segid "    " and resid "32  " and name "HA  "))
      2.000     0.500     0.700 peak  1663 weight  0.10000E+01 volume  0.21995E+03 ppm1      1.171 ppm2      4.269
 ASSI { 1664}
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
   (( segid "    " and resid "31  " and name "HD2 "))
      2.600     0.800     1.000 peak  1664 weight  0.10000E+01 volume  0.47076E+02 ppm1      1.081 ppm2      3.815
 ASSI { 1665}
   (( segid "    " and resid "42  " and name "HG11"))
   (( segid "    " and resid "42  " and name "HA  "))
      2.600     0.800     1.000 peak  1665 weight  0.10000E+01 volume  0.46303E+02 ppm1      1.092 ppm2      4.580
 OR { 1665}
   (( segid "    " and resid "42  " and name "HG12"))
   (( segid "    " and resid "42  " and name "HA  "))
 ASSI { 1666}
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
   (( segid "    " and resid "13  " and name "HB2 "))
      3.100     1.200     1.400 peak  1666 weight  0.10000E+01 volume  0.16876E+02 ppm1      0.943 ppm2      3.797
 OR { 1666}
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
   (( segid "    " and resid "13  " and name "HB1 "))
 ASSI { 1670}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "61  " and name "HA  "))
      2.000     0.500     0.700 peak  1670 weight  0.10000E+01 volume  0.26538E+03 ppm1      0.700 ppm2      3.894
 ASSI { 1671}
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
   (( segid "    " and resid "42  " and name "HA  "))
      2.100     0.600     0.800 peak  1671 weight  0.10000E+01 volume  0.19282E+03 ppm1      0.751 ppm2      4.581
 ASSI { 1672}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "42  " and name "HA  "))
      3.100     1.200     1.400 peak  1672 weight  0.10000E+01 volume  0.16000E+02 ppm1      0.723 ppm2      4.581
 ASSI { 1673}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "61  " and name "HG11"))
      2.000     0.500     0.700 peak  1673 weight  0.10000E+01 volume  0.21843E+03 ppm1      0.700 ppm2      1.629
 ASSI { 1674}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
      1.900     0.500     0.700 peak  1674 weight  0.10000E+01 volume  0.27239E+03 ppm1      0.762 ppm2      1.391
 OR { 1674}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
 OR { 1674}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
 ASSI { 1685}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "24  " and name "HB2 "))
      2.300     2.300     2.200 peak  1685 weight  0.10000E+01 volume  0.93267E+02 ppm1      0.843 ppm2      1.684
 ASSI { 1693}
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
   (( segid "    " and resid "25  " and name "HB2 "))
      2.200     0.600     0.800 peak  1693 weight  0.10000E+01 volume  0.13087E+03 ppm1      1.156 ppm2      1.706
 ASSI { 1694}
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HB2 "))
      1.800     0.400     0.600 peak  1694 weight  0.10000E+01 volume  0.39644E+03 ppm1      1.231 ppm2      1.892
 ASSI { 1697}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "24  " and name "HB2 "))
      1.900     0.500     0.700 peak  1697 weight  0.10000E+01 volume  0.27720E+03 ppm1      1.396 ppm2      1.683
 OR { 1697}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "24  " and name "HB1 "))
 OR { 1697}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "24  " and name "HB1 "))
 ASSI { 1699}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "54  " and name "HG  "))
      2.200     0.600     0.800 peak  1699 weight  0.10000E+01 volume  0.14279E+03 ppm1      1.292 ppm2      1.648
 ASSI { 1700}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "52  " and name "HB2 "))
      2.200     0.600     0.800 peak  1700 weight  0.10000E+01 volume  0.12059E+03 ppm1      1.293 ppm2      1.728
 ASSI { 1701}
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "27  " and name "HB2 "))
      2.100     0.600     0.800 peak  1701 weight  0.10000E+01 volume  0.17141E+03 ppm1      1.312 ppm2      1.892
 ASSI { 1703}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "54  " and name "HB2 "))
      2.100     2.100     2.400 peak  1703 weight  0.10000E+01 volume  0.17337E+03 ppm1      1.292 ppm2      1.443
 OR { 1703}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "54  " and name "HB1 "))
 ASSI { 1705}
   (( segid "    " and resid "26  " and name "HG2 "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      1.800     0.400     0.600 peak  1705 weight  0.10000E+01 volume  0.45624E+03 ppm1      1.384 ppm2      1.154
 OR { 1705}
   (( segid "    " and resid "26  " and name "HG1 "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
 ASSI { 1712}
   (( segid "    " and resid "61  " and name "HG12"))
   (( segid "    " and resid "61  " and name "HG11"))
      1.400     0.200     0.800 peak  1712 weight  0.10000E+01 volume  0.21124E+04 ppm1      1.514 ppm2      1.622
 ASSI { 1719}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "47  " and name "HB1 "))
      1.700     0.400     0.600 peak  1719 weight  0.10000E+01 volume  0.70326E+03 ppm1      1.747 ppm2      1.925
 ASSI { 1726}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HG  "))
      1.900     0.500     0.700 peak  1726 weight  0.10000E+01 volume  0.28169E+03 ppm1      2.055 ppm2      1.592
 OR { 1726}
   (( segid "    " and resid "64  " and name "HB1 "))
   (( segid "    " and resid "64  " and name "HG  "))
 ASSI { 1728}
   (( segid "    " and resid "8   " and name "HB1 "))
   (( segid "    " and resid "8   " and name "HG2 "))
      1.700     0.400     0.600 peak  1728 weight  0.10000E+01 volume  0.68148E+03 ppm1      1.997 ppm2      1.692
 OR { 1728}
   (( segid "    " and resid "8   " and name "HB2 "))
   (( segid "    " and resid "8   " and name "HG2 "))
 ASSI { 1736}
   (( segid "    " and resid "57  " and name "HB1 "))
   (( segid "    " and resid "57  " and name "HB2 "))
      1.700     0.400     0.600 peak  1736 weight  0.10000E+01 volume  0.62661E+03 ppm1      2.236 ppm2      1.823
 ASSI { 1741}
   (( segid "    " and resid "40  " and name "HG1 "))
   (( segid "    " and resid "40  " and name "HB2 "))
      1.800     0.400     0.600 peak  1741 weight  0.10000E+01 volume  0.50792E+03 ppm1      2.555 ppm2      1.886
 OR { 1741}
   (( segid "    " and resid "40  " and name "HG2 "))
   (( segid "    " and resid "40  " and name "HB2 "))
 ASSI { 1755}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HG1 "))
      3.000     1.100     1.300 peak  1755 weight  0.10000E+01 volume  0.18763E+02 ppm1      3.289 ppm2      1.695
 OR { 1755}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HG2 "))
 ASSI { 1762}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      3.400     1.400     1.600 peak  1762 weight  0.10000E+01 volume  0.89844E+01 ppm1      3.284 ppm2      1.165
 ASSI { 1765}
   (( segid "    " and resid "18  " and name "HD2 "))
   (( segid "    " and resid "18  " and name "HG2 "))
      2.600     0.800     1.000 peak  1765 weight  0.10000E+01 volume  0.45182E+02 ppm1      3.683 ppm2      1.892
 ASSI { 1766}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
      2.200     2.200     2.300 peak  1766 weight  0.10000E+01 volume  0.12397E+03 ppm1      3.909 ppm2      1.395
 OR { 1766}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
 ASSI { 1771}
   (( segid "    " and resid "49  " and name "HA2 "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      2.400     0.700     0.900 peak  1771 weight  0.10000E+01 volume  0.71119E+02 ppm1      3.916 ppm2      1.156
 OR { 1771}
   (( segid "    " and resid "49  " and name "HA1 "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
 ASSI { 1774}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HB1 "))
      2.200     0.600     0.800 peak  1774 weight  0.10000E+01 volume  0.12765E+03 ppm1      3.968 ppm2      1.789
 ASSI { 1775}
   (( segid "    " and resid "44  " and name "HB  "))
   (( segid "    " and resid "26  " and name "HB1 "))
      2.500     0.800     1.000 peak  1775 weight  0.10000E+01 volume  0.56599E+02 ppm1      3.950 ppm2      1.792
 ASSI { 1782}
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      2.200     2.200     2.300 peak  1782 weight  0.10000E+01 volume  0.12603E+03 ppm1      4.170 ppm2      1.173
 ASSI { 1786}
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "10  " and name "HG21")
     OR 
    ( segid "    " and resid "10  " and name "HG23")
     OR 
    ( segid "    " and resid "10  " and name "HG22"))
      2.000     0.500     0.700 peak  1786 weight  0.10000E+01 volume  0.22660E+03 ppm1      4.253 ppm2      1.174
 ASSI { 1787}
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      2.000     0.500     0.700 peak  1787 weight  0.10000E+01 volume  0.22054E+03 ppm1      4.214 ppm2      1.439
 ASSI { 1788}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      2.200     0.600     0.800 peak  1788 weight  0.10000E+01 volume  0.11557E+03 ppm1      4.269 ppm2      1.558
 ASSI { 1792}
   (( segid "    " and resid "39  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HB  "))
      3.300     1.400     1.600 peak  1792 weight  0.10000E+01 volume  0.10690E+02 ppm1      4.216 ppm2      1.866
 ASSI { 1809}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      2.300     0.700     0.900 peak  1809 weight  0.10000E+01 volume  0.93175E+02 ppm1      4.267 ppm2      0.953
 ASSI { 1812}
   (( segid "    " and resid "12  " and name "HA  "))
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
      2.400     0.700     0.900 peak  1812 weight  0.10000E+01 volume  0.83932E+02 ppm1      4.106 ppm2      0.943
 ASSI { 1818}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      2.100     0.600     0.800 peak  1818 weight  0.10000E+01 volume  0.18571E+03 ppm1      3.906 ppm2      0.873
 ASSI { 1822}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      2.300     0.700     0.900 peak  1822 weight  0.10000E+01 volume  0.96918E+02 ppm1      3.914 ppm2      0.992
 ASSI { 1840}
   (( segid "    " and resid "61  " and name "HB  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      2.200     0.600     0.800 peak  1840 weight  0.10000E+01 volume  0.14064E+03 ppm1      2.406 ppm2      0.759
 ASSI { 1844}
   (( segid "    " and resid "68  " and name "HB  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      4.200     2.200     1.300 peak  1844 weight  0.10000E+01 volume  0.27139E+01 ppm1      2.245 ppm2      0.765
 OR { 1844}
   (( segid "    " and resid "68  " and name "HB  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI { 1853}
   (( segid "    " and resid "7   " and name "HB  "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      2.100     0.600     0.800 peak  1853 weight  0.10000E+01 volume  0.17376E+03 ppm1      2.081 ppm2      0.953
 ASSI { 1854}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
      1.900     0.500     0.700 peak  1854 weight  0.10000E+01 volume  0.33283E+03 ppm1      1.893 ppm2      0.717
 ASSI { 1856}
   (( segid "    " and resid "39  " and name "HB  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      1.700     0.400     0.600 peak  1856 weight  0.10000E+01 volume  0.61494E+03 ppm1      1.872 ppm2      0.826
 ASSI { 1859}
   (( segid "    " and resid "42  " and name "HB  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
      1.800     0.400     0.600 peak  1859 weight  0.10000E+01 volume  0.38557E+03 ppm1      1.824 ppm2      0.752
 ASSI { 1861}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HG11"))
      2.600     0.800     1.000 peak  1861 weight  0.10000E+01 volume  0.49862E+02 ppm1      1.753 ppm2      0.948
 OR { 1861}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HG12"))
 ASSI { 1862}
   (( segid "    " and resid "37  " and name "HG1 "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      3.300     1.400     1.600 peak  1862 weight  0.10000E+01 volume  0.11586E+02 ppm1      1.816 ppm2      1.162
 OR { 1862}
   (( segid "    " and resid "37  " and name "HG2 "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
 ASSI { 1864}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      2.300     2.300     2.200 peak  1864 weight  0.10000E+01 volume  0.99806E+02 ppm1      1.686 ppm2      0.838
 OR { 1864}
   (( segid "    " and resid "24  " and name "HB1 "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 ASSI { 1867}
   (( segid "    " and resid "54  " and name "HG  "))
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
      1.700     0.400     0.600 peak  1867 weight  0.10000E+01 volume  0.58775E+03 ppm1      1.649 ppm2      0.726
 ASSI { 1868}
   (( segid "    " and resid "54  " and name "HG  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      1.700     1.700     2.800 peak  1868 weight  0.10000E+01 volume  0.63081E+03 ppm1      1.648 ppm2      0.771
 OR { 1868}
   (( segid "    " and resid "54  " and name "HG  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI { 1871}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      1.700     0.400     0.600 peak  1871 weight  0.10000E+01 volume  0.51970E+03 ppm1      1.590 ppm2      0.837
 OR { 1871}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
 ASSI { 1872}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      2.200     0.600     0.800 peak  1872 weight  0.10000E+01 volume  0.13949E+03 ppm1      1.592 ppm2      0.993
 ASSI { 1874}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      2.300     2.300     2.200 peak  1874 weight  0.10000E+01 volume  0.11110E+03 ppm1      1.598 ppm2      1.291
 ASSI { 1878}
   (( segid "    " and resid "61  " and name "HG12"))
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
      1.800     0.400     0.600 peak  1878 weight  0.10000E+01 volume  0.44329E+03 ppm1      1.512 ppm2      0.704
 ASSI { 1879}
   (( segid "    " and resid "61  " and name "HG12"))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      1.700     0.400     0.600 peak  1879 weight  0.10000E+01 volume  0.60760E+03 ppm1      1.511 ppm2      0.758
 ASSI { 1884}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      2.300     0.700     0.900 peak  1884 weight  0.10000E+01 volume  0.91816E+02 ppm1      1.403 ppm2      0.837
 OR { 1884}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 ASSI { 1885}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "64  " and name "HG  "))
      2.200     0.600     0.800 peak  1885 weight  0.10000E+01 volume  0.13626E+03 ppm1      1.396 ppm2      1.591
 OR { 1885}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HG  "))
 ASSI { 1887}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      1.800     0.400     0.600 peak  1887 weight  0.10000E+01 volume  0.41725E+03 ppm1      1.293 ppm2      0.767
 OR { 1887}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI { 1893}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      2.300     0.700     0.900 peak  1893 weight  0.10000E+01 volume  0.92139E+02 ppm1      0.991 ppm2      0.835
 OR { 1893}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 ASSI { 1894}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      2.400     0.700     0.900 peak  1894 weight  0.10000E+01 volume  0.74545E+02 ppm1      0.996 ppm2      0.766
 OR { 1894}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI { 1903}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "20  " and name "HD21"))
      5.000     3.100     0.500 peak  1903 weight  0.10000E+01 volume -0.68000E-01 ppm1      0.835 ppm2      7.549
 OR { 1903}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "20  " and name "HD21"))
 ASSI { 1908}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "54  " and name "HN  "))
      4.400     2.400     1.100 peak  1908 weight  0.10000E+01 volume  0.20760E+01 ppm1      5.802 ppm2      8.893
 ASSI { 1910}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HN  "))
      4.900     3.000     0.600 peak  1910 weight  0.10000E+01 volume  0.10747E+01 ppm1      5.803 ppm2      9.495
 ASSI { 1911}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HN  "))
      4.500     2.500     1.000 peak  1911 weight  0.10000E+01 volume  0.18939E+01 ppm1      5.346 ppm2      9.066
 ASSI { 1912}
   (( segid "    " and resid "51  " and name "HA  "))
   (( segid "    " and resid "45  " and name "HN  "))
      5.000     3.100     0.500 peak  1912 weight  0.10000E+01 volume -0.26900E+00 ppm1      5.344 ppm2      9.269
 ASSI { 1913}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "44  " and name "HN  "))
      4.300     2.300     1.200 peak  1913 weight  0.10000E+01 volume  0.23084E+01 ppm1      5.029 ppm2      8.560
 ASSI { 1922}
   (( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HN  "))
      5.000     3.100     0.500 peak  1922 weight  0.10000E+01 volume -0.11260E+01 ppm1      1.131 ppm2      9.636
 ASSI { 1924}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "30  " and name "HN  "))
      5.000     3.100     0.500 peak  1924 weight  0.10000E+01 volume -0.40700E+00 ppm1      1.044 ppm2      9.638
 OR { 1924}
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
   (( segid "    " and resid "30  " and name "HN  "))
 ASSI { 1927}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "43  " and name "HN  "))
      5.500     3.800     0.000 peak  1927 weight  0.10000E+01 volume  0.57400E-01 ppm1      0.725 ppm2      9.494
 ASSI { 1929}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "43  " and name "HN  "))
      4.300     2.300     1.200 peak  1929 weight  0.10000E+01 volume  0.23959E+01 ppm1      0.765 ppm2      9.496
 OR { 1929}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "43  " and name "HN  "))
 ASSI { 1930}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "43  " and name "HN  "))
      4.700     2.800     0.800 peak  1930 weight  0.10000E+01 volume  0.13011E+01 ppm1      1.292 ppm2      9.496
 ASSI { 1931}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "30  " and name "HN  "))
      5.000     3.100     0.500 peak  1931 weight  0.10000E+01 volume -0.16330E+01 ppm1      1.458 ppm2      9.637
 ASSI { 1934}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "25  " and name "HN  "))
      5.000     3.100     0.500 peak  1934 weight  0.10000E+01 volume -0.62000E+00 ppm1      1.399 ppm2      9.394
 OR { 1934}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "25  " and name "HN  "))
 ASSI { 1935}
   (( segid "    " and resid "25  " and name "HB1 "))
   (( segid "    " and resid "25  " and name "HN  "))
      5.000     3.100     0.500 peak  1935 weight  0.10000E+01 volume -0.16100E+01 ppm1      1.687 ppm2      9.394
 OR { 1935}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "25  " and name "HN  "))
 ASSI { 1939}
   (( segid "    " and resid "54  " and name "HB2 "))
   (( segid "    " and resid "41  " and name "HN  "))
      5.000     3.100     0.500 peak  1939 weight  0.10000E+01 volume -0.18020E+01 ppm1      1.431 ppm2      9.301
 ASSI { 1944}
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
   (( segid "    " and resid "45  " and name "HN  "))
      5.000     3.100     0.500 peak  1944 weight  0.10000E+01 volume -0.76000E-01 ppm1      1.157 ppm2      9.273
 ASSI { 1946}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "41  " and name "HN  "))
      4.000     2.000     1.500 peak  1946 weight  0.10000E+01 volume  0.34340E+01 ppm1      1.895 ppm2      9.301
 ASSI { 1949}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HN  "))
      5.000     3.100     0.500 peak  1949 weight  0.10000E+01 volume  0.92540E+00 ppm1      2.134 ppm2      9.638
 ASSI { 1950}
   (( segid "    " and resid "40  " and name "HB1 "))
   (( segid "    " and resid "41  " and name "HN  "))
      4.900     3.000     0.600 peak  1950 weight  0.10000E+01 volume  0.10985E+01 ppm1      2.055 ppm2      9.302
 ASSI { 1953}
   (( segid "    " and resid "45  " and name "HB1 "))
   (( segid "    " and resid "45  " and name "HN  "))
      5.200     3.400     0.300 peak  1953 weight  0.10000E+01 volume  0.72680E+00 ppm1      2.403 ppm2      9.274
 ASSI { 1954}
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "45  " and name "HN  "))
      5.000     3.100     0.500 peak  1954 weight  0.10000E+01 volume -0.28200E+00 ppm1      2.500 ppm2      9.274
 ASSI { 1960}
   (( segid "    " and resid "11  " and name "HB2 "))
   (( segid "    " and resid "11  " and name "HN  "))
      5.000     3.100     0.500 peak  1960 weight  0.10000E+01 volume -0.10170E+01 ppm1      2.769 ppm2      9.357
 ASSI { 1961}
   (( segid "    " and resid "53  " and name "HB1 "))
   (( segid "    " and resid "11  " and name "HN  "))
      5.000     3.100     0.500 peak  1961 weight  0.10000E+01 volume -0.28300E+00 ppm1      3.261 ppm2      9.357
 ASSI { 1962}
   (( segid "    " and resid "11  " and name "HB1 "))
   (( segid "    " and resid "11  " and name "HN  "))
      5.000     3.100     0.500 peak  1962 weight  0.10000E+01 volume -0.27300E+00 ppm1      3.276 ppm2      9.357
 ASSI { 1967}
   (( segid "    " and resid "7   " and name "HA  "))
   (( segid "    " and resid "8   " and name "HN  "))
      4.100     2.100     1.400 peak  1967 weight  0.10000E+01 volume  0.29072E+01 ppm1      4.266 ppm2      8.586
 ASSI { 1968}
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HN  "))
      4.700     2.800     0.800 peak  1968 weight  0.10000E+01 volume  0.14030E+01 ppm1      4.250 ppm2      8.548
 ASSI { 1969}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "14  " and name "HN  "))
      4.800     2.900     0.700 peak  1969 weight  0.10000E+01 volume  0.11827E+01 ppm1      4.223 ppm2      8.497
 ASSI { 1974}
   (( segid "    " and resid "32  " and name "HA  "))
   (( segid "    " and resid "33  " and name "HN  "))
      5.000     3.100     0.500 peak  1974 weight  0.10000E+01 volume -0.12820E+01 ppm1      4.272 ppm2      8.851
 ASSI { 1985}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HN  "))
      5.300     3.500     0.200 peak  1985 weight  0.10000E+01 volume  0.67630E+00 ppm1      3.911 ppm2      8.214
 ASSI { 1994}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "16  " and name "HN  "))
      5.000     3.100     0.500 peak  1994 weight  0.10000E+01 volume -0.12800E+00 ppm1      3.841 ppm2      8.964
 ASSI { 1996}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "8   " and name "HN  "))
      5.500     3.800     0.000 peak  1996 weight  0.10000E+01 volume  0.40500E-01 ppm1      3.287 ppm2      8.588
 ASSI { 1997}
   (( segid "    " and resid "11  " and name "HB1 "))
   (( segid "    " and resid "12  " and name "HN  "))
      5.000     3.100     0.500 peak  1997 weight  0.10000E+01 volume -0.80900E+00 ppm1      3.274 ppm2      8.689
 ASSI { 2000}
   (( segid "    " and resid "16  " and name "HB2 "))
   (( segid "    " and resid "16  " and name "HN  "))
      4.500     2.500     1.000 peak  2000 weight  0.10000E+01 volume  0.17654E+01 ppm1      3.002 ppm2      8.964
 ASSI { 2002}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HN  "))
      5.000     3.100     0.500 peak  2002 weight  0.10000E+01 volume -0.18400E+00 ppm1      2.803 ppm2      8.547
 ASSI { 2009}
   (( segid "    " and resid "57  " and name "HG2 "))
   (( segid "    " and resid "55  " and name "HN  "))
      4.500     2.500     1.000 peak  2009 weight  0.10000E+01 volume  0.18911E+01 ppm1      2.682 ppm2      8.478
 ASSI { 2014}
   (( segid "    " and resid "40  " and name "HG2 "))
   (( segid "    " and resid "40  " and name "HN  "))
      5.200     3.400     0.300 peak  2014 weight  0.10000E+01 volume  0.71580E+00 ppm1      2.555 ppm2      8.410
 OR { 2014}
   (( segid "    " and resid "40  " and name "HG1 "))
   (( segid "    " and resid "40  " and name "HN  "))
 ASSI { 2016}
   (( segid "    " and resid "45  " and name "HB1 "))
   (( segid "    " and resid "46  " and name "HN  "))
      4.700     2.800     0.800 peak  2016 weight  0.10000E+01 volume  0.14305E+01 ppm1      2.403 ppm2      8.225
 ASSI { 2017}
   (( segid "    " and resid "61  " and name "HB  "))
   (( segid "    " and resid "62  " and name "HN  "))
      5.000     3.100     0.500 peak  2017 weight  0.10000E+01 volume -0.65000E+00 ppm1      2.406 ppm2      8.308
 ASSI { 2018}
   (( segid "    " and resid "57  " and name "HG1 "))
   (( segid "    " and resid "55  " and name "HN  "))
      5.000     3.100     0.500 peak  2018 weight  0.10000E+01 volume -0.53700E+00 ppm1      2.369 ppm2      8.481
 ASSI { 2019}
   (( segid "    " and resid "28  " and name "HG1 "))
   (( segid "    " and resid "28  " and name "HN  "))
      5.000     3.100     0.500 peak  2019 weight  0.10000E+01 volume -0.24700E+00 ppm1      2.245 ppm2      8.483
 ASSI { 2032}
   (( segid "    " and resid "54  " and name "HB2 "))
   (( segid "    " and resid "54  " and name "HN  "))
      4.500     2.500     1.000 peak  2032 weight  0.10000E+01 volume  0.18570E+01 ppm1      1.433 ppm2      8.893
 ASSI { 2034}
   (( segid "    " and resid "34  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HN  "))
      5.000     3.100     0.500 peak  2034 weight  0.10000E+01 volume  0.90320E+00 ppm1      1.612 ppm2      8.812
 ASSI { 2041}
   (( segid "    " and resid "14  " and name "HB  "))
   (( segid "    " and resid "15  " and name "HN  "))
      5.000     3.100     0.500 peak  2041 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.712 ppm2      8.697
 ASSI { 2046}
   (( segid "    " and resid "28  " and name "HB1 "))
   (( segid "    " and resid "28  " and name "HN  "))
      4.700     2.800     0.800 peak  2046 weight  0.10000E+01 volume  0.13387E+01 ppm1      1.967 ppm2      8.482
 ASSI { 2047}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "51  " and name "HN  "))
      4.600     2.600     0.900 peak  2047 weight  0.10000E+01 volume  0.15655E+01 ppm1      1.907 ppm2      8.482
 OR { 2047}
   (( segid "    " and resid "50  " and name "HB1 "))
   (( segid "    " and resid "51  " and name "HN  "))
 ASSI { 2048}
   (( segid "    " and resid "42  " and name "HB  "))
   (( segid "    " and resid "28  " and name "HN  "))
      5.000     3.100     0.500 peak  2048 weight  0.10000E+01 volume  0.90630E+00 ppm1      1.821 ppm2      8.482
 ASSI { 2053}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HN  "))
      3.600     1.600     1.800 peak  2053 weight  0.10000E+01 volume  0.71590E+01 ppm1      1.750 ppm2      8.451
 ASSI { 2054}
   (( segid "    " and resid "14  " and name "HB  "))
   (( segid "    " and resid "14  " and name "HN  "))
      4.400     2.400     1.100 peak  2054 weight  0.10000E+01 volume  0.20936E+01 ppm1      1.719 ppm2      8.492
 ASSI { 2055}
   (( segid "    " and resid "61  " and name "HG11"))
   (( segid "    " and resid "55  " and name "HN  "))
      5.500     3.800     0.000 peak  2055 weight  0.10000E+01 volume  0.28450E+00 ppm1      1.635 ppm2      8.479
 ASSI { 2056}
   (( segid "    " and resid "52  " and name "HB1 "))
   (( segid "    " and resid "51  " and name "HN  "))
      5.200     3.400     0.300 peak  2056 weight  0.10000E+01 volume  0.73850E+00 ppm1      1.611 ppm2      8.480
 ASSI { 2059}
   (( segid "    " and resid "54  " and name "HB1 "))
   (( segid "    " and resid "55  " and name "HN  "))
      5.000     3.100     0.500 peak  2059 weight  0.10000E+01 volume -0.11360E+01 ppm1      1.437 ppm2      8.479
 OR { 2059}
   (( segid "    " and resid "54  " and name "HB2 "))
   (( segid "    " and resid "55  " and name "HN  "))
 ASSI { 2065}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "65  " and name "HN  "))
      4.800     2.900     0.700 peak  2065 weight  0.10000E+01 volume  0.12055E+01 ppm1      1.395 ppm2      8.307
 OR { 2065}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI { 2066}
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "62  " and name "HN  "))
      4.100     2.100     1.400 peak  2066 weight  0.10000E+01 volume  0.30446E+01 ppm1      1.434 ppm2      8.306
 ASSI { 2068}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HN  "))
      5.000     3.100     0.500 peak  2068 weight  0.10000E+01 volume -0.62800E+00 ppm1      1.907 ppm2      8.409
 ASSI { 2070}
   (( segid "    " and resid "39  " and name "HB  "))
   (( segid "    " and resid "39  " and name "HN  "))
      4.600     2.600     0.900 peak  2070 weight  0.10000E+01 volume  0.15260E+01 ppm1      1.870 ppm2      8.256
 ASSI { 2071}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HN  "))
      5.000     3.100     0.500 peak  2071 weight  0.10000E+01 volume -0.75000E-01 ppm1      1.919 ppm2      8.217
 ASSI { 2094}
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
   (( segid "    " and resid "65  " and name "HN  "))
      3.800     1.800     1.700 peak  2094 weight  0.10000E+01 volume  0.52480E+01 ppm1      0.873 ppm2      8.295
 ASSI { 2096}
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
   (( segid "    " and resid "40  " and name "HN  "))
      4.900     3.000     0.600 peak  2096 weight  0.10000E+01 volume  0.10632E+01 ppm1      1.082 ppm2      8.413
 ASSI { 2099}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "20  " and name "HN  "))
      5.000     3.100     0.500 peak  2099 weight  0.10000E+01 volume -0.86120E+01 ppm1      0.761 ppm2      8.545
 OR { 2099}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI { 2100}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "55  " and name "HN  "))
      5.000     3.100     0.500 peak  2100 weight  0.10000E+01 volume -0.60600E+00 ppm1      0.700 ppm2      8.477
 ASSI { 2101}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "55  " and name "HN  "))
      5.000     3.100     0.500 peak  2101 weight  0.10000E+01 volume -0.87400E+01 ppm1      0.731 ppm2      8.475
 ASSI { 2102}
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
   (( segid "    " and resid "40  " and name "HN  "))
      4.500     2.500     1.000 peak  2102 weight  0.10000E+01 volume  0.18121E+01 ppm1      0.761 ppm2      8.420
 OR { 2102}
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
   (( segid "    " and resid "40  " and name "HN  "))
 ASSI { 2103}
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
   (( segid "    " and resid "38  " and name "HN  "))
      4.500     2.500     1.000 peak  2103 weight  0.10000E+01 volume  0.17489E+01 ppm1      1.171 ppm2      7.918
 ASSI { 2104}
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
   (( segid "    " and resid "26  " and name "HN  "))
      5.000     3.100     0.500 peak  2104 weight  0.10000E+01 volume -0.11910E+01 ppm1      1.157 ppm2      7.766
 ASSI { 2105}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "69  " and name "HN  "))
      5.000     3.100     0.500 peak  2105 weight  0.10000E+01 volume -0.11950E+01 ppm1      0.991 ppm2      7.945
 ASSI { 2106}
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
   (( segid "    " and resid "69  " and name "HN  "))
      5.000     3.100     0.500 peak  2106 weight  0.10000E+01 volume -0.29310E+01 ppm1      0.964 ppm2      7.944
 ASSI { 2108}
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
   (( segid "    " and resid "13  " and name "HN  "))
      4.500     2.500     1.000 peak  2108 weight  0.10000E+01 volume  0.16833E+01 ppm1      0.944 ppm2      7.796
 ASSI { 2110}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "19  " and name "HN  "))
      5.000     3.100     0.500 peak  2110 weight  0.10000E+01 volume -0.16000E-01 ppm1      0.768 ppm2      7.550
 ASSI { 2121}
   (( segid "    " and resid "57  " and name "HB2 "))
   (( segid "    " and resid "58  " and name "HN  "))
      5.000     3.100     0.500 peak  2121 weight  0.10000E+01 volume -0.14640E+01 ppm1      1.829 ppm2      7.286
 ASSI { 2122}
   (( segid "    " and resid "34  " and name "HG1 "))
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
      3.300     1.400     1.600 peak  2122 weight  0.10000E+01 volume  0.11619E+02 ppm1      1.702 ppm2      7.264
 OR { 2122}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
 ASSI { 2123}
   (( segid "    " and resid "47  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HN  "))
      5.500     3.800     0.000 peak  2123 weight  0.10000E+01 volume  0.23690E+00 ppm1      1.746 ppm2      7.259
 ASSI { 2135}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "66  " and name "HN  "))
      4.600     2.600     0.900 peak  2135 weight  0.10000E+01 volume  0.16442E+01 ppm1      1.589 ppm2      7.520
 ASSI { 2136}
   (( segid "    " and resid "66  " and name "HB1 "))
   (( segid "    " and resid "66  " and name "HN  "))
      5.000     3.100     0.500 peak  2136 weight  0.10000E+01 volume -0.60200E+00 ppm1      1.618 ppm2      7.519
 ASSI { 2141}
   (( segid "    " and resid "18  " and name "HG2 "))
   (( segid "    " and resid "19  " and name "HN  "))
      5.000     3.100     0.500 peak  2141 weight  0.10000E+01 volume  0.89930E+00 ppm1      1.907 ppm2      7.549
 ASSI { 2155}
   (( segid "    " and resid "56  " and name "HG2 "))
   (( segid "    " and resid "57  " and name "HN  "))
      4.300     2.300     1.200 peak  2155 weight  0.10000E+01 volume  0.24651E+01 ppm1      2.010 ppm2      7.657
 ASSI { 2174}
   (( segid "    " and resid "11  " and name "HB2 "))
   (( segid "    " and resid "13  " and name "HN  "))
      5.000     3.100     0.500 peak  2174 weight  0.10000E+01 volume -0.65300E+00 ppm1      2.769 ppm2      7.795
 ASSI { 2177}
   (( segid "    " and resid "17  " and name "HG2 "))
   (( segid "    " and resid "17  " and name "HN  "))
      5.000     3.100     0.500 peak  2177 weight  0.10000E+01 volume -0.28000E-01 ppm1      2.429 ppm2      7.928
 OR { 2177}
   (( segid "    " and resid "17  " and name "HG1 "))
   (( segid "    " and resid "17  " and name "HN  "))
 ASSI { 2180}
   (( segid "    " and resid "68  " and name "HB  "))
   (( segid "    " and resid "69  " and name "HN  "))
      4.500     2.500     1.000 peak  2180 weight  0.10000E+01 volume  0.17621E+01 ppm1      2.245 ppm2      7.945
 ASSI { 2185}
   (( segid "    " and resid "16  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HD21"))
      5.000     3.100     0.500 peak  2185 weight  0.10000E+01 volume -0.29300E+00 ppm1      3.004 ppm2      7.552
 ASSI { 2194}
   (( segid "    " and resid "36  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HN  "))
      3.300     1.400     1.600 peak  2194 weight  0.10000E+01 volume  0.10662E+02 ppm1      3.309 ppm2      7.245
 ASSI { 2200}
   (( segid "    " and resid "35  " and name "HB2 "))
   (( segid "    " and resid "35  " and name "HN  "))
      5.000     3.100     0.500 peak  2200 weight  0.10000E+01 volume -0.71000E-01 ppm1      3.272 ppm2      7.717
 ASSI { 2224}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "35  " and name "HN  "))
      4.700     2.800     0.800 peak  2224 weight  0.10000E+01 volume  0.13470E+01 ppm1      3.978 ppm2      7.714
 ASSI { 2229}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HD21"))
      5.000     3.100     0.500 peak  2229 weight  0.10000E+01 volume -0.12000E+00 ppm1      2.801 ppm2      7.553
 ASSI { 2239}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "66  " and name "HN  "))
      5.500     3.800     0.000 peak  2239 weight  0.10000E+01 volume  0.33770E+00 ppm1      1.412 ppm2      7.509
 OR { 2239}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "66  " and name "HN  "))
 ASSI { 2240}
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HN  "))
      5.100     3.300     0.400 peak  2240 weight  0.10000E+01 volume  0.81620E+00 ppm1      1.442 ppm2      7.760
 ASSI { 2243}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HN  "))
      5.000     3.100     0.500 peak  2243 weight  0.10000E+01 volume -0.14300E+00 ppm1      0.701 ppm2      7.749
 ASSI { 2244}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "20  " and name "HD21"))
      4.800     2.900     0.700 peak  2244 weight  0.10000E+01 volume  0.12312E+01 ppm1      0.699 ppm2      7.550
 ASSI { 2247}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "15  " and name "HN  "))
      5.000     3.100     0.500 peak  2247 weight  0.10000E+01 volume -0.74400E+00 ppm1      0.732 ppm2      8.700
 ASSI { 2252}
   (( segid "    " and resid "16  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HD22"))
      4.600     2.600     0.900 peak  2252 weight  0.10000E+01 volume  0.16317E+01 ppm1      3.002 ppm2      6.954
 ASSI { 2259}
   (( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "20  " and name "HD22"))
      5.000     3.100     0.500 peak  2259 weight  0.10000E+01 volume -0.54000E+00 ppm1      2.789 ppm2      6.954
 ASSI { 2268}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "53  " and name "HA  "))
      3.500     1.500     1.700 peak  2268 weight  0.10000E+01 volume  0.84659E+01 ppm1      0.731 ppm2      5.795
 ASSI { 2269}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HA  "))
      5.500     3.800     0.000 peak  2269 weight  0.10000E+01 volume  0.27280E+00 ppm1      1.287 ppm2      5.797
 ASSI { 2276}
   (( segid "    " and resid "28  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HA  "))
      4.000     2.000     1.500 peak  2276 weight  0.10000E+01 volume  0.36175E+01 ppm1      1.969 ppm2      5.395
 ASSI { 2277}
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HA  "))
      4.700     2.800     0.800 peak  2277 weight  0.10000E+01 volume  0.13190E+01 ppm1      2.025 ppm2      5.402
 ASSI { 2280}
   (( segid "    " and resid "53  " and name "HB1 "))
   (( segid "    " and resid "53  " and name "HA  "))
      2.400     0.700     0.900 peak  2280 weight  0.10000E+01 volume  0.77109E+02 ppm1      3.282 ppm2      5.799
 ASSI { 2286}
   (( segid "    " and resid "58  " and name "HB2 "))
   (( segid "    " and resid "58  " and name "HA  "))
      2.700     0.900     1.100 peak  2286 weight  0.10000E+01 volume  0.39322E+02 ppm1      4.045 ppm2      4.495
 ASSI { 2289}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "14  " and name "HA  "))
      4.600     2.600     0.900 peak  2289 weight  0.10000E+01 volume  0.15547E+01 ppm1      3.842 ppm2      4.236
 ASSI { 2290}
   (( segid "    " and resid "31  " and name "HD2 "))
   (( segid "    " and resid "30  " and name "HA  "))
      2.900     1.100     1.300 peak  2290 weight  0.10000E+01 volume  0.26192E+02 ppm1      3.815 ppm2      4.689
 ASSI { 2294}
   (( segid "    " and resid "44  " and name "HB  "))
   (( segid "    " and resid "44  " and name "HA  "))
      2.500     0.800     1.000 peak  2294 weight  0.10000E+01 volume  0.56440E+02 ppm1      3.958 ppm2      4.811
 ASSI { 2301}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HA  "))
      3.700     1.700     1.800 peak  2301 weight  0.10000E+01 volume  0.54080E+01 ppm1      2.165 ppm2      4.812
 ASSI { 2302}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HA  "))
      3.200     1.300     1.500 peak  2302 weight  0.10000E+01 volume  0.14981E+02 ppm1      2.135 ppm2      4.222
 ASSI { 2303}
   (( segid "    " and resid "40  " and name "HB1 "))
   (( segid "    " and resid "32  " and name "HA  "))
      3.000     1.100     1.300 peak  2303 weight  0.10000E+01 volume  0.20516E+02 ppm1      2.064 ppm2      4.268
 ASSI { 2308}
   (( segid "    " and resid "66  " and name "HB2 "))
   (( segid "    " and resid "63  " and name "HA  "))
      2.500     0.800     1.000 peak  2308 weight  0.10000E+01 volume  0.62191E+02 ppm1      1.947 ppm2      4.494
 ASSI { 2313}
   (( segid "    " and resid "47  " and name "HG2 "))
   (( segid "    " and resid "47  " and name "HA  "))
      2.600     0.800     1.000 peak  2313 weight  0.10000E+01 volume  0.52689E+02 ppm1      1.680 ppm2      4.227
 ASSI { 2315}
   (( segid "    " and resid "30  " and name "HG11"))
   (( segid "    " and resid "30  " and name "HA  "))
      2.600     0.800     1.000 peak  2315 weight  0.10000E+01 volume  0.43562E+02 ppm1      1.132 ppm2      4.684
 ASSI { 2316}
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
   (( segid "    " and resid "30  " and name "HA  "))
      2.400     0.700     0.900 peak  2316 weight  0.10000E+01 volume  0.74422E+02 ppm1      1.081 ppm2      4.684
 ASSI { 2317}
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
   (( segid "    " and resid "44  " and name "HA  "))
      2.300     0.700     0.900 peak  2317 weight  0.10000E+01 volume  0.99049E+02 ppm1      1.157 ppm2      4.810
 ASSI { 2322}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "40  " and name "HA  "))
      3.700     1.700     1.800 peak  2322 weight  0.10000E+01 volume  0.55400E+01 ppm1      0.828 ppm2      4.780
 ASSI { 2325}
   (( segid "    " and resid "18  " and name "HG2 "))
   (( segid "    " and resid "18  " and name "HD1 "))
      3.200     1.300     1.500 peak  2325 weight  0.10000E+01 volume  0.13859E+02 ppm1      1.899 ppm2      3.833
 ASSI { 2327}
   (( segid "    " and resid "17  " and name "HB1 "))
   (( segid "    " and resid "18  " and name "HD2 "))
      3.200     1.300     1.500 peak  2327 weight  0.10000E+01 volume  0.14067E+02 ppm1      1.873 ppm2      3.681
 ASSI { 2342}
   (( segid "    " and resid "36  " and name "HB1 "))
   (( segid "    " and resid "9   " and name "HB1 "))
      2.400     0.700     0.900 peak  2342 weight  0.10000E+01 volume  0.79724E+02 ppm1      2.871 ppm2      2.713
 ASSI { 2348}
   (( segid "    " and resid "28  " and name "HB1 "))
   (( segid "    " and resid "28  " and name "HG1 "))
      2.000     2.000     2.500 peak  2348 weight  0.10000E+01 volume  0.20150E+03 ppm1      1.964 ppm2      2.240
 ASSI { 2352}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HG1 "))
      3.000     1.100     1.300 peak  2352 weight  0.10000E+01 volume  0.18443E+02 ppm1      2.055 ppm2      2.428
 OR { 2352}
   (( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HG2 "))
 ASSI { 2353}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "68  " and name "HB  "))
      3.700     1.700     1.800 peak  2353 weight  0.10000E+01 volume  0.53703E+01 ppm1      1.584 ppm2      2.246
 ASSI { 2358}
   (( segid "    " and resid "54  " and name "HB1 "))
   (( segid "    " and resid "14  " and name "HB  "))
      2.000     2.000     2.500 peak  2358 weight  0.10000E+01 volume  0.21708E+03 ppm1      1.451 ppm2      1.710
 ASSI { 2359}
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
   (( segid "    " and resid "30  " and name "HG12"))
      2.000     2.000     2.500 peak  2359 weight  0.10000E+01 volume  0.21378E+03 ppm1      1.077 ppm2      1.452
 ASSI { 2368}
   (( segid "    " and resid "34  " and name "HB1 "))
   (( segid "    " and resid "34  " and name "HB2 "))
      1.600     0.300     0.600 peak  2368 weight  0.10000E+01 volume  0.94498E+03 ppm1      1.782 ppm2      1.622
 ASSI { 2372}
   (( segid "    " and resid "47  " and name "HB1 "))
   (( segid "    " and resid "47  " and name "HG1 "))
      1.700     0.400     0.600 peak  2372 weight  0.10000E+01 volume  0.61405E+03 ppm1      1.916 ppm2      1.443
 ASSI { 2373}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "30  " and name "HG12"))
      1.800     0.400     0.600 peak  2373 weight  0.10000E+01 volume  0.44783E+03 ppm1      1.893 ppm2      1.446
 ASSI { 2374}
   (( segid "    " and resid "50  " and name "HB1 "))
   (( segid "    " and resid "48  " and name "HG1 "))
      2.000     2.000     2.500 peak  2374 weight  0.10000E+01 volume  0.25127E+03 ppm1      1.902 ppm2      1.468
 ASSI { 2378}
   (( segid "    " and resid "35  " and name "HB1 "))
   (( segid "    " and resid "34  " and name "HG1 "))
      4.100     2.100     1.400 peak  2378 weight  0.10000E+01 volume  0.31810E+01 ppm1      2.723 ppm2      1.694
 OR { 2378}
   (( segid "    " and resid "35  " and name "HB1 "))
   (( segid "    " and resid "34  " and name "HG2 "))
 ASSI { 2382}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HG1 "))
      2.700     0.900     1.100 peak  2382 weight  0.10000E+01 volume  0.36135E+02 ppm1      3.975 ppm2      1.701
 OR { 2382}
   (( segid "    " and resid "34  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HG2 "))
 ASSI { 2385}
   (( segid "    " and resid "64  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      3.300     1.400     1.600 peak  2385 weight  0.10000E+01 volume  0.11201E+02 ppm1      4.225 ppm2      1.558
 ASSI { 2390}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
      2.800     1.000     1.200 peak  2390 weight  0.10000E+01 volume  0.31223E+02 ppm1      3.995 ppm2      0.728
 OR { 2390}
   (( segid "    " and resid "69  " and name "HB1 "))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
 ASSI { 2392}
   (( segid "    " and resid "58  " and name "HB1 "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      2.400     0.700     0.900 peak  2392 weight  0.10000E+01 volume  0.73679E+02 ppm1      4.150 ppm2      0.761
 ASSI { 2398}
   (( segid "    " and resid "37  " and name "HD2 "))
   (( segid "    " and resid "7   " and name "HG21")
     OR 
    ( segid "    " and resid "7   " and name "HG23")
     OR 
    ( segid "    " and resid "7   " and name "HG22"))
      3.900     1.900     1.600 peak  2398 weight  0.10000E+01 volume  0.43466E+01 ppm1      3.658 ppm2      0.918
 ASSI { 2399}
   (( segid "    " and resid "37  " and name "HD1 "))
   (( segid "    " and resid "7   " and name "HG21")
     OR 
    ( segid "    " and resid "7   " and name "HG23")
     OR 
    ( segid "    " and resid "7   " and name "HG22"))
      3.500     1.500     1.700 peak  2399 weight  0.10000E+01 volume  0.80522E+01 ppm1      3.706 ppm2      0.921
 ASSI { 2410}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      1.900     1.900     2.600 peak  2410 weight  0.10000E+01 volume  0.36439E+03 ppm1      1.580 ppm2      0.873
 ASSI { 2414}
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      2.100     0.600     0.800 peak  2414 weight  0.10000E+01 volume  0.15899E+03 ppm1      1.231 ppm2      0.765
 OR { 2414}
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI { 2417}
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
      1.900     0.500     0.700 peak  2417 weight  0.10000E+01 volume  0.32148E+03 ppm1      1.052 ppm2      0.761
 OR { 2417}
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
 OR { 2417}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
 OR { 2417}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
 ASSI { 2419}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "57  " and name "HG2 "))
      2.700     0.900     1.100 peak  2419 weight  0.10000E+01 volume  0.41647E+02 ppm1      0.763 ppm2      2.668
 ASSI {    1}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "26  " and name "HA  "))
      3.700     1.700     1.800 peak     1 weight  0.10000E+01 volume  0.97980E+01 ppm1      5.411 ppm2      5.136
 ASSI {    5}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "28  " and name "HA  "))
      3.200     1.300     1.500 peak     5 weight  0.10000E+01 volume  0.22068E+02 ppm1      5.407 ppm2      4.449
 ASSI {    7}
   (( segid "    " and resid "36  " and name "HA  "))
   (( segid "    " and resid "7   " and name "HA  "))
      4.000     2.000     1.500 peak     7 weight  0.10000E+01 volume  0.56658E+01 ppm1      5.147 ppm2      4.268
 ASSI {    9}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      2.700     0.900     1.100 peak     9 weight  0.10000E+01 volume  0.57054E+02 ppm1      5.410 ppm2      3.141
 ASSI {   10}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      1.900     0.500     0.700 peak    10 weight  0.10000E+01 volume  0.55691E+03 ppm1      5.139 ppm2      3.141
 ASSI {   14}
   (( segid "    " and resid "54  " and name "HA  "))
   (( segid "    " and resid "15  " and name "HB1 "))
      3.200     1.300     1.500 peak    14 weight  0.10000E+01 volume  0.22005E+02 ppm1      5.023 ppm2      3.843
 ASSI {   15}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      3.400     1.400     1.600 peak    15 weight  0.10000E+01 volume  0.15777E+02 ppm1      4.973 ppm2      4.038
 ASSI {   16}
   (( segid "    " and resid "54  " and name "HA  "))
   (( segid "    " and resid "15  " and name "HB2 "))
      4.200     2.200     1.300 peak    16 weight  0.10000E+01 volume  0.46572E+01 ppm1      5.023 ppm2      3.990
 ASSI {   22}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "16  " and name "HB2 "))
      2.400     0.700     0.900 peak    22 weight  0.10000E+01 volume  0.11362E+03 ppm1      4.969 ppm2      3.017
 ASSI {   24}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HG  "))
      2.500     0.800     1.000 peak    24 weight  0.10000E+01 volume  0.10243E+03 ppm1      5.410 ppm2      1.305
 ASSI {   36}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "25  " and name "HB2 "))
      3.000     1.100     1.300 peak    36 weight  0.10000E+01 volume  0.31173E+02 ppm1      5.140 ppm2      1.690
 OR {   36}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "25  " and name "HB1 "))
 ASSI {   40}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "54  " and name "HG  "))
      2.600     2.600     1.900 peak    40 weight  0.10000E+01 volume  0.79717E+02 ppm1      5.025 ppm2      1.657
 ASSI {   44}
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      3.100     1.200     1.400 peak    44 weight  0.10000E+01 volume  0.28557E+02 ppm1      5.409 ppm2      0.848
 ASSI {   47}
   (( segid "    " and resid "36  " and name "HA  "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      3.200     1.300     1.500 peak    47 weight  0.10000E+01 volume  0.24254E+02 ppm1      5.148 ppm2      0.958
 ASSI {   50}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
      2.000     2.000     2.500 peak    50 weight  0.10000E+01 volume  0.41101E+03 ppm1      5.024 ppm2      0.739
 ASSI {   53}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
      3.500     1.500     1.700 peak    53 weight  0.10000E+01 volume  0.13419E+02 ppm1      4.971 ppm2      0.700
 ASSI {   59}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HG11"))
      3.900     1.900     1.600 peak    59 weight  0.10000E+01 volume  0.72954E+01 ppm1      4.968 ppm2      1.640
 ASSI {   60}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "17  " and name "HG2 "))
      3.800     1.800     1.700 peak    60 weight  0.10000E+01 volume  0.83531E+01 ppm1      4.970 ppm2      2.426
 OR {   60}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "17  " and name "HG1 "))
 ASSI {   61}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HB1 "))
      4.400     2.400     1.100 peak    61 weight  0.10000E+01 volume  0.31638E+01 ppm1      5.139 ppm2      1.218
 ASSI {   62}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      4.500     2.500     1.000 peak    62 weight  0.10000E+01 volume  0.27133E+01 ppm1      5.139 ppm2      0.765
 OR {   62}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI {   71}
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "44  " and name "HB  "))
      4.000     2.000     1.500 peak    71 weight  0.10000E+01 volume  0.57387E+01 ppm1      5.138 ppm2      3.951
 ASSI {   76}
   (( segid "    " and resid "45  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HA  "))
      2.200     0.600     0.800 peak    76 weight  0.10000E+01 volume  0.23895E+03 ppm1      4.916 ppm2      4.433
 ASSI {   79}
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "19  " and name "HA  "))
      2.900     2.900     1.600 peak    79 weight  0.10000E+01 volume  0.37943E+02 ppm1      4.920 ppm2      4.263
 ASSI {   83}
   (( segid "    " and resid "37  " and name "HA  "))
   (( segid "    " and resid "37  " and name "HD2 "))
      3.600     1.600     1.800 peak    83 weight  0.10000E+01 volume  0.10679E+02 ppm1      4.865 ppm2      3.664
 ASSI {   85}
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HD1 "))
      2.000     0.500     0.700 peak    85 weight  0.10000E+01 volume  0.38778E+03 ppm1      4.589 ppm2      3.833
 ASSI {   97}
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HG1 "))
      2.800     1.000     1.200 peak    97 weight  0.10000E+01 volume  0.53555E+02 ppm1      4.928 ppm2      1.941
 OR {   97}
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HG2 "))
 ASSI {  101}
   (( segid "    " and resid "45  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      4.200     2.200     1.300 peak   101 weight  0.10000E+01 volume  0.46334E+01 ppm1      4.925 ppm2      1.299
 ASSI {  103}
   (( segid "    " and resid "37  " and name "HA  "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      2.700     0.900     1.100 peak   103 weight  0.10000E+01 volume  0.61385E+02 ppm1      4.864 ppm2      1.169
 ASSI {  106}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HB2 "))
      2.800     2.800     1.700 peak   106 weight  0.10000E+01 volume  0.54847E+02 ppm1      4.847 ppm2      1.910
 ASSI {  116}
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      3.000     1.100     1.300 peak   116 weight  0.10000E+01 volume  0.29789E+02 ppm1      4.746 ppm2      1.169
 ASSI {  120}
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "17  " and name "HB1 "))
      2.600     0.800     1.000 peak   120 weight  0.10000E+01 volume  0.82307E+02 ppm1      4.589 ppm2      1.872
 ASSI {  121}
   (( segid "    " and resid "52  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HB2 "))
      2.400     0.700     0.900 peak   121 weight  0.10000E+01 volume  0.11012E+03 ppm1      4.643 ppm2      1.740
 ASSI {  122}
   (( segid "    " and resid "52  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HB1 "))
      2.600     0.800     1.000 peak   122 weight  0.10000E+01 volume  0.72384E+02 ppm1      4.636 ppm2      1.609
 ASSI {  123}
   (( segid "    " and resid "42  " and name "HA  "))
   (( segid "    " and resid "54  " and name "HG  "))
      4.100     2.100     1.400 peak   123 weight  0.10000E+01 volume  0.48336E+01 ppm1      4.582 ppm2      1.649
 ASSI {  128}
   (( segid "    " and resid "52  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      3.400     1.400     1.600 peak   128 weight  0.10000E+01 volume  0.16621E+02 ppm1      4.643 ppm2      1.298
 ASSI {  134}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      4.500     2.500     1.000 peak   134 weight  0.10000E+01 volume  0.28551E+01 ppm1      4.860 ppm2      0.869
 ASSI {  135}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      3.800     1.800     1.700 peak   135 weight  0.10000E+01 volume  0.75803E+01 ppm1      4.861 ppm2      0.827
 OR {  135}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 ASSI {  137}
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
      2.400     0.700     0.900 peak   137 weight  0.10000E+01 volume  0.12371E+03 ppm1      4.860 ppm2      0.725
 ASSI {  141}
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
      3.700     1.700     1.800 peak   141 weight  0.10000E+01 volume  0.89496E+01 ppm1      4.746 ppm2      1.057
 OR {  141}
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
 ASSI {  152}
   (( segid "    " and resid "13  " and name "HA  "))
   (( segid "    " and resid "12  " and name "HA  "))
      3.700     1.700     1.800 peak   152 weight  0.10000E+01 volume  0.90871E+01 ppm1      4.619 ppm2      4.108
 ASSI {  164}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HA  "))
      3.600     1.600     1.800 peak   164 weight  0.10000E+01 volume  0.10984E+02 ppm1      4.542 ppm2      4.229
 ASSI {  172}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HD2 "))
      3.400     1.400     1.600 peak   172 weight  0.10000E+01 volume  0.16566E+02 ppm1      4.316 ppm2      3.688
 ASSI {  181}
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      2.900     1.100     1.300 peak   181 weight  0.10000E+01 volume  0.36851E+02 ppm1      4.454 ppm2      3.141
 ASSI {  190}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "11  " and name "HB2 "))
      3.200     1.300     1.500 peak   190 weight  0.10000E+01 volume  0.23876E+02 ppm1      4.234 ppm2      2.753
 ASSI {  212}
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "28  " and name "HB1 "))
      2.400     0.700     0.900 peak   212 weight  0.10000E+01 volume  0.12111E+03 ppm1      4.454 ppm2      1.976
 ASSI {  215}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HB2 "))
      3.100     1.200     1.400 peak   215 weight  0.10000E+01 volume  0.26868E+02 ppm1      4.434 ppm2      1.893
 ASSI {  217}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HB1 "))
      3.900     1.900     1.600 peak   217 weight  0.10000E+01 volume  0.72331E+01 ppm1      4.541 ppm2      1.941
 ASSI {  219}
   (( segid "    " and resid "58  " and name "HA  "))
   (( segid "    " and resid "57  " and name "HB2 "))
      3.600     1.600     1.800 peak   219 weight  0.10000E+01 volume  0.10099E+02 ppm1      4.497 ppm2      1.832
 ASSI {  221}
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HG2 "))
      2.400     0.700     0.900 peak   221 weight  0.10000E+01 volume  0.11818E+03 ppm1      4.539 ppm2      1.669
 ASSI {  222}
   (( segid "    " and resid "63  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HB1 "))
      3.400     1.400     1.600 peak   222 weight  0.10000E+01 volume  0.16174E+02 ppm1      4.503 ppm2      1.625
 ASSI {  224}
   (( segid "    " and resid "58  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HG12"))
      3.700     1.700     1.800 peak   224 weight  0.10000E+01 volume  0.93480E+01 ppm1      4.502 ppm2      1.497
 ASSI {  235}
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HB  "))
      3.800     1.800     1.700 peak   235 weight  0.10000E+01 volume  0.73836E+01 ppm1      4.454 ppm2      1.830
 ASSI {  243}
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HB  "))
      5.000     3.100     0.500 peak   243 weight  0.10000E+01 volume -0.77530E+02 ppm1      4.261 ppm2      2.252
 ASSI {  245}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HG1 "))
      3.000     1.100     1.300 peak   245 weight  0.10000E+01 volume  0.29784E+02 ppm1      4.316 ppm2      1.990
 ASSI {  247}
   (( segid "    " and resid "47  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HB1 "))
      2.500     0.800     1.000 peak   247 weight  0.10000E+01 volume  0.97558E+02 ppm1      4.237 ppm2      1.933
 ASSI {  248}
   (( segid "    " and resid "39  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HG1 "))
      2.400     2.400     2.100 peak   248 weight  0.10000E+01 volume  0.12148E+03 ppm1      4.233 ppm2      2.081
 ASSI {  270}
   (( segid "    " and resid "58  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      3.200     1.300     1.500 peak   270 weight  0.10000E+01 volume  0.21228E+02 ppm1      4.503 ppm2      0.767
 ASSI {  277}
   (( segid "    " and resid "69  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
      3.300     1.400     1.600 peak   277 weight  0.10000E+01 volume  0.20171E+02 ppm1      4.351 ppm2      0.975
 ASSI {  279}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      2.400     0.700     0.900 peak   279 weight  0.10000E+01 volume  0.12065E+03 ppm1      4.267 ppm2      0.767
 ASSI {  291}
   (( segid "    " and resid "13  " and name "HA  "))
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
      3.100     1.200     1.400 peak   291 weight  0.10000E+01 volume  0.26307E+02 ppm1      4.619 ppm2      0.945
 ASSI {  300}
   (( segid "    " and resid "58  " and name "HB1 "))
   (( segid "    " and resid "16  " and name "HA  "))
      3.500     1.500     1.700 peak   300 weight  0.10000E+01 volume  0.12797E+02 ppm1      4.136 ppm2      4.969
 ASSI {  308}
   (( segid "    " and resid "56  " and name "HD1 "))
   (( segid "    " and resid "55  " and name "HA  "))
      2.600     0.800     1.000 peak   308 weight  0.10000E+01 volume  0.75299E+02 ppm1      3.971 ppm2      4.675
 OR {  308}
   (( segid "    " and resid "56  " and name "HD2 "))
   (( segid "    " and resid "55  " and name "HA  "))
 ASSI {  326}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HD2 "))
      1.700     0.400     0.600 peak   326 weight  0.10000E+01 volume  0.95964E+03 ppm1      3.898 ppm2      4.012
 ASSI {  328}
   (( segid "    " and resid "69  " and name "HB1 "))
   (( segid "    " and resid "66  " and name "HA  "))
      2.700     0.900     1.100 peak   328 weight  0.10000E+01 volume  0.56291E+02 ppm1      4.000 ppm2      4.118
 OR {  328}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "66  " and name "HA  "))
 ASSI {  329}
   (( segid "    " and resid "31  " and name "HD1 "))
   (( segid "    " and resid "32  " and name "HA  "))
      3.300     1.400     1.600 peak   329 weight  0.10000E+01 volume  0.19164E+02 ppm1      4.051 ppm2      4.263
 ASSI {  344}
   (( segid "    " and resid "58  " and name "HB1 "))
   (( segid "    " and resid "16  " and name "HB2 "))
      3.600     1.600     1.800 peak   344 weight  0.10000E+01 volume  0.11253E+02 ppm1      4.132 ppm2      3.014
 ASSI {  357}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HB  "))
      2.700     0.900     1.100 peak   357 weight  0.10000E+01 volume  0.60104E+02 ppm1      3.907 ppm2      2.252
 ASSI {  360}
   (( segid "    " and resid "21  " and name "HD1 "))
   (( segid "    " and resid "20  " and name "HB1 "))
      4.000     2.000     1.500 peak   360 weight  0.10000E+01 volume  0.60538E+01 ppm1      3.891 ppm2      2.908
 ASSI {  379}
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HB1 "))
      2.900     1.100     1.300 peak   379 weight  0.10000E+01 volume  0.37929E+02 ppm1      4.121 ppm2      1.624
 ASSI {  380}
   (( segid "    " and resid "58  " and name "HB1 "))
   (( segid "    " and resid "61  " and name "HG12"))
      3.000     1.100     1.300 peak   380 weight  0.10000E+01 volume  0.33279E+02 ppm1      4.130 ppm2      1.498
 ASSI {  390}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HB1 "))
      2.100     0.600     0.800 peak   390 weight  0.10000E+01 volume  0.30200E+03 ppm1      4.047 ppm2      1.684
 ASSI {  396}
   (( segid "    " and resid "56  " and name "HD1 "))
   (( segid "    " and resid "56  " and name "HG1 "))
      2.300     0.700     0.900 peak   396 weight  0.10000E+01 volume  0.15264E+03 ppm1      3.973 ppm2      2.085
 OR {  396}
   (( segid "    " and resid "56  " and name "HD2 "))
   (( segid "    " and resid "56  " and name "HG1 "))
 ASSI {  406}
   (( segid "    " and resid "56  " and name "HD2 "))
   (( segid "    " and resid "54  " and name "HB2 "))
      3.000     1.100     1.300 peak   406 weight  0.10000E+01 volume  0.32619E+02 ppm1      3.951 ppm2      1.445
 OR {  406}
   (( segid "    " and resid "56  " and name "HD1 "))
   (( segid "    " and resid "54  " and name "HB2 "))
 ASSI {  421}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "54  " and name "HB1 "))
      3.200     1.300     1.500 peak   421 weight  0.10000E+01 volume  0.20788E+02 ppm1      3.830 ppm2      1.443
 ASSI {  423}
   (( segid "    " and resid "31  " and name "HD1 "))
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
      2.700     0.900     1.100 peak   423 weight  0.10000E+01 volume  0.55217E+02 ppm1      4.049 ppm2      1.084
 ASSI {  425}
   (( segid "    " and resid "68  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
      2.500     0.800     1.000 peak   425 weight  0.10000E+01 volume  0.10470E+03 ppm1      4.130 ppm2      0.980
 ASSI {  452}
   (( segid "    " and resid "69  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      4.300     2.300     1.200 peak   452 weight  0.10000E+01 volume  0.39930E+01 ppm1      4.005 ppm2      0.994
 OR {  452}
   (( segid "    " and resid "69  " and name "HB1 "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
 ASSI {  455}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "52  " and name "HB2 "))
      4.400     2.400     1.100 peak   455 weight  0.10000E+01 volume  0.32498E+01 ppm1      3.843 ppm2      1.736
 ASSI {  456}
   (( segid "    " and resid "58  " and name "HB1 "))
   (( segid "    " and resid "61  " and name "HG11"))
      2.800     1.000     1.200 peak   456 weight  0.10000E+01 volume  0.54871E+02 ppm1      4.133 ppm2      1.635
 ASSI {  460}
   (( segid "    " and resid "56  " and name "HA  "))
   (( segid "    " and resid "16  " and name "HB2 "))
      4.500     2.500     1.000 peak   460 weight  0.10000E+01 volume  0.28867E+01 ppm1      4.182 ppm2      2.998
 ASSI {  461}
   (( segid "    " and resid "58  " and name "HB2 "))
   (( segid "    " and resid "16  " and name "HB2 "))
      4.500     2.500     1.000 peak   461 weight  0.10000E+01 volume  0.27555E+01 ppm1      4.049 ppm2      3.003
 ASSI {  465}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HB1 "))
      3.900     1.900     1.600 peak   465 weight  0.10000E+01 volume  0.66459E+01 ppm1      3.904 ppm2      2.914
 ASSI {  470}
   (( segid "    " and resid "37  " and name "HD1 "))
   (( segid "    " and resid "37  " and name "HA  "))
      3.300     1.400     1.600 peak   470 weight  0.10000E+01 volume  0.19001E+02 ppm1      3.712 ppm2      4.866
 ASSI {  472}
   (( segid "    " and resid "18  " and name "HD2 "))
   (( segid "    " and resid "17  " and name "HA  "))
      2.200     0.600     0.800 peak   472 weight  0.10000E+01 volume  0.23095E+03 ppm1      3.690 ppm2      4.589
 ASSI {  474}
   (( segid "    " and resid "13  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HA  "))
      5.100     3.300     0.400 peak   474 weight  0.10000E+01 volume  0.13332E+01 ppm1      3.794 ppm2      4.238
 OR {  474}
   (( segid "    " and resid "13  " and name "HB1 "))
   (( segid "    " and resid "14  " and name "HA  "))
 ASSI {  488}
   (( segid "    " and resid "37  " and name "HD1 "))
   (( segid "    " and resid "7   " and name "HB  "))
      2.400     0.700     0.900 peak   488 weight  0.10000E+01 volume  0.13978E+03 ppm1      3.708 ppm2      2.067
 ASSI {  490}
   (( segid "    " and resid "37  " and name "HD2 "))
   (( segid "    " and resid "7   " and name "HB  "))
      3.300     1.400     1.600 peak   490 weight  0.10000E+01 volume  0.16970E+02 ppm1      3.663 ppm2      2.069
 ASSI {  493}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "21  " and name "HG1 "))
      4.600     2.600     0.900 peak   493 weight  0.10000E+01 volume  0.25797E+01 ppm1      3.830 ppm2      1.921
 OR {  493}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "21  " and name "HG2 "))
 ASSI {  498}
   (( segid "    " and resid "37  " and name "HD1 "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      4.800     2.900     0.700 peak   498 weight  0.10000E+01 volume  0.19129E+01 ppm1      3.710 ppm2      1.174
 ASSI {  565}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "61  " and name "HA  "))
      3.500     1.500     1.700 peak   565 weight  0.10000E+01 volume  0.12868E+02 ppm1      2.805 ppm2      3.896
 ASSI {  610}
   (( segid "    " and resid "20  " and name "HB1 "))
   (( segid "    " and resid "21  " and name "HB1 "))
      3.600     1.600     1.800 peak   610 weight  0.10000E+01 volume  0.11872E+02 ppm1      2.934 ppm2      2.141
 OR {  610}
   (( segid "    " and resid "20  " and name "HB1 "))
   (( segid "    " and resid "21  " and name "HB2 "))
 ASSI {  616}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      3.700     1.700     1.800 peak   616 weight  0.10000E+01 volume  0.94803E+01 ppm1      3.141 ppm2      0.848
 ASSI {  617}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      2.900     1.100     1.300 peak   617 weight  0.10000E+01 volume  0.38242E+02 ppm1      3.142 ppm2      0.773
 OR {  617}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI {  659}
   (( segid "    " and resid "40  " and name "HG2 "))
   (( segid "    " and resid "40  " and name "HA  "))
      2.400     0.700     0.900 peak   659 weight  0.10000E+01 volume  0.11047E+03 ppm1      2.546 ppm2      4.778
 OR {  659}
   (( segid "    " and resid "40  " and name "HG1 "))
   (( segid "    " and resid "40  " and name "HA  "))
 ASSI {  675}
   (( segid "    " and resid "17  " and name "HG1 "))
   (( segid "    " and resid "18  " and name "HD2 "))
      3.100     1.200     1.400 peak   675 weight  0.10000E+01 volume  0.25738E+02 ppm1      2.426 ppm2      3.688
 ASSI {  681}
   (( segid "    " and resid "40  " and name "HG2 "))
   (( segid "    " and resid "36  " and name "HB2 "))
      4.100     2.100     1.400 peak   681 weight  0.10000E+01 volume  0.52064E+01 ppm1      2.551 ppm2      3.309
 OR {  681}
   (( segid "    " and resid "40  " and name "HG1 "))
   (( segid "    " and resid "36  " and name "HB2 "))
 ASSI {  708}
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      4.500     2.500     1.000 peak   708 weight  0.10000E+01 volume  0.28130E+01 ppm1      2.511 ppm2      1.296
 OR {  708}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
 ASSI {  716}
   (( segid "    " and resid "17  " and name "HG2 "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
      2.100     0.600     0.800 peak   716 weight  0.10000E+01 volume  0.28626E+03 ppm1      2.427 ppm2      0.762
 OR {  716}
   (( segid "    " and resid "17  " and name "HG1 "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 ASSI {  726}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HA  "))
      2.400     0.700     0.900 peak   726 weight  0.10000E+01 volume  0.13456E+03 ppm1      2.174 ppm2      4.921
 ASSI {  731}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HA  "))
      2.600     0.800     1.000 peak   731 weight  0.10000E+01 volume  0.70208E+02 ppm1      2.080 ppm2      4.588
 ASSI {  738}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HA  "))
      2.300     0.700     0.900 peak   738 weight  0.10000E+01 volume  0.18083E+03 ppm1      1.906 ppm2      4.778
 ASSI {  756}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "56  " and name "HA  "))
      2.800     2.800     1.700 peak   756 weight  0.10000E+01 volume  0.51510E+02 ppm1      2.062 ppm2      4.171
 OR {  756}
   (( segid "    " and resid "64  " and name "HB1 "))
   (( segid "    " and resid "56  " and name "HA  "))
 ASSI {  779}
   (( segid "    " and resid "68  " and name "HB  "))
   (( segid "    " and resid "69  " and name "HB1 "))
      3.900     1.900     1.600 peak   779 weight  0.10000E+01 volume  0.72246E+01 ppm1      2.252 ppm2      4.014
 OR {  779}
   (( segid "    " and resid "68  " and name "HB  "))
   (( segid "    " and resid "69  " and name "HB2 "))
 ASSI {  784}
   (( segid "    " and resid "18  " and name "HB1 "))
   (( segid "    " and resid "18  " and name "HD1 "))
      2.900     1.100     1.300 peak   784 weight  0.10000E+01 volume  0.37619E+02 ppm1      2.187 ppm2      3.832
 ASSI {  785}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "31  " and name "HD1 "))
      2.200     0.600     0.800 peak   785 weight  0.10000E+01 volume  0.20524E+03 ppm1      2.142 ppm2      4.027
 ASSI {  839}
   (( segid "    " and resid "17  " and name "HB1 "))
   (( segid "    " and resid "17  " and name "HG2 "))
      2.200     0.600     0.800 peak   839 weight  0.10000E+01 volume  0.20001E+03 ppm1      1.877 ppm2      2.424
 OR {  839}
   (( segid "    " and resid "17  " and name "HB1 "))
   (( segid "    " and resid "17  " and name "HG1 "))
 ASSI {  848}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HB2 "))
      2.000     0.500     0.700 peak   848 weight  0.10000E+01 volume  0.39340E+03 ppm1      2.144 ppm2      1.688
 OR {  848}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "24  " and name "HB2 "))
 ASSI {  850}
   (( segid "    " and resid "28  " and name "HG2 "))
   (( segid "    " and resid "30  " and name "HG12"))
      2.100     2.100     2.400 peak   850 weight  0.10000E+01 volume  0.25923E+03 ppm1      2.149 ppm2      1.462
 ASSI {  851}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      3.400     1.400     1.600 peak   851 weight  0.10000E+01 volume  0.14732E+02 ppm1      2.142 ppm2      1.565
 OR {  851}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
 ASSI {  852}
   (( segid "    " and resid "68  " and name "HB  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      3.000     1.100     1.300 peak   852 weight  0.10000E+01 volume  0.34971E+02 ppm1      2.250 ppm2      1.567
 ASSI {  853}
   (( segid "    " and resid "45  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      2.300     2.300     2.200 peak   853 weight  0.10000E+01 volume  0.17049E+03 ppm1      2.148 ppm2      1.153
 ASSI {  855}
   (( segid "    " and resid "40  " and name "HB1 "))
   (( segid "    " and resid "30  " and name "HG12"))
      2.700     0.900     1.100 peak   855 weight  0.10000E+01 volume  0.57464E+02 ppm1      2.071 ppm2      1.464
 ASSI {  857}
   (( segid "    " and resid "56  " and name "HG2 "))
   (( segid "    " and resid "64  " and name "HG  "))
      2.500     2.500     2.000 peak   857 weight  0.10000E+01 volume  0.10482E+03 ppm1      1.999 ppm2      1.578
 ASSI {  873}
   (( segid "    " and resid "68  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      3.500     1.500     1.700 peak   873 weight  0.10000E+01 volume  0.13704E+02 ppm1      2.252 ppm2      0.847
 ASSI {  878}
   (( segid "    " and resid "28  " and name "HG2 "))
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
      2.100     2.100     2.400 peak   878 weight  0.10000E+01 volume  0.27357E+03 ppm1      2.152 ppm2      1.084
 ASSI {  879}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      2.200     0.600     0.800 peak   879 weight  0.10000E+01 volume  0.19907E+03 ppm1      2.149 ppm2      0.837
 ASSI {  880}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      2.300     0.700     0.900 peak   880 weight  0.10000E+01 volume  0.14423E+03 ppm1      2.137 ppm2      0.769
 OR {  880}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 OR {  880}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI {  883}
   (( segid "    " and resid "56  " and name "HG1 "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      2.200     0.600     0.800 peak   883 weight  0.10000E+01 volume  0.23249E+03 ppm1      2.080 ppm2      0.842
 ASSI {  886}
   (( segid "    " and resid "40  " and name "HB1 "))
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
      2.800     1.000     1.200 peak   886 weight  0.10000E+01 volume  0.54724E+02 ppm1      2.069 ppm2      1.084
 ASSI {  889}
   (( segid "    " and resid "56  " and name "HG2 "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      3.000     1.100     1.300 peak   889 weight  0.10000E+01 volume  0.31562E+02 ppm1      2.022 ppm2      0.835
 ASSI {  896}
   (( segid "    " and resid "21  " and name "HG1 "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      2.300     0.700     0.900 peak   896 weight  0.10000E+01 volume  0.18269E+03 ppm1      1.917 ppm2      0.843
 ASSI {  927}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HA  "))
      2.600     0.800     1.000 peak   927 weight  0.10000E+01 volume  0.73434E+02 ppm1      1.751 ppm2      4.677
 ASSI {  936}
   (( segid "    " and resid "52  " and name "HB1 "))
   (( segid "    " and resid "44  " and name "HA  "))
      3.500     1.500     1.700 peak   936 weight  0.10000E+01 volume  0.13828E+02 ppm1      1.608 ppm2      4.816
 ASSI {  939}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HA  "))
      2.500     0.800     1.000 peak   939 weight  0.10000E+01 volume  0.96294E+02 ppm1      1.460 ppm2      4.852
 ASSI {  947}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HA  "))
      4.000     2.000     1.500 peak   947 weight  0.10000E+01 volume  0.57438E+01 ppm1      1.729 ppm2      4.818
 ASSI {  948}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HA  "))
      4.700     2.800     0.800 peak   948 weight  0.10000E+01 volume  0.22340E+01 ppm1      1.697 ppm2      4.814
 OR {  948}
   (( segid "    " and resid "25  " and name "HB1 "))
   (( segid "    " and resid "44  " and name "HA  "))
 ASSI {  955}
   (( segid "    " and resid "48  " and name "HB1 "))
   (( segid "    " and resid "47  " and name "HA  "))
      2.800     2.800     1.700 peak   955 weight  0.10000E+01 volume  0.44468E+02 ppm1      1.696 ppm2      4.234
 ASSI {  958}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "64  " and name "HA  "))
      2.400     0.700     0.900 peak   958 weight  0.10000E+01 volume  0.13191E+03 ppm1      1.597 ppm2      4.233
 ASSI {  971}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "15  " and name "HB2 "))
      3.300     1.400     1.600 peak   971 weight  0.10000E+01 volume  0.18344E+02 ppm1      1.737 ppm2      3.995
 ASSI {  973}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HB  "))
      2.200     0.600     0.800 peak   973 weight  0.10000E+01 volume  0.22450E+03 ppm1      1.687 ppm2      3.952
 ASSI {  988}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      3.600     1.600     1.800 peak   988 weight  0.10000E+01 volume  0.11303E+02 ppm1      1.695 ppm2      3.136
 OR {  988}
   (( segid "    " and resid "25  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
 ASSI {  999}
   (( segid "    " and resid "14  " and name "HB  "))
   (( segid "    " and resid "16  " and name "HB2 "))
      2.100     2.100     2.400 peak   999 weight  0.10000E+01 volume  0.25788E+03 ppm1      1.723 ppm2      3.015
 ASSI { 1009}
   (( segid "    " and resid "61  " and name "HG12"))
   (( segid "    " and resid "16  " and name "HB2 "))
      3.500     1.500     1.700 peak  1009 weight  0.10000E+01 volume  0.13918E+02 ppm1      1.500 ppm2      3.011
 ASSI { 1014}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HB  "))
      4.800     2.900     0.700 peak  1014 weight  0.10000E+01 volume  0.20263E+01 ppm1      1.689 ppm2      2.239
 OR { 1014}
   (( segid "    " and resid "24  " and name "HB1 "))
   (( segid "    " and resid "68  " and name "HB  "))
 ASSI { 1022}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "21  " and name "HG1 "))
      2.400     0.700     0.900 peak  1022 weight  0.10000E+01 volume  0.12761E+03 ppm1      1.595 ppm2      1.919
 OR { 1022}
   (( segid "    " and resid "64  " and name "HG  "))
   (( segid "    " and resid "21  " and name "HG2 "))
 ASSI { 1032}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "26  " and name "HG2 "))
      1.600     0.300     0.600 peak  1032 weight  0.10000E+01 volume  0.16565E+04 ppm1      1.699 ppm2      1.398
 ASSI { 1043}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "27  " and name "HB1 "))
      1.800     0.400     0.600 peak  1043 weight  0.10000E+01 volume  0.75713E+03 ppm1      1.409 ppm2      1.229
 OR { 1043}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "27  " and name "HB1 "))
 ASSI { 1046}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      2.100     0.600     0.800 peak  1046 weight  0.10000E+01 volume  0.27742E+03 ppm1      1.754 ppm2      0.866
 ASSI { 1077}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HA  "))
      4.100     2.100     1.400 peak  1077 weight  0.10000E+01 volume  0.50185E+01 ppm1      1.303 ppm2      4.821
 ASSI { 1088}
   (( segid "    " and resid "41  " and name "HG11"))
   (( segid "    " and resid "41  " and name "HA  "))
      2.800     1.000     1.200 peak  1088 weight  0.10000E+01 volume  0.47542E+02 ppm1      1.047 ppm2      4.852
 OR { 1088}
   (( segid "    " and resid "41  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HA  "))
 ASSI { 1138}
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
      3.500     1.500     1.700 peak  1138 weight  0.10000E+01 volume  0.12739E+02 ppm1      1.303 ppm2      0.984
 ASSI { 1141}
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
      2.700     0.900     1.100 peak  1141 weight  0.10000E+01 volume  0.58173E+02 ppm1      1.223 ppm2      0.983
 ASSI { 1145}
   (( segid "    " and resid "42  " and name "HG12"))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
      2.000     0.500     0.700 peak  1145 weight  0.10000E+01 volume  0.42116E+03 ppm1      1.110 ppm2      0.759
 OR { 1145}
   (( segid "    " and resid "42  " and name "HG11"))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
 ASSI { 1146}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
      2.200     0.600     0.800 peak  1146 weight  0.10000E+01 volume  0.19887E+03 ppm1      1.048 ppm2      0.736
 OR { 1146}
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
 ASSI { 1156}
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
   (( segid "    " and resid "27  " and name "HA  "))
      3.900     1.900     1.600 peak  1156 weight  0.10000E+01 volume  0.66407E+01 ppm1      0.736 ppm2      5.408
 ASSI { 1158}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "43  " and name "HA  "))
      3.500     1.500     1.700 peak  1158 weight  0.10000E+01 volume  0.13955E+02 ppm1      0.844 ppm2      5.027
 ASSI { 1182}
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
   (( segid "    " and resid "32  " and name "HA  "))
      4.000     2.000     1.500 peak  1182 weight  0.10000E+01 volume  0.60117E+01 ppm1      1.083 ppm2      4.277
 ASSI { 1188}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "56  " and name "HA  "))
      3.300     1.400     1.600 peak  1188 weight  0.10000E+01 volume  0.19991E+02 ppm1      0.835 ppm2      4.182
 OR { 1188}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "56  " and name "HA  "))
 ASSI { 1192}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "18  " and name "HA  "))
      3.000     1.100     1.300 peak  1192 weight  0.10000E+01 volume  0.32020E+02 ppm1      0.767 ppm2      4.310
 OR { 1192}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "18  " and name "HA  "))
 ASSI { 1195}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "56  " and name "HA  "))
      3.200     1.300     1.500 peak  1195 weight  0.10000E+01 volume  0.22185E+02 ppm1      0.699 ppm2      4.181
 ASSI { 1196}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HA  "))
      3.900     1.900     1.600 peak  1196 weight  0.10000E+01 volume  0.69707E+01 ppm1      0.705 ppm2      4.233
 ASSI { 1197}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "58  " and name "HB1 "))
      3.500     1.500     1.700 peak  1197 weight  0.10000E+01 volume  0.13323E+02 ppm1      0.700 ppm2      4.135
 ASSI { 1200}
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
   (( segid "    " and resid "65  " and name "HA  "))
      3.600     1.600     1.800 peak  1200 weight  0.10000E+01 volume  0.10281E+02 ppm1      0.971 ppm2      3.910
 ASSI { 1202}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
      4.000     2.000     1.500 peak  1202 weight  0.10000E+01 volume  0.62454E+01 ppm1      1.002 ppm2      3.140
 ASSI { 1219}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "15  " and name "HB1 "))
      4.000     2.000     1.500 peak  1219 weight  0.10000E+01 volume  0.61065E+01 ppm1      0.700 ppm2      3.840
 ASSI { 1223}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "23  " and name "HB1 "))
      2.600     0.800     1.000 peak  1223 weight  0.10000E+01 volume  0.83740E+02 ppm1      0.767 ppm2      3.980
 OR { 1223}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "23  " and name "HB2 "))
 OR { 1223}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "23  " and name "HB2 "))
 ASSI { 1247}
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
   (( segid "    " and resid "56  " and name "HG1 "))
      3.800     1.800     1.700 peak  1247 weight  0.10000E+01 volume  0.83326E+01 ppm1      0.999 ppm2      2.094
 ASSI { 1253}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "56  " and name "HG1 "))
      2.900     1.100     1.300 peak  1253 weight  0.10000E+01 volume  0.42917E+02 ppm1      0.700 ppm2      2.075
 ASSI { 1292}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "19  " and name "HB  "))
      1.700     0.400     0.600 peak  1292 weight  0.10000E+01 volume  0.10006E+04 ppm1      0.768 ppm2      1.870
 OR { 1292}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "19  " and name "HB  "))
 ASSI { 1306}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "27  " and name "HB1 "))
      3.800     1.800     1.700 peak  1306 weight  0.10000E+01 volume  0.81969E+01 ppm1      0.725 ppm2      1.224
 ASSI { 1307}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      2.200     0.600     0.800 peak  1307 weight  0.10000E+01 volume  0.18921E+03 ppm1      0.733 ppm2      1.301
 ASSI { 1308}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      3.700     1.700     1.800 peak  1308 weight  0.10000E+01 volume  0.98633E+01 ppm1      0.699 ppm2      1.302
 ASSI { 1312}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "54  " and name "HB1 "))
      2.300     0.700     0.900 peak  1312 weight  0.10000E+01 volume  0.17439E+03 ppm1      0.701 ppm2      1.451
 OR { 1312}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "54  " and name "HB2 "))
 ASSI { 1320}
   (( segid "    " and resid "29  " and name "HG11"))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
      1.800     0.400     0.600 peak  1320 weight  0.10000E+01 volume  0.67488E+03 ppm1      0.954 ppm2      0.742
 OR { 1320}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
 ASSI { 1325}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "11  " and name "HB1 "))
      2.500     2.500     2.000 peak  1325 weight  0.10000E+01 volume  0.90007E+02 ppm1      5.814 ppm2      3.293
 ASSI { 1332}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HG11"))
      3.900     1.900     1.600 peak  1332 weight  0.10000E+01 volume  0.71504E+01 ppm1      5.814 ppm2      1.110
 OR { 1332}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HG12"))
 ASSI { 1333}
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
      2.700     0.900     1.100 peak  1333 weight  0.10000E+01 volume  0.67123E+02 ppm1      5.814 ppm2      0.761
 ASSI { 1348}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "7   " and name "HB  "))
      4.900     3.000     0.600 peak  1348 weight  0.10000E+01 volume  0.16784E+01 ppm1      7.273 ppm2      2.080
 ASSI { 1349}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "34  " and name "HB1 "))
      4.500     2.500     1.000 peak  1349 weight  0.10000E+01 volume  0.28319E+01 ppm1      7.271 ppm2      1.780
 ASSI { 1356}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      5.500     3.800     0.000 peak  1356 weight  0.10000E+01 volume  0.37420E+00 ppm1      7.380 ppm2      0.955
 ASSI { 1360}
   (( segid "    " and resid "9   " and name "HB1 "))
   (( segid "    " and resid "10  " and name "HB  "))
      4.000     2.000     1.500 peak  1360 weight  0.10000E+01 volume  0.61429E+01 ppm1      2.696 ppm2      4.154
 ASSI { 1372}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
      1.900     0.500     0.700 peak  1372 weight  0.10000E+01 volume  0.55115E+03 ppm1      0.699 ppm2      0.844
 OR { 1372}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
 ASSI { 1378}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
      2.000     0.500     0.700 peak  1378 weight  0.10000E+01 volume  0.41293E+03 ppm1      0.827 ppm2      1.055
 OR { 1378}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
 ASSI { 1386}
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "65  " and name "HA  "))
      2.800     2.800     1.700 peak  1386 weight  0.10000E+01 volume  0.45190E+02 ppm1      1.739 ppm2      3.910
 ASSI { 1390}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "56  " and name "HD2 "))
      3.100     1.200     1.400 peak  1390 weight  0.10000E+01 volume  0.26824E+02 ppm1      2.046 ppm2      3.973
 OR { 1390}
   (( segid "    " and resid "64  " and name "HB2 "))
   (( segid "    " and resid "56  " and name "HD1 "))
 OR { 1390}
   (( segid "    " and resid "64  " and name "HB1 "))
   (( segid "    " and resid "56  " and name "HD2 "))
 ASSI { 1393}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "29  " and name "HA  "))
      3.300     1.400     1.600 peak  1393 weight  0.10000E+01 volume  0.19115E+02 ppm1      1.057 ppm2      4.685
 OR { 1393}
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
   (( segid "    " and resid "29  " and name "HA  "))
 ASSI { 1398}
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
   (( segid "    " and resid "31  " and name "HD1 "))
      3.500     1.500     1.700 peak  1398 weight  0.10000E+01 volume  0.13738E+02 ppm1      0.738 ppm2      4.052
 ASSI { 1400}
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
   (( segid "    " and resid "31  " and name "HD1 "))
      3.800     1.800     1.700 peak  1400 weight  0.10000E+01 volume  0.79907E+01 ppm1      1.166 ppm2      4.043
 ASSI { 1404}
   (( segid "    " and resid "35  " and name "HA  "))
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
      3.500     1.500     1.700 peak  1404 weight  0.10000E+01 volume  0.13134E+02 ppm1      4.681 ppm2      7.377
 ASSI { 1412}
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "18  " and name "HD1 "))
      3.200     1.300     1.500 peak  1412 weight  0.10000E+01 volume  0.22536E+02 ppm1      4.318 ppm2      3.836
 ASSI { 1455}
   (( segid "    " and resid "37  " and name "HB1 "))
   (( segid "    " and resid "37  " and name "HG1 "))
      2.300     0.700     0.900 peak  1455 weight  0.10000E+01 volume  0.16854E+03 ppm1      2.122 ppm2      1.830
 OR { 1455}
   (( segid "    " and resid "37  " and name "HB2 "))
   (( segid "    " and resid "37  " and name "HG2 "))
 OR { 1455}
   (( segid "    " and resid "37  " and name "HB1 "))
   (( segid "    " and resid "37  " and name "HG2 "))
 ASSI { 1465}
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      2.800     1.000     1.200 peak  1465 weight  0.10000E+01 volume  0.46014E+02 ppm1      1.225 ppm2      0.851
 ASSI { 1468}
   (( segid "    " and resid "52  " and name "HB1 "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      2.200     2.200     2.300 peak  1468 weight  0.10000E+01 volume  0.22966E+03 ppm1      1.609 ppm2      1.301
 ASSI { 1470}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "52  " and name "HB1 "))
      1.600     0.300     0.600 peak  1470 weight  0.10000E+01 volume  0.12374E+04 ppm1      1.733 ppm2      1.620
 ASSI {    7}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HB1 "))
      5.500     3.800     0.000 peak     7 weight  0.10000E+01 volume  0.33550E+00 ppm1     10.466 ppm2      3.278
 OR {    7}
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HB2 "))
 ASSI {   55}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      5.000     3.100     0.500 peak    55 weight  0.10000E+01 volume -0.30800E+00 ppm1      9.083 ppm2      4.583
 OR {   55}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
 ASSI {  109}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HB  "))
      5.500     3.800     0.000 peak   109 weight  0.10000E+01 volume  0.73800E-01 ppm1      9.210 ppm2      1.894
 OR {  109}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB2 "))
 ASSI {  111}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HB  "))
      5.000     3.100     0.500 peak   111 weight  0.10000E+01 volume -0.53700E+00 ppm1      9.302 ppm2      1.892
 OR {  111}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB2 "))
 ASSI {  132}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HB1 "))
      5.500     3.800     0.000 peak   132 weight  0.10000E+01 volume  0.33530E+00 ppm1      9.073 ppm2      1.449
 OR {  132}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HB2 "))
 OR {  132}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HB2 "))
 ASSI {  136}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HB2 "))
      5.000     3.100     0.500 peak   136 weight  0.10000E+01 volume -0.87900E+00 ppm1      9.077 ppm2      1.731
 OR {  136}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HB2 "))
 ASSI {  146}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
      5.000     3.100     0.500 peak   146 weight  0.10000E+01 volume -0.10220E+01 ppm1      9.501 ppm2      0.750
 OR {  146}
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI {  155}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG11"))
      5.000     3.100     0.500 peak   155 weight  0.10000E+01 volume -0.28800E+00 ppm1      9.305 ppm2      1.046
 OR {  155}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG12"))
 OR {  155}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
 ASSI {  157}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
      5.000     3.100     0.500 peak   157 weight  0.10000E+01 volume -0.41560E+01 ppm1      9.303 ppm2      0.763
 OR {  157}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 OR {  157}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 OR {  157}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
 ASSI {  160}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
      5.000     3.100     0.500 peak   160 weight  0.10000E+01 volume -0.20930E+01 ppm1      9.201 ppm2      0.758
 OR {  160}
   (( segid "    " and resid "42  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI {  165}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
      5.000     3.100     0.500 peak   165 weight  0.10000E+01 volume -0.37750E+01 ppm1      9.072 ppm2      0.748
 OR {  165}
   (( segid "    " and resid "53  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
 OR {  165}
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI {  166}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
      5.000     3.100     0.500 peak   166 weight  0.10000E+01 volume -0.52300E+00 ppm1      8.962 ppm2      0.764
 OR {  166}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 ASSI {  169}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
      5.000     3.100     0.500 peak   169 weight  0.10000E+01 volume -0.27770E+01 ppm1      8.702 ppm2      0.762
 OR {  169}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 OR {  169}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 OR {  169}
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI {  176}
   (( segid "    " and resid "44  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      5.000     3.100     0.500 peak   176 weight  0.10000E+01 volume -0.32460E+01 ppm1      8.551 ppm2      0.761
 OR {  176}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 ASSI {  178}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
      5.000     3.100     0.500 peak   178 weight  0.10000E+01 volume -0.42000E-01 ppm1      8.481 ppm2      0.711
 OR {  178}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
 ASSI {  180}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      5.000     3.100     0.500 peak   180 weight  0.10000E+01 volume -0.19240E+01 ppm1      8.480 ppm2      0.762
 OR {  180}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 OR {  180}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
 OR {  180}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 ASSI {  187}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
      5.500     3.800     0.000 peak   187 weight  0.10000E+01 volume  0.22600E-01 ppm1      8.308 ppm2      0.701
 OR {  187}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
 ASSI {  195}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "10  " and name "HG21")
     OR 
    ( segid "    " and resid "10  " and name "HG23")
     OR 
    ( segid "    " and resid "10  " and name "HG22"))
      5.000     3.100     0.500 peak   195 weight  0.10000E+01 volume -0.38200E+00 ppm1      8.591 ppm2      1.169
 OR {  195}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
 ASSI {  201}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HG  "))
      5.000     3.100     0.500 peak   201 weight  0.10000E+01 volume  0.93010E+00 ppm1      8.487 ppm2      1.303
 OR {  201}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
 ASSI {  208}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HG1 "))
      5.000     3.100     0.500 peak   208 weight  0.10000E+01 volume -0.14360E+01 ppm1      8.664 ppm2      1.450
 OR {  208}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HG1 "))
 ASSI {  222}
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HB  "))
      5.000     3.100     0.500 peak   222 weight  0.10000E+01 volume -0.17400E+00 ppm1      8.673 ppm2      1.937
 OR {  222}
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB1 "))
 ASSI {  238}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HB2 "))
      5.000     3.100     0.500 peak   238 weight  0.10000E+01 volume -0.27400E+00 ppm1      8.486 ppm2      1.901
 OR {  238}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HB1 "))
 OR {  238}
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB2 "))
 ASSI {  242}
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HB1 "))
      5.000     3.100     0.500 peak   242 weight  0.10000E+01 volume -0.81600E+00 ppm1      8.479 ppm2      1.629
 OR {  242}
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG11"))
 ASSI {  250}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB  "))
      5.500     3.800     0.000 peak   250 weight  0.10000E+01 volume  0.43420E+00 ppm1      8.416 ppm2      1.880
 OR {  250}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HB  "))
 ASSI {  287}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HA  "))
      5.000     3.100     0.500 peak   287 weight  0.10000E+01 volume -0.18590E+01 ppm1      8.591 ppm2      4.678
 OR {  287}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "35  " and name "HA  "))
 ASSI {  292}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
      5.000     3.100     0.500 peak   292 weight  0.10000E+01 volume -0.14930E+01 ppm1      8.409 ppm2      4.679
 OR {  292}
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HA  "))
 ASSI {  314}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD2 "))
      5.500     3.800     0.000 peak   314 weight  0.10000E+01 volume  0.45290E+00 ppm1      8.549 ppm2      3.996
 OR {  314}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB1 "))
 OR {  314}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB2 "))
 ASSI {  346}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HA  "))
      5.000     3.100     0.500 peak   346 weight  0.10000E+01 volume -0.10000E-02 ppm1      8.097 ppm2      4.926
 OR {  346}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
 ASSI {  388}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      5.000     3.100     0.500 peak   388 weight  0.10000E+01 volume -0.32300E+00 ppm1      8.301 ppm2      4.495
 OR {  388}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
 ASSI {  418}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HA  "))
      5.400     3.600     0.100 peak   418 weight  0.10000E+01 volume  0.62190E+00 ppm1      8.299 ppm2      4.222
 OR {  418}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
 ASSI {  432}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HA  "))
      4.300     2.300     1.200 peak   432 weight  0.10000E+01 volume  0.22618E+01 ppm1      8.308 ppm2      3.903
 OR {  432}
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
 OR {  432}
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HA  "))
 ASSI {  439}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB1 "))
      5.000     3.100     0.500 peak   439 weight  0.10000E+01 volume -0.11000E+00 ppm1      7.928 ppm2      3.839
 OR {  439}
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HD1 "))
 ASSI {  444}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HA  "))
      5.500     3.800     0.000 peak   444 weight  0.10000E+01 volume  0.41200E-01 ppm1      7.947 ppm2      4.116
 OR {  444}
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HA  "))
 ASSI {  454}
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HA  "))
      5.500     3.800     0.000 peak   454 weight  0.10000E+01 volume  0.12650E+00 ppm1      7.800 ppm2      4.110
 OR {  454}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HA  "))
 ASSI {  516}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HG1 "))
      5.000     3.100     0.500 peak   516 weight  0.10000E+01 volume -0.16380E+01 ppm1      8.060 ppm2      1.556
 OR {  516}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
 ASSI {  518}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB2 "))
      5.000     3.100     0.500 peak   518 weight  0.10000E+01 volume -0.10090E+01 ppm1      8.092 ppm2      1.685
 OR {  518}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB1 "))
 OR {  518}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HG2 "))
 ASSI {  526}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HG2 "))
      5.000     3.100     0.500 peak   526 weight  0.10000E+01 volume -0.86800E+00 ppm1      8.158 ppm2      1.682
 OR {  526}
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB1 "))
 ASSI {  586}
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      5.000     3.100     0.500 peak   586 weight  0.10000E+01 volume -0.31400E+00 ppm1      8.216 ppm2      0.760
 OR {  586}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 OR {  586}
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI {  593}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "10  " and name "HG21")
     OR 
    ( segid "    " and resid "10  " and name "HG23")
     OR 
    ( segid "    " and resid "10  " and name "HG22"))
      5.500     3.800     0.000 peak   593 weight  0.10000E+01 volume  0.55110E+00 ppm1      8.060 ppm2      1.171
 OR {  593}
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
 ASSI {  603}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
      5.000     3.100     0.500 peak   603 weight  0.10000E+01 volume -0.21700E+00 ppm1      8.089 ppm2      0.829
 OR {  603}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 OR {  603}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
 ASSI {  604}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      5.000     3.100     0.500 peak   604 weight  0.10000E+01 volume -0.25720E+01 ppm1      8.091 ppm2      0.764
 OR {  604}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
 OR {  604}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
 OR {  604}
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 OR {  604}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 OR {  604}
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
 ASSI {  605}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      5.000     3.100     0.500 peak   605 weight  0.10000E+01 volume -0.22640E+01 ppm1      8.057 ppm2      0.765
 OR {  605}
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
 ASSI {  619}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
      5.000     3.100     0.500 peak   619 weight  0.10000E+01 volume -0.11300E+00 ppm1      7.799 ppm2      0.767
 OR {  619}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
 OR {  619}
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI {  624}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      5.500     3.800     0.000 peak   624 weight  0.10000E+01 volume  0.39000E+00 ppm1      7.752 ppm2      0.762
 OR {  624}
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
 ASSI {  628}
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
      5.000     3.100     0.500 peak   628 weight  0.10000E+01 volume -0.28800E+00 ppm1      7.297 ppm2      0.700
 OR {  628}
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
 ASSI {  646}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "10  " and name "HG21")
     OR 
    ( segid "    " and resid "10  " and name "HG23")
     OR 
    ( segid "    " and resid "10  " and name "HG22"))
      4.000     2.000     1.500 peak   646 weight  0.10000E+01 volume  0.34763E+01 ppm1      7.269 ppm2      1.170
 OR {  646}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
 ASSI {  658}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB1 "))
      2.800     1.000     1.200 peak   658 weight  0.10000E+01 volume  0.33571E+02 ppm1      7.270 ppm2      1.689
 OR {  658}
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB2 "))
 OR {  658}
   (( segid "    " and resid "35  " and name "HD1 ")
     OR 
    ( segid "    " and resid "35  " and name "HD2 "))
   (( segid "    " and resid "34  " and name "HG1 "))
 ASSI {  661}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "34  " and name "HG2 "))
      3.400     1.400     1.600 peak   661 weight  0.10000E+01 volume  0.95025E+01 ppm1      7.377 ppm2      1.701
 OR {  661}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "34  " and name "HG1 "))
 OR {  661}
   (( segid "    " and resid "35  " and name "HE1 ")
     OR 
    ( segid "    " and resid "35  " and name "HE2 "))
   (( segid "    " and resid "8   " and name "HG2 "))
 ASSI {  664}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB  "))
      5.400     3.600     0.100 peak   664 weight  0.10000E+01 volume  0.59020E+00 ppm1      7.553 ppm2      1.865
 OR {  664}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB1 "))
 ASSI {  665}
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HG2 "))
      5.000     3.100     0.500 peak   665 weight  0.10000E+01 volume -0.65500E+00 ppm1      7.552 ppm2      1.901
 OR {  665}
   (( segid "    " and resid "20  " and name "HD21"))
   (( segid "    " and resid "59  " and name "HB1 "))
 ASSI {  740}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
      5.000     3.100     0.500 peak   740 weight  0.10000E+01 volume -0.10290E+01 ppm1      7.247 ppm2      4.266
 OR {  740}
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "7   " and name "HA  "))
 ASSI {  786}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HD21"))
      5.500     3.800     0.000 peak   786 weight  0.10000E+01 volume  0.64100E-01 ppm1      8.966 ppm2      7.553
 OR {  786}
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HN  "))
 ASSI {  806}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HN  "))
      5.500     3.800     0.000 peak   806 weight  0.10000E+01 volume  0.15940E+00 ppm1      8.591 ppm2      8.048
 OR {  806}
   (( segid "    " and resid "8   " and name "HN  "))
   (( segid "    " and resid "7   " and name "HN  "))
 ASSI {  807}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HN  "))
      5.000     3.100     0.500 peak   807 weight  0.10000E+01 volume -0.22100E+00 ppm1      8.549 ppm2      7.551
 OR {  807}
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HD21"))
 ASSI {  879}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "21  " and name "HG1 "))
      2.000     2.000     2.500 peak   879 weight  0.10000E+01 volume  0.21809E+03 ppm1      0.765 ppm2      1.938
 OR {  879}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "21  " and name "HG1 "))
 OR {  879}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "47  " and name "HB1 "))
 OR {  879}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "21  " and name "HG2 "))
 OR {  879}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "21  " and name "HG2 "))
 OR {  879}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "21  " and name "HG1 "))
 ASSI {  916}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "25  " and name "HA  "))
      4.500     2.500     1.000 peak   916 weight  0.10000E+01 volume  0.18438E+01 ppm1      3.138 ppm2      4.463
 OR {  916}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "28  " and name "HA  "))
 ASSI {  937}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
      2.300     2.300     2.200 peak   937 weight  0.10000E+01 volume  0.95388E+02 ppm1      0.763 ppm2      1.157
 OR {  937}
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
 OR {  937}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
 OR {  937}
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
 ASSI {  949}
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
   (( segid "    " and resid "30  " and name "HA  "))
      2.500     0.800     1.000 peak   949 weight  0.10000E+01 volume  0.59883E+02 ppm1      0.738 ppm2      4.677
 OR {  949}
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
   (( segid "    " and resid "29  " and name "HA  "))
 ASSI {  980}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HA  "))
      5.000     3.100     0.500 peak   980 weight  0.10000E+01 volume  0.95220E+00 ppm1      9.306 ppm2      4.682
 OR {  980}
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
 ASSI { 1043}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HA  "))
      1.800     1.800     2.700 peak  1043 weight  0.10000E+01 volume  0.44687E+03 ppm1      3.904 ppm2      4.169
 OR { 1043}
   (( segid "    " and resid "62  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HA  "))
 ASSI { 1146}
   (( segid "    " and resid "56  " and name "HB1 "))
   (( segid "    " and resid "57  " and name "HA  "))
      2.800     1.000     1.200 peak  1146 weight  0.10000E+01 volume  0.29713E+02 ppm1      2.132 ppm2      4.271
 OR { 1146}
   (( segid "    " and resid "56  " and name "HB2 "))
   (( segid "    " and resid "57  " and name "HA  "))
 OR { 1146}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "32  " and name "HA  "))
 ASSI { 1152}
   (( segid "    " and resid "7   " and name "HB  "))
   (( segid "    " and resid "35  " and name "HA  "))
      3.100     1.200     1.400 peak  1152 weight  0.10000E+01 volume  0.16864E+02 ppm1      2.072 ppm2      4.681
 OR { 1152}
   (( segid "    " and resid "40  " and name "HB1 "))
   (( segid "    " and resid "30  " and name "HA  "))
 OR { 1152}
   (( segid "    " and resid "56  " and name "HG1 "))
   (( segid "    " and resid "55  " and name "HA  "))
 OR { 1152}
   (( segid "    " and resid "7   " and name "HB  "))
   (( segid "    " and resid "8   " and name "HA  "))
 ASSI { 1167}
   (( segid "    " and resid "27  " and name "HB2 "))
   (( segid "    " and resid "43  " and name "HA  "))
      3.400     1.400     1.600 peak  1167 weight  0.10000E+01 volume  0.10066E+02 ppm1      1.894 ppm2      5.016
 OR { 1167}
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "43  " and name "HA  "))
 OR { 1167}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "54  " and name "HA  "))
 ASSI { 1174}
   (( segid "    " and resid "12  " and name "HB  "))
   (( segid "    " and resid "12  " and name "HA  "))
      2.200     0.600     0.800 peak  1174 weight  0.10000E+01 volume  0.12634E+03 ppm1      1.947 ppm2      4.111
 OR { 1174}
   (( segid "    " and resid "66  " and name "HB2 "))
   (( segid "    " and resid "66  " and name "HA  "))
 ASSI { 1180}
   (( segid "    " and resid "39  " and name "HB  "))
   (( segid "    " and resid "38  " and name "HA  "))
      5.000     3.100     0.500 peak  1180 weight  0.10000E+01 volume -0.34490E+01 ppm1      1.892 ppm2      4.728
 OR { 1180}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "9   " and name "HA  "))
 ASSI { 1181}
   (( segid "    " and resid "19  " and name "HB  "))
   (( segid "    " and resid "20  " and name "HA  "))
      3.800     1.800     1.700 peak  1181 weight  0.10000E+01 volume  0.46356E+01 ppm1      1.859 ppm2      4.919
 OR { 1181}
   (( segid "    " and resid "17  " and name "HB1 "))
   (( segid "    " and resid "20  " and name "HA  "))
 ASSI { 1196}
   (( segid "    " and resid "8   " and name "HG2 "))
   (( segid "    " and resid "8   " and name "HA  "))
      2.800     1.000     1.200 peak  1196 weight  0.10000E+01 volume  0.30631E+02 ppm1      1.696 ppm2      4.676
 OR { 1196}
   (( segid "    " and resid "34  " and name "HG1 "))
   (( segid "    " and resid "35  " and name "HA  "))
 ASSI { 1199}
   (( segid "    " and resid "47  " and name "HG2 "))
   (( segid "    " and resid "47  " and name "HA  "))
      2.600     0.800     1.000 peak  1199 weight  0.10000E+01 volume  0.48629E+02 ppm1      1.689 ppm2      4.227
 OR { 1199}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "64  " and name "HA  "))
 ASSI { 1203}
   (( segid "    " and resid "25  " and name "HB1 "))
   (( segid "    " and resid "45  " and name "HA  "))
      3.000     1.100     1.300 peak  1203 weight  0.10000E+01 volume  0.19765E+02 ppm1      1.688 ppm2      4.922
 OR { 1203}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HA  "))
 OR { 1203}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HA  "))
 ASSI { 1218}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "29  " and name "HA  "))
      2.800     1.000     1.200 peak  1218 weight  0.10000E+01 volume  0.29746E+02 ppm1      1.458 ppm2      4.682
 OR { 1218}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "30  " and name "HA  "))
 ASSI { 1219}
   (( segid "    " and resid "54  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HA  "))
      3.800     1.800     1.700 peak  1219 weight  0.10000E+01 volume  0.49459E+01 ppm1      1.447 ppm2      4.585
 OR { 1219}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "42  " and name "HA  "))
 OR { 1219}
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "17  " and name "HA  "))
 OR { 1219}
   (( segid "    " and resid "54  " and name "HB1 "))
   (( segid "    " and resid "42  " and name "HA  "))
 ASSI { 1229}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "45  " and name "HA  "))
      3.500     1.500     1.700 peak  1229 weight  0.10000E+01 volume  0.76450E+01 ppm1      1.399 ppm2      4.922
 OR { 1229}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "45  " and name "HA  "))
 OR { 1229}
   (( segid "    " and resid "26  " and name "HG2 "))
   (( segid "    " and resid "45  " and name "HA  "))
 ASSI { 1269}
   (( segid "    " and resid "25  " and name "HG1 "))
   (( segid "    " and resid "44  " and name "HB  "))
      5.000     3.100     0.500 peak  1269 weight  0.10000E+01 volume -0.83300E+00 ppm1      2.182 ppm2      3.944
 OR { 1269}
   (( segid "    " and resid "25  " and name "HG2 "))
   (( segid "    " and resid "44  " and name "HB  "))
 OR { 1269}
   (( segid "    " and resid "25  " and name "HG2 "))
   (( segid "    " and resid "49  " and name "HA2 "))
 OR { 1269}
   (( segid "    " and resid "25  " and name "HG1 "))
   (( segid "    " and resid "49  " and name "HA2 "))
 ASSI { 1278}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.700     1.700     1.800 peak  1278 weight  0.10000E+01 volume  0.62449E+01 ppm1      2.132 ppm2      4.117
 OR { 1278}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "68  " and name "HA  "))
 OR { 1278}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "66  " and name "HA  "))
 OR { 1278}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "66  " and name "HA  "))
 ASSI { 1283}
   (( segid "    " and resid "21  " and name "HG2 "))
   (( segid "    " and resid "64  " and name "HA  "))
      2.000     0.500     0.700 peak  1283 weight  0.10000E+01 volume  0.20891E+03 ppm1      1.934 ppm2      4.229
 OR { 1283}
   (( segid "    " and resid "21  " and name "HG1 "))
   (( segid "    " and resid "64  " and name "HA  "))
 OR { 1283}
   (( segid "    " and resid "47  " and name "HB1 "))
   (( segid "    " and resid "47  " and name "HA  "))
 ASSI { 1284}
   (( segid "    " and resid "47  " and name "HB1 "))
   (( segid "    " and resid "48  " and name "HA  "))
      2.200     2.200     2.300 peak  1284 weight  0.10000E+01 volume  0.12680E+03 ppm1      1.924 ppm2      4.053
 OR { 1284}
   (( segid "    " and resid "50  " and name "HB1 "))
   (( segid "    " and resid "48  " and name "HA  "))
 OR { 1284}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "58  " and name "HB2 "))
 ASSI { 1305}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "65  " and name "HA  "))
      2.200     2.200     2.300 peak  1305 weight  0.10000E+01 volume  0.12294E+03 ppm1      1.395 ppm2      3.902
 OR { 1305}
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
   (( segid "    " and resid "65  " and name "HA  "))
 OR { 1305}
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
   (( segid "    " and resid "61  " and name "HA  "))
 ASSI { 1317}
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
   (( segid "    " and resid "68  " and name "HA  "))
      2.800     1.000     1.200 peak  1317 weight  0.10000E+01 volume  0.31172E+02 ppm1      0.964 ppm2      4.116
 OR { 1317}
   (( segid "    " and resid "12  " and name "HG21")
     OR 
    ( segid "    " and resid "12  " and name "HG23")
     OR 
    ( segid "    " and resid "12  " and name "HG22"))
   (( segid "    " and resid "12  " and name "HA  "))
 ASSI { 1344}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "20  " and name "HB1 "))
      3.700     1.700     1.800 peak  1344 weight  0.10000E+01 volume  0.61279E+01 ppm1      0.762 ppm2      2.930
 OR { 1344}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "20  " and name "HB1 "))
 OR { 1344}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "20  " and name "HB1 "))
 ASSI { 1347}
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
   (( segid "    " and resid "53  " and name "HB1 "))
      3.900     1.900     1.600 peak  1347 weight  0.10000E+01 volume  0.39971E+01 ppm1      0.762 ppm2      3.270
 OR { 1347}
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
   (( segid "    " and resid "11  " and name "HB1 "))
 OR { 1347}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "53  " and name "HB1 "))
 ASSI { 1432}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HB1 "))
      2.500     2.500     2.000 peak  1432 weight  0.10000E+01 volume  0.66302E+02 ppm1      4.050 ppm2      1.934
 OR { 1432}
   (( segid "    " and resid "58  " and name "HB2 "))
   (( segid "    " and resid "59  " and name "HB2 "))
 ASSI { 1502}
   (( segid "    " and resid "17  " and name "HB1 "))
   (( segid "    " and resid "17  " and name "HB2 "))
      1.600     0.300     0.600 peak  1502 weight  0.10000E+01 volume  0.79232E+03 ppm1      1.872 ppm2      2.068
 OR { 1502}
   (( segid "    " and resid "39  " and name "HB  "))
   (( segid "    " and resid "56  " and name "HG1 "))
 ASSI { 1528}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "21  " and name "HB2 "))
      2.200     0.600     0.800 peak  1528 weight  0.10000E+01 volume  0.11706E+03 ppm1      0.829 ppm2      2.131
 OR { 1528}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "56  " and name "HB2 "))
 ASSI { 1531}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "56  " and name "HG2 "))
      2.300     0.700     0.900 peak  1531 weight  0.10000E+01 volume  0.10596E+03 ppm1      0.764 ppm2      2.016
 OR { 1531}
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
   (( segid "    " and resid "56  " and name "HG2 "))
 ASSI { 1534}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "68  " and name "HB  "))
      5.500     3.800     0.000 peak  1534 weight  0.10000E+01 volume  0.20020E+00 ppm1      0.770 ppm2      2.242
 OR { 1534}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "68  " and name "HB  "))
 OR { 1534}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "57  " and name "HB1 "))
 ASSI { 1549}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "41  " and name "HG12"))
      1.900     0.500     0.700 peak  1549 weight  0.10000E+01 volume  0.36173E+03 ppm1      0.829 ppm2      1.051
 OR { 1549}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
 OR { 1549}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
 ASSI { 1562}
   (( segid "    " and resid "41  " and name "HG12"))
   (( segid "    " and resid "54  " and name "HB2 "))
      1.800     1.800     2.700 peak  1562 weight  0.10000E+01 volume  0.43409E+03 ppm1      1.045 ppm2      1.446
 OR { 1562}
   (( segid "    " and resid "41  " and name "HG11"))
   (( segid "    " and resid "54  " and name "HB2 "))
 OR { 1562}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "30  " and name "HG12"))
 OR { 1562}
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
   (( segid "    " and resid "54  " and name "HB2 "))
 OR { 1562}
   (( segid "    " and resid "41  " and name "HG12"))
   (( segid "    " and resid "54  " and name "HB1 "))
 OR { 1562}
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
   (( segid "    " and resid "54  " and name "HB2 "))
 ASSI { 1667}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "62  " and name "HA  "))
      2.000     0.500     0.700 peak  1667 weight  0.10000E+01 volume  0.22334E+03 ppm1      0.762 ppm2      3.895
 OR { 1667}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "61  " and name "HA  "))
 OR { 1667}
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
   (( segid "    " and resid "65  " and name "HA  "))
 OR { 1667}
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
   (( segid "    " and resid "62  " and name "HA  "))
 ASSI { 1668}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "15  " and name "HB1 "))
      3.200     1.300     1.500 peak  1668 weight  0.10000E+01 volume  0.13618E+02 ppm1      0.762 ppm2      3.851
 OR { 1668}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "15  " and name "HB1 "))
 OR { 1668}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "15  " and name "HB1 "))
 ASSI { 1675}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "54  " and name "HB2 "))
      1.800     1.800     2.700 peak  1675 weight  0.10000E+01 volume  0.40823E+03 ppm1      0.770 ppm2      1.444
 OR { 1675}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "47  " and name "HG1 "))
 OR { 1675}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
 OR { 1675}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "54  " and name "HB2 "))
 OR { 1675}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "54  " and name "HB1 "))
 OR { 1675}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "54  " and name "HB1 "))
 OR { 1675}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "54  " and name "HB1 "))
 OR { 1675}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "54  " and name "HB2 "))
 ASSI { 1676}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "25  " and name "HB2 "))
      2.000     2.000     2.500 peak  1676 weight  0.10000E+01 volume  0.21832E+03 ppm1      0.763 ppm2      1.713
 OR { 1676}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "25  " and name "HB1 "))
 OR { 1676}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "14  " and name "HB  "))
 OR { 1676}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "25  " and name "HB2 "))
 OR { 1676}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "25  " and name "HB1 "))
 ASSI { 1717}
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "26  " and name "HG2 "))
      1.500     0.300     0.700 peak  1717 weight  0.10000E+01 volume  0.11930E+04 ppm1      1.686 ppm2      1.396
 OR { 1717}
   (( segid "    " and resid "24  " and name "HB2 "))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
 OR { 1717}
   (( segid "    " and resid "24  " and name "HB1 "))
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
 OR { 1717}
   (( segid "    " and resid "24  " and name "HB1 "))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
 ASSI { 1779}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "26  " and name "HG2 "))
      3.800     1.800     1.700 peak  1779 weight  0.10000E+01 volume  0.51679E+01 ppm1      4.021 ppm2      1.392
 OR { 1779}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HD11")
     OR 
    ( segid "    " and resid "24  " and name "HD13")
     OR 
    ( segid "    " and resid "24  " and name "HD12"))
 OR { 1779}
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HD21")
     OR 
    ( segid "    " and resid "24  " and name "HD23")
     OR 
    ( segid "    " and resid "24  " and name "HD22"))
 ASSI { 1800}
   (( segid "    " and resid "20  " and name "HD22"))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
      5.500     3.800     0.000 peak  1800 weight  0.10000E+01 volume  0.43770E+00 ppm1      6.955 ppm2      0.763
 OR { 1800}
   (( segid "    " and resid "20  " and name "HD22"))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 ASSI { 1820}
   (( segid "    " and resid "56  " and name "HD2 "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      2.600     0.800     1.000 peak  1820 weight  0.10000E+01 volume  0.46472E+02 ppm1      3.965 ppm2      0.763
 OR { 1820}
   (( segid "    " and resid "56  " and name "HD1 "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 OR { 1820}
   (( segid "    " and resid "56  " and name "HD2 "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
 OR { 1820}
   (( segid "    " and resid "56  " and name "HD1 "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
 OR { 1820}
   (( segid "    " and resid "56  " and name "HD2 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 OR { 1820}
   (( segid "    " and resid "56  " and name "HD1 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI { 1842}
   (( segid "    " and resid "61  " and name "HB  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      4.000     2.000     1.500 peak  1842 weight  0.10000E+01 volume  0.36331E+01 ppm1      2.413 ppm2      1.436
 OR { 1842}
   (( segid "    " and resid "45  " and name "HB1 "))
   (( segid "    " and resid "47  " and name "HG1 "))
 ASSI { 1846}
   (( segid "    " and resid "56  " and name "HB2 "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      2.200     0.600     0.800 peak  1846 weight  0.10000E+01 volume  0.12090E+03 ppm1      2.131 ppm2      0.761
 OR { 1846}
   (( segid "    " and resid "56  " and name "HB1 "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 OR { 1846}
   (( segid "    " and resid "56  " and name "HB1 "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
 ASSI { 1855}
   (( segid "    " and resid "19  " and name "HB  "))
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
      2.100     0.600     0.800 peak  1855 weight  0.10000E+01 volume  0.19031E+03 ppm1      1.878 ppm2      0.763
 OR { 1855}
   (( segid "    " and resid "19  " and name "HB  "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 OR { 1855}
   (( segid "    " and resid "27  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI { 1866}
   (( segid "    " and resid "34  " and name "HG1 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
      3.300     1.400     1.600 peak  1866 weight  0.10000E+01 volume  0.10721E+02 ppm1      1.694 ppm2      0.953
 OR { 1866}
   (( segid "    " and resid "8   " and name "HG2 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
 OR { 1866}
   (( segid "    " and resid "34  " and name "HG2 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
 ASSI { 1905}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "65  " and name "HA  "))
      2.600     0.800     1.000 peak  1905 weight  0.10000E+01 volume  0.46100E+02 ppm1      0.836 ppm2      3.897
 OR { 1905}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "61  " and name "HA  "))
 ASSI { 1907}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      1.900     1.900     2.600 peak  1907 weight  0.10000E+01 volume  0.35829E+03 ppm1      1.717 ppm2      0.761
 OR { 1907}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
 OR { 1907}
   (( segid "    " and resid "14  " and name "HB  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 OR { 1907}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 OR { 1907}
   (( segid "    " and resid "52  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 ASSI { 1936}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HN  "))
      5.000     3.100     0.500 peak  1936 weight  0.10000E+01 volume -0.47000E+00 ppm1      1.451 ppm2      9.300
 OR { 1936}
   (( segid "    " and resid "54  " and name "HB2 "))
   (( segid "    " and resid "41  " and name "HN  "))
 ASSI { 1983}
   (( segid "    " and resid "62  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HN  "))
      4.300     2.300     1.200 peak  1983 weight  0.10000E+01 volume  0.24981E+01 ppm1      3.910 ppm2      8.304
 OR { 1983}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI { 2067}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "40  " and name "HN  "))
      5.000     3.100     0.500 peak  2067 weight  0.10000E+01 volume -0.74100E+00 ppm1      1.890 ppm2      8.410
 OR { 2067}
   (( segid "    " and resid "39  " and name "HB  "))
   (( segid "    " and resid "40  " and name "HN  "))
 ASSI { 2072}
   (( segid "    " and resid "59  " and name "HB1 "))
   (( segid "    " and resid "62  " and name "HN  "))
      4.400     2.400     1.100 peak  2072 weight  0.10000E+01 volume  0.21152E+01 ppm1      1.901 ppm2      8.306
 OR { 2072}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI { 2093}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "62  " and name "HN  "))
      3.900     1.900     1.600 peak  2093 weight  0.10000E+01 volume  0.43336E+01 ppm1      0.762 ppm2      8.306
 OR { 2093}
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
   (( segid "    " and resid "65  " and name "HN  "))
 ASSI { 2125}
   (( segid "    " and resid "61  " and name "HG11"))
   (( segid "    " and resid "61  " and name "HN  "))
      3.700     1.700     1.800 peak  2125 weight  0.10000E+01 volume  0.60634E+01 ppm1      1.631 ppm2      7.296
 OR { 2125}
   (( segid "    " and resid "61  " and name "HG11"))
   (( segid "    " and resid "58  " and name "HN  "))
 ASSI { 2206}
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HN  "))
      4.300     2.300     1.200 peak  2206 weight  0.10000E+01 volume  0.24924E+01 ppm1      3.898 ppm2      7.749
 OR { 2206}
   (( segid "    " and resid "62  " and name "HA  "))
   (( segid "    " and resid "64  " and name "HN  "))
 ASSI { 2222}
   (( segid "    " and resid "64  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HN  "))
      5.000     3.100     0.500 peak  2222 weight  0.10000E+01 volume -0.24300E+00 ppm1      4.224 ppm2      7.797
 OR { 2222}
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "13  " and name "HN  "))
 ASSI { 2258}
   (( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HD22"))
      5.500     3.800     0.000 peak  2258 weight  0.10000E+01 volume  0.57100E-01 ppm1      2.802 ppm2      6.962
 OR { 2258}
   (( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "20  " and name "HD22"))
 ASSI { 2275}
   (( segid "    " and resid "41  " and name "HB  "))
   (( segid "    " and resid "53  " and name "HA  "))
      5.000     3.100     0.500 peak  2275 weight  0.10000E+01 volume -0.27500E+00 ppm1      1.896 ppm2      5.800
 OR { 2275}
   (( segid "    " and resid "40  " and name "HB2 "))
   (( segid "    " and resid "53  " and name "HA  "))
 ASSI { 2288}
   (( segid "    " and resid "59  " and name "HA  "))
   (( segid "    " and resid "58  " and name "HA  "))
      4.700     2.800     0.800 peak  2288 weight  0.10000E+01 volume  0.12993E+01 ppm1      3.909 ppm2      4.500
 OR { 2288}
   (( segid "    " and resid "62  " and name "HA  "))
   (( segid "    " and resid "63  " and name "HA  "))
 ASSI { 2321}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "29  " and name "HA  "))
      2.700     0.900     1.100 peak  2321 weight  0.10000E+01 volume  0.41623E+02 ppm1      0.829 ppm2      4.682
 OR { 2321}
   (( segid "    " and resid "64  " and name "HD21")
     OR 
    ( segid "    " and resid "64  " and name "HD23")
     OR 
    ( segid "    " and resid "64  " and name "HD22"))
   (( segid "    " and resid "55  " and name "HA  "))
 ASSI { 2384}
   (( segid "    " and resid "56  " and name "HD1 "))
   (( segid "    " and resid "39  " and name "HB  "))
      2.600     0.800     1.000 peak  2384 weight  0.10000E+01 volume  0.47072E+02 ppm1      3.951 ppm2      1.887
 OR { 2384}
   (( segid "    " and resid "56  " and name "HD2 "))
   (( segid "    " and resid "39  " and name "HB  "))
 OR { 2384}
   (( segid "    " and resid "44  " and name "HB  "))
   (( segid "    " and resid "26  " and name "HB2 "))
 ASSI { 2400}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
      2.900     1.100     1.300 peak  2400 weight  0.10000E+01 volume  0.25022E+02 ppm1      3.842 ppm2      0.763
 OR { 2400}
   (( segid "    " and resid "18  " and name "HD1 "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 OR { 2400}
   (( segid "    " and resid "18  " and name "HD1 "))
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
 OR { 2400}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 OR { 2400}
   (( segid "    " and resid "15  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI { 2405}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
      3.300     1.400     1.600 peak  2405 weight  0.10000E+01 volume  0.10906E+02 ppm1      2.133 ppm2      0.959
 OR { 2405}
   (( segid "    " and resid "37  " and name "HB1 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
 OR { 2405}
   (( segid "    " and resid "37  " and name "HB2 "))
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
 OR { 2405}
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "68  " and name "HG11")
     OR 
    ( segid "    " and resid "68  " and name "HG13")
     OR 
    ( segid "    " and resid "68  " and name "HG12"))
 OR { 2405}
   (( segid "    " and resid "30  " and name "HB  "))
   (( segid "    " and resid "29  " and name "HG12"))
 ASSI {   42}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      2.400     0.700     0.900 peak    42 weight  0.10000E+01 volume  0.11035E+03 ppm1      5.027 ppm2      1.299
 OR {   42}
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HG  "))
 ASSI {   51}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
      3.400     1.400     1.600 peak    51 weight  0.10000E+01 volume  0.15383E+02 ppm1      4.971 ppm2      0.764
 OR {   51}
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 ASSI {  138}
   (( segid "    " and resid "44  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      4.700     2.800     0.800 peak   138 weight  0.10000E+01 volume  0.22785E+01 ppm1      4.823 ppm2      0.748
 OR {  138}
   (( segid "    " and resid "44  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HG21")
     OR 
    ( segid "    " and resid "42  " and name "HG23")
     OR 
    ( segid "    " and resid "42  " and name "HG22"))
 ASSI {  142}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      2.000     2.000     2.500 peak   142 weight  0.10000E+01 volume  0.33793E+03 ppm1      4.675 ppm2      0.766
 OR {  142}
   (( segid "    " and resid "55  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 OR {  142}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HD21")
     OR 
    ( segid "    " and resid "65  " and name "HD23")
     OR 
    ( segid "    " and resid "65  " and name "HD22"))
 OR {  142}
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 OR {  142}
   (( segid "    " and resid "55  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
 ASSI {  176}
   (( segid "    " and resid "64  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HA  "))
      2.700     2.700     1.800 peak   176 weight  0.10000E+01 volume  0.62666E+02 ppm1      4.233 ppm2      3.903
 OR {  176}
   (( segid "    " and resid "64  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HA  "))
 ASSI {  226}
   (( segid "    " and resid "63  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
      4.000     2.000     1.500 peak   226 weight  0.10000E+01 volume  0.55254E+01 ppm1      4.504 ppm2      1.441
 OR {  226}
   (( segid "    " and resid "58  " and name "HA  "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
 ASSI {  230}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      3.300     1.400     1.600 peak   230 weight  0.10000E+01 volume  0.18581E+02 ppm1      4.434 ppm2      1.299
 OR {  230}
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HG  "))
 ASSI {  286}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
      4.100     2.100     1.400 peak   286 weight  0.10000E+01 volume  0.46933E+01 ppm1      4.273 ppm2      1.052
 OR {  286}
   (( segid "    " and resid "32  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
 OR {  286}
   (( segid "    " and resid "32  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
 OR {  286}
   (( segid "    " and resid "57  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
 ASSI {  331}
   (( segid "    " and resid "15  " and name "HB2 "))
   (( segid "    " and resid "14  " and name "HA  "))
      3.800     1.800     1.700 peak   331 weight  0.10000E+01 volume  0.81926E+01 ppm1      3.997 ppm2      4.242
 OR {  331}
   (( segid "    " and resid "23  " and name "HB1 "))
   (( segid "    " and resid "19  " and name "HA  "))
 OR {  331}
   (( segid "    " and resid "23  " and name "HB1 "))
   (( segid "    " and resid "47  " and name "HA  "))
 OR {  331}
   (( segid "    " and resid "23  " and name "HB2 "))
   (( segid "    " and resid "47  " and name "HA  "))
 ASSI {  334}
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HA  "))
      2.800     2.800     1.700 peak   334 weight  0.10000E+01 volume  0.49520E+02 ppm1      4.122 ppm2      3.910
 OR {  334}
   (( segid "    " and resid "68  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HA  "))
 ASSI {  387}
   (( segid "    " and resid "31  " and name "HD1 "))
   (( segid "    " and resid "30  " and name "HG12"))
      3.200     1.300     1.500 peak   387 weight  0.10000E+01 volume  0.21690E+02 ppm1      4.050 ppm2      1.443
 OR {  387}
   (( segid "    " and resid "48  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HG1 "))
 OR {  387}
   (( segid "    " and resid "58  " and name "HB2 "))
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
 ASSI {  399}
   (( segid "    " and resid "21  " and name "HD2 "))
   (( segid "    " and resid "21  " and name "HG2 "))
      2.700     0.900     1.100 peak   399 weight  0.10000E+01 volume  0.56483E+02 ppm1      3.992 ppm2      1.942
 OR {  399}
   (( segid "    " and resid "21  " and name "HD2 "))
   (( segid "    " and resid "21  " and name "HG1 "))
 OR {  399}
   (( segid "    " and resid "23  " and name "HB1 "))
   (( segid "    " and resid "47  " and name "HB1 "))
 ASSI {  400}
   (( segid "    " and resid "44  " and name "HB  "))
   (( segid "    " and resid "26  " and name "HB2 "))
      3.000     1.100     1.300 peak   400 weight  0.10000E+01 volume  0.32410E+02 ppm1      3.958 ppm2      1.896
 OR {  400}
   (( segid "    " and resid "56  " and name "HD1 "))
   (( segid "    " and resid "41  " and name "HB  "))
 ASSI {  417}
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HG1 "))
      2.700     2.700     1.800 peak   417 weight  0.10000E+01 volume  0.67410E+02 ppm1      3.891 ppm2      2.080
 OR {  417}
   (( segid "    " and resid "62  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HG1 "))
 ASSI {  597}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "25  " and name "HB2 "))
      3.200     1.300     1.500 peak   597 weight  0.10000E+01 volume  0.21823E+02 ppm1      3.141 ppm2      1.690
 OR {  597}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "25  " and name "HB1 "))
 OR {  597}
   (( segid "    " and resid "27  " and name "HM1 ")
     OR 
    ( segid "    " and resid "27  " and name "HM3 ")
     OR 
    ( segid "    " and resid "27  " and name "HM2 "))
   (( segid "    " and resid "24  " and name "HB1 "))
 ASSI {  730}
   (( segid "    " and resid "28  " and name "HG2 "))
   (( segid "    " and resid "29  " and name "HA  "))
      3.100     1.200     1.400 peak   730 weight  0.10000E+01 volume  0.25602E+02 ppm1      2.150 ppm2      4.681
 OR {  730}
   (( segid "    " and resid "28  " and name "HG2 "))
   (( segid "    " and resid "30  " and name "HA  "))
 ASSI {  735}
   (( segid "    " and resid "7   " and name "HB  "))
   (( segid "    " and resid "35  " and name "HA  "))
      3.400     1.400     1.600 peak   735 weight  0.10000E+01 volume  0.15081E+02 ppm1      2.079 ppm2      4.679
 OR {  735}
   (( segid "    " and resid "56  " and name "HG1 "))
   (( segid "    " and resid "55  " and name "HA  "))
 OR {  735}
   (( segid "    " and resid "7   " and name "HB  "))
   (( segid "    " and resid "8   " and name "HA  "))
 ASSI {  736}
   (( segid "    " and resid "21  " and name "HG1 "))
   (( segid "    " and resid "20  " and name "HA  "))
      3.800     1.800     1.700 peak   736 weight  0.10000E+01 volume  0.82468E+01 ppm1      1.919 ppm2      4.920
 OR {  736}
   (( segid "    " and resid "21  " and name "HG2 "))
   (( segid "    " and resid "20  " and name "HA  "))
 OR {  736}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HA  "))
 ASSI {  877}
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HB1 "))
      3.900     1.900     1.600 peak   877 weight  0.10000E+01 volume  0.72882E+01 ppm1      2.143 ppm2      1.231
 OR {  877}
   (( segid "    " and resid "28  " and name "HG2 "))
   (( segid "    " and resid "27  " and name "HB1 "))
 ASSI {  882}
   (( segid "    " and resid "56  " and name "HG1 "))
   (( segid "    " and resid "65  " and name "HD11")
     OR 
    ( segid "    " and resid "65  " and name "HD13")
     OR 
    ( segid "    " and resid "65  " and name "HD12"))
      2.400     0.700     0.900 peak   882 weight  0.10000E+01 volume  0.13846E+03 ppm1      2.080 ppm2      0.769
 OR {  882}
   (( segid "    " and resid "56  " and name "HG1 "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 OR {  882}
   (( segid "    " and resid "17  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 ASSI {  892}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
      1.800     1.800     2.700 peak   892 weight  0.10000E+01 volume  0.70736E+03 ppm1      1.915 ppm2      0.772
 OR {  892}
   (( segid "    " and resid "50  " and name "HB1 "))
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
 OR {  892}
   (( segid "    " and resid "59  " and name "HB2 "))
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
 OR {  892}
   (( segid "    " and resid "50  " and name "HB1 "))
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
 OR {  892}
   (( segid "    " and resid "50  " and name "HB2 "))
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
 ASSI { 1059}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "39  " and name "HG21")
     OR 
    ( segid "    " and resid "39  " and name "HG23")
     OR 
    ( segid "    " and resid "39  " and name "HG22"))
      1.800     1.800     2.700 peak  1059 weight  0.10000E+01 volume  0.74237E+03 ppm1      1.461 ppm2      1.049
 OR { 1059}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HG11"))
 OR { 1059}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "39  " and name "HG11")
     OR 
    ( segid "    " and resid "39  " and name "HG13")
     OR 
    ( segid "    " and resid "39  " and name "HG12"))
 ASSI { 1063}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
      1.900     1.900     2.600 peak  1063 weight  0.10000E+01 volume  0.46319E+03 ppm1      1.461 ppm2      0.734
 OR { 1063}
   (( segid "    " and resid "30  " and name "HG12"))
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
 ASSI { 1071}
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HA  "))
      4.400     2.400     1.100 peak  1071 weight  0.10000E+01 volume  0.30861E+01 ppm1      1.171 ppm2      5.142
 OR { 1071}
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
   (( segid "    " and resid "26  " and name "HA  "))
 ASSI { 1112}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HG1 "))
      2.400     2.400     2.100 peak  1112 weight  0.10000E+01 volume  0.12269E+03 ppm1      1.303 ppm2      1.937
 OR { 1112}
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "21  " and name "HG1 "))
 OR { 1112}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HG2 "))
 ASSI { 1137}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      1.800     0.400     0.600 peak  1137 weight  0.10000E+01 volume  0.70341E+03 ppm1      1.303 ppm2      0.773
 OR { 1137}
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 OR { 1137}
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI { 1168}
   (( segid "    " and resid "7   " and name "HG11")
     OR 
    ( segid "    " and resid "7   " and name "HG13")
     OR 
    ( segid "    " and resid "7   " and name "HG12"))
   (( segid "    " and resid "35  " and name "HA  "))
      2.700     0.900     1.100 peak  1168 weight  0.10000E+01 volume  0.61764E+02 ppm1      0.956 ppm2      4.682
 OR { 1168}
   (( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "29  " and name "HA  "))
 OR { 1168}
   (( segid "    " and resid "29  " and name "HG11"))
   (( segid "    " and resid "29  " and name "HA  "))
 ASSI { 1275}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      2.900     1.100     1.300 peak  1275 weight  0.10000E+01 volume  0.42949E+02 ppm1      0.844 ppm2      1.300
 OR { 1275}
   (( segid "    " and resid "64  " and name "HD11")
     OR 
    ( segid "    " and resid "64  " and name "HD13")
     OR 
    ( segid "    " and resid "64  " and name "HD12"))
   (( segid "    " and resid "27  " and name "HG  "))
 ASSI { 1291}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "50  " and name "HB2 "))
      2.000     2.000     2.500 peak  1291 weight  0.10000E+01 volume  0.39526E+03 ppm1      0.771 ppm2      1.908
 OR { 1291}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "50  " and name "HB1 "))
 OR { 1291}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "18  " and name "HG2 "))
 OR { 1291}
   (( segid "    " and resid "61  " and name "HG21")
     OR 
    ( segid "    " and resid "61  " and name "HG23")
     OR 
    ( segid "    " and resid "61  " and name "HG22"))
   (( segid "    " and resid "59  " and name "HB2 "))
 OR { 1291}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "18  " and name "HG2 "))
 OR { 1291}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "50  " and name "HB1 "))
 OR { 1291}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "50  " and name "HB2 "))
 ASSI { 1297}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "47  " and name "HG1 "))
      1.900     1.900     2.600 peak  1297 weight  0.10000E+01 volume  0.54719E+03 ppm1      0.769 ppm2      1.459
 OR { 1297}
   (( segid "    " and resid "19  " and name "HG21")
     OR 
    ( segid "    " and resid "19  " and name "HG23")
     OR 
    ( segid "    " and resid "19  " and name "HG22"))
   (( segid "    " and resid "48  " and name "HG1 "))
 OR { 1297}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "47  " and name "HG1 "))
 OR { 1297}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "30  " and name "HG12"))
 ASSI { 1304}
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
   (( segid "    " and resid "30  " and name "HG21")
     OR 
    ( segid "    " and resid "30  " and name "HG23")
     OR 
    ( segid "    " and resid "30  " and name "HG22"))
      4.900     3.000     0.600 peak  1304 weight  0.10000E+01 volume  0.17719E+01 ppm1      0.727 ppm2      1.091
 OR { 1304}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "42  " and name "HG11"))
 ASSI { 1305}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
      4.100     2.100     1.400 peak  1305 weight  0.10000E+01 volume  0.47326E+01 ppm1      0.725 ppm2      1.171
 OR { 1305}
   (( segid "    " and resid "29  " and name "HD11")
     OR 
    ( segid "    " and resid "29  " and name "HD13")
     OR 
    ( segid "    " and resid "29  " and name "HD12"))
   (( segid "    " and resid "32  " and name "HB1 ")
     OR 
    ( segid "    " and resid "32  " and name "HB3 ")
     OR 
    ( segid "    " and resid "32  " and name "HB2 "))
 OR { 1305}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "44  " and name "HG21")
     OR 
    ( segid "    " and resid "44  " and name "HG23")
     OR 
    ( segid "    " and resid "44  " and name "HG22"))
 ASSI { 1366}
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "61  " and name "HA  "))
      3.400     1.400     1.600 peak  1366 weight  0.10000E+01 volume  0.15013E+02 ppm1      1.447 ppm2      3.900
 OR { 1366}
   (( segid "    " and resid "60  " and name "HB1 ")
     OR 
    ( segid "    " and resid "60  " and name "HB3 ")
     OR 
    ( segid "    " and resid "60  " and name "HB2 "))
   (( segid "    " and resid "59  " and name "HA  "))
 ASSI { 1368}
   (( segid "    " and resid "41  " and name "HG21")
     OR 
    ( segid "    " and resid "41  " and name "HG23")
     OR 
    ( segid "    " and resid "41  " and name "HG22"))
   (( segid "    " and resid "54  " and name "HG  "))
      3.000     3.000     1.500 peak  1368 weight  0.10000E+01 volume  0.32698E+02 ppm1      0.706 ppm2      1.640
 OR { 1368}
   (( segid "    " and resid "61  " and name "HD11")
     OR 
    ( segid "    " and resid "61  " and name "HD13")
     OR 
    ( segid "    " and resid "61  " and name "HD12"))
   (( segid "    " and resid "61  " and name "HG11"))
 ASSI { 1395}
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
   (( segid "    " and resid "45  " and name "HA  "))
      3.400     1.400     1.600 peak  1395 weight  0.10000E+01 volume  0.16781E+02 ppm1      0.768 ppm2      4.916
 OR { 1395}
   (( segid "    " and resid "19  " and name "HG11")
     OR 
    ( segid "    " and resid "19  " and name "HG13")
     OR 
    ( segid "    " and resid "19  " and name "HG12"))
   (( segid "    " and resid "20  " and name "HA  "))
 OR { 1395}
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "45  " and name "HA  "))
 ASSI { 1440}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "47  " and name "HB1 "))
      3.100     1.200     1.400 peak  1440 weight  0.10000E+01 volume  0.28647E+02 ppm1      2.514 ppm2      1.943
 OR { 1440}
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "21  " and name "HG1 "))
 OR { 1440}
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "47  " and name "HB1 "))
 OR { 1440}
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "21  " and name "HG1 "))
 ASSI { 1464}
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      2.500     2.500     2.000 peak  1464 weight  0.10000E+01 volume  0.87280E+02 ppm1      1.304 ppm2      0.849
 OR { 1464}
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))

! hbond restraints:
! helix 
assign (resid 60 and name O ) (resid 64 and name HN ) 2.2 0.5 0.2
assign (resid 60 and name O ) (resid 64 and name N  ) 3.3 0.8 0.2
assign (resid 61 and name O ) (resid 65 and name HN ) 2.2 0.5 0.2
assign (resid 61 and name O ) (resid 65 and name N  ) 3.3 0.8 2.2
assign (resid 62 and name O ) (resid 66 and name HN ) 2.2 0.5 0.2
assign (resid 62 and name O ) (resid 66 and name N  ) 3.3 0.8 0.2
assign (resid 63 and name O ) (resid 67 and name HN ) 2.2 0.5 0.2
assign (resid 63 and name O ) (resid 67 and name N  ) 3.3 0.8 2.2
assign (resid 64 and name O ) (resid 68 and name HN ) 2.2 0.5 0.2
assign (resid 64 and name O ) (resid 68 and name N  ) 3.3 0.8 0.2
assign (resid 65 and name O ) (resid 69 and name HN ) 2.2 0.5 0.2
assign (resid 65 and name O ) (resid 69 and name N  ) 3.3 0.8 2.2 

!strand 1-2
assign (resid 32 and name O ) (resid 38 and name HN ) 2.2 0.5 0.2
assign (resid 32 and name O ) (resid 38 and name N  ) 3.3 0.8 0.2
assign (resid 38 and name O ) (resid 32 and name HN ) 2.2 0.5 0.2
assign (resid 38 and name O ) (resid 32 and name N  ) 3.3 0.8 0.2 
assign (resid 30 and name O ) (resid 40 and name HN ) 2.2 0.5 0.2 
assign (resid 30 and name O ) (resid 40 and name N  ) 3.3 0.8 0.2 
assign (resid 40 and name O ) (resid 30 and name HN ) 2.2 0.5 0.2
assign (resid 40 and name O ) (resid 30 and name N  ) 3.3 0.8 0.2
assign (resid 28 and name O ) (resid 42 and name HN ) 2.2 0.5 0.2 
assign (resid 28 and name O ) (resid 42 and name N  ) 3.3 0.8 0.2 
assign (resid 42 and name O ) (resid 28 and name HN ) 2.2 0.5 0.2
assign (resid 42 and name O ) (resid 28 and name N  ) 3.3 0.8 0.2 
assign (resid 26 and name O ) (resid 44 and name HN ) 2.2 0.5 0.2
assign (resid 26 and name O ) (resid 44 and name N  ) 3.3 0.8 0.2 
assign (resid 44 and name O ) (resid 26 and name HN ) 2.2 0.5 0.2
assign (resid 44 and name O ) (resid 26 and name N  ) 3.3 0.8 0.2
assign (resid 46 and name O ) (resid 24 and name HN ) 2.2 0.5 0.2
assign (resid 46 and name O ) (resid 24 and name N  ) 3.3 0.8 0.2
assign (resid 24 and name O ) (resid 46 and name HN ) 2.2 0.5 0.2
assign (resid 24 and name O ) (resid 46 and name N  ) 3.3 0.8 0.2

!strand 2-3
assign (resid 41 and name O ) (resid 54 and name HN ) 2.2 0.5 0.2
assign (resid 41 and name O ) (resid 54 and name N  ) 3.3 0.8 0.2
assign (resid 43 and name O ) (resid 52 and name HN ) 2.2 0.5 0.2
assign (resid 43 and name O ) (resid 52 and name N  ) 3.3 0.8 0.2
assign (resid 52 and name O ) (resid 43 and name HN ) 2.2 0.5 0.2
assign (resid 52 and name O ) (resid 43 and name N  ) 3.3 0.8 0.2
assign (resid 45 and name O ) (resid 50 and name HN ) 2.2 0.5 0.2
assign (resid 45 and name O ) (resid 50 and name N  ) 3.3 0.8 0.2
assign (resid 50 and name O ) (resid 45 and name HN ) 2.2 0.5 0.2
assign (resid 50 and name O ) (resid 45 and name N  ) 3.3 0.8 0.2


!dihedral angle constraints:
!Phi (top) and psi (bottom) angles 
! what the 4 numbers at the end of the assign statement mean:
! 1:  energy constant
! 2:  dihedral angle
! 3:  allowed range around dihedral angle
! 4:  exponent of the restraining function
! For 8 < J < 9: phi=-120 +/- 40
! For J > 9: phi=-120 +/- 30
! for b: phi=-120 +/- 30 psi=120 +/- 40
! for a: phi=-60 +/- 30 psi=-40 +/- 40

assign (resid  7 and name C  ) (resid  8 and name N  )
       (resid  8 and name CA ) (resid  8 and name C  )  1.0  -120  40 2
assign (resid  8 and name C  ) (resid  9 and name N  )
       (resid  9 and name CA ) (resid  9 and name C  )  1.0  -120  40 2
assign (resid 11 and name C  ) (resid 12 and name N  )
       (resid 12 and name CA ) (resid 12 and name C  )  1.0  -90  90 2
assign (resid  13 and name C  ) (resid  14 and name N  )
       (resid  14 and name CA ) (resid  14 and name C  )  1.0  -120  30 2
assign (resid  14 and name C  ) (resid  15 and name N  )
       (resid  15 and name CA ) (resid  15 and name C  )  1.0  -120  30 2
assign (resid  16 and name C  ) (resid  17 and name N  )
       (resid  17 and name CA ) (resid  17 and name C  )  1.0  -120  40 2
assign (resid  22 and name C  ) (resid  23 and name N  )
       (resid  23 and name CA ) (resid  23 and name C  )  1.0  -120  40 2
assign (resid  23 and name C  ) (resid  24 and name N  )
       (resid  24 and name CA ) (resid  24 and name C  )  1.0  -120  40 2
assign (resid  24 and name C  ) (resid  25 and name N  )
       (resid  25 and name CA ) (resid  25 and name C  )  1.0  -120  40 2


!strand 1:  residues 26-31
assign (resid  25 and name C  ) (resid  26 and name N  )
       (resid  26 and name CA ) (resid  26 and name C  )  1.0  -120  30 2
assign (resid  26 and name N  ) (resid  26 and name CA )
       (resid  26 and name C  ) (resid  27 and name N  )  1.0   120  40 2
assign (resid  26 and name C  ) (resid  27 and name N  )
       (resid  27 and name CA ) (resid  27 and name C  )  1.0  -120  30 2
assign (resid  27 and name N  ) (resid  27 and name CA )
       (resid  27 and name C  ) (resid  28 and name N  )  1.0   120  40 2
assign (resid  27 and name C  ) (resid  28 and name N  )
       (resid  28 and name CA ) (resid  28 and name C  )  1.0  -120  30 2
assign (resid  28 and name N  ) (resid  28 and name CA )
       (resid  28 and name C  ) (resid  29 and name N  )  1.0   120  40 2
assign (resid  28 and name C  ) (resid  29 and name N  )
       (resid  29 and name CA ) (resid  29 and name C  )  1.0  -120  30 2
assign (resid  29 and name N  ) (resid  29 and name CA )
       (resid  29 and name C  ) (resid  30 and name N  )  1.0   120  40 2
assign (resid  29 and name C  ) (resid  30 and name N  )
       (resid  30 and name CA ) (resid  30 and name C  )  1.0  -120  30 2
assign (resid  30 and name N  ) (resid  30 and name CA )
       (resid  30 and name C  ) (resid  31 and name N  )  1.0   120  40 2
assign (resid  30 and name C  ) (resid  31 and name N  )
       (resid  31 and name CA ) (resid  31 and name C  )  1.0  -120  30 2
assign (resid  31 and name N  ) (resid  31 and name CA )
       (resid  31 and name C  ) (resid  32 and name N  )  1.0   120  40 2

assign (resid  31 and name C  ) (resid  32 and name N  )
       (resid  32 and name CA ) (resid  32 and name C  )  1.0  -120  40 2
assign (resid  32 and name C  ) (resid  33 and name N  )
       (resid  33 and name CA ) (resid  33 and name C  )  1.0  -120  40 2
assign (resid 33 and name C  ) (resid 34 and name N  )
       (resid 34 and name CA ) (resid 34 and name C  )  1.0  -90  90 2
assign (resid  34 and name C  ) (resid  35 and name N  )
       (resid  35 and name CA ) (resid  35 and name C  )  1.0  -120  40 2

assign (resid  37 and name C  ) (resid  38 and name N  )
       (resid  38 and name CA ) (resid  38 and name C  )  1.0  -120  40 2

!strand 2:  residues 39-45
assign (resid  38 and name C  ) (resid  39 and name N  )
       (resid  39 and name CA ) (resid  39 and name C  )  1.0  -120  30 2
assign (resid  39 and name N  ) (resid  39 and name CA )
       (resid  39 and name C  ) (resid  40 and name N  )  1.0   120  40 2
assign (resid  39 and name C  ) (resid  40 and name N  )
       (resid  40 and name CA ) (resid  40 and name C  )  1.0  -120  30 2
assign (resid  40 and name N  ) (resid  40 and name CA )
       (resid  40 and name C  ) (resid  41 and name N  )  1.0   120  40 2
assign (resid  40 and name C  ) (resid  41 and name N  )
       (resid  41 and name CA ) (resid  41 and name C  )  1.0  -120  30 2
assign (resid  41 and name N  ) (resid  41 and name CA )
       (resid  41 and name C  ) (resid  42 and name N  )  1.0   120  40 2
assign (resid  41 and name C  ) (resid  42 and name N  )
       (resid  42 and name CA ) (resid  42 and name C  )  1.0  -120  30 2
assign (resid  42 and name N  ) (resid  42 and name CA )
       (resid  42 and name C  ) (resid  43 and name N  )  1.0   120  40 2
assign (resid  42 and name C  ) (resid  43 and name N  )
       (resid  43 and name CA ) (resid  43 and name C  )  1.0  -120  30 2
assign (resid  43 and name N  ) (resid  43 and name CA )
       (resid  43 and name C  ) (resid  44 and name N  )  1.0   120  40 2
assign (resid  43 and name C  ) (resid  44 and name N  )
       (resid  44 and name CA ) (resid  44 and name C  )  1.0  -120  30 2
assign (resid  44 and name N  ) (resid  44 and name CA )
       (resid  44 and name C  ) (resid  45 and name N  )  1.0   120  40 2
assign (resid  44 and name C  ) (resid  45 and name N  )
       (resid  45 and name CA ) (resid  45 and name C  )  1.0  -120  30 2
assign (resid  45 and name N  ) (resid  45 and name CA )
       (resid  45 and name C  ) (resid  46 and name N  )  1.0   120  40 2

!strand 3:  residues 50-54
assign (resid  49 and name C  ) (resid  50 and name N  )
       (resid  50 and name CA ) (resid  50 and name C  )  1.0  -120  30 2
assign (resid  50 and name N  ) (resid  50 and name CA )
       (resid  50 and name C  ) (resid  51 and name N  )  1.0   120  40 2
assign (resid  50 and name C  ) (resid  51 and name N  )
       (resid  51 and name CA ) (resid  51 and name C  )  1.0  -120  30 2
assign (resid  51 and name N  ) (resid  51 and name CA )
       (resid  51 and name C  ) (resid  52 and name N  )  1.0   120  40 2
assign (resid  51 and name C  ) (resid  52 and name N  )
       (resid  52 and name CA ) (resid  52 and name C  )  1.0  -120  30 2
assign (resid  52 and name N  ) (resid  52 and name CA )
       (resid  52 and name C  ) (resid  53 and name N  )  1.0   120  40 2
assign (resid  52 and name C  ) (resid  53 and name N  )
       (resid  53 and name CA ) (resid  53 and name C  )  1.0  -120  30 2
assign (resid  53 and name N  ) (resid  53 and name CA )
       (resid  53 and name C  ) (resid  54 and name N  )  1.0   120  40 2
assign (resid  53 and name C  ) (resid  54 and name N  )
       (resid  54 and name CA ) (resid  54 and name C  )  1.0  -120  30 2
assign (resid  54 and name N  ) (resid  54 and name CA )
       (resid  54 and name C  ) (resid  55 and name N  )  1.0   120  40 2

assign (resid  54 and name C  ) (resid  55 and name N  )
       (resid  55 and name CA ) (resid  55 and name C  )  1.0  -120  40 2
assign (resid  56 and name C  ) (resid  57 and name N  )
       (resid  57 and name CA ) (resid  57 and name C  )  1.0  -120  40 2
assign (resid  57 and name C  ) (resid  58 and name N  )
       (resid  58 and name CA ) (resid  58 and name C  )  1.0  -120  40 2

!Phi (top) and psi (bottom) angles for a-helix
!helix 59-69
assign (resid  58 and name C  ) (resid  59 and name N  )
       (resid  59 and name CA ) (resid  59 and name C  )  1.0  -60  30 2
assign (resid  59 and name N  ) (resid  59 and name CA )
       (resid  59 and name C  ) (resid  60 and name N  )  1.0  -40  40 2
assign (resid  59 and name C  ) (resid  60 and name N  )
       (resid  60 and name CA ) (resid  60 and name C  )  1.0  -60  30 2
assign (resid  60 and name N  ) (resid  60 and name CA )
       (resid  60 and name C  ) (resid  61 and name N  )  1.0  -40  40 2
assign (resid  60 and name C  ) (resid  61 and name N  )
       (resid  61 and name CA ) (resid  61 and name C  )  1.0  -60  30 2
assign (resid  61 and name N  ) (resid  61 and name CA )
       (resid  61 and name C  ) (resid  62 and name N  )  1.0  -40  40 2
assign (resid  61 and name C  ) (resid  62 and name N  )
       (resid  62 and name CA ) (resid  62 and name C  )  1.0  -60  30 2
assign (resid  62 and name N  ) (resid  62 and name CA )
       (resid  62 and name C  ) (resid  63 and name N  )  1.0  -40  40 2
assign (resid  62 and name C  ) (resid  63 and name N  )
       (resid  63 and name CA ) (resid  63 and name C  )  1.0  -60  30 2
assign (resid  63 and name N  ) (resid  63 and name CA )
       (resid  63 and name C  ) (resid  64 and name N  )  1.0  -40  40 2
assign (resid  63 and name C  ) (resid  64 and name N  )
       (resid  64 and name CA ) (resid  64 and name C  )  1.0  -60  30 2
assign (resid  64 and name N  ) (resid  64 and name CA )
       (resid  64 and name C  ) (resid  65 and name N  )  1.0  -40  40 2
assign (resid  64 and name C  ) (resid  65 and name N  )
       (resid  65 and name CA ) (resid  65 and name C  )  1.0  -60  30 2
assign (resid  65 and name N  ) (resid  65 and name CA )
       (resid  65 and name C  ) (resid  66 and name N  )  1.0  -40  40 2
assign (resid  65 and name C  ) (resid  66 and name N  )
       (resid  66 and name CA ) (resid  66 and name C  )  1.0  -60  30 2
assign (resid  66 and name N  ) (resid  66 and name CA )
       (resid  66 and name C  ) (resid  67 and name N  )  1.0  -40  40 2
assign (resid  66 and name C  ) (resid  67 and name N  )
       (resid  67 and name CA ) (resid  67 and name C  )  1.0  -60  30 2
assign (resid  67 and name N  ) (resid  67 and name CA )
       (resid  67 and name C  ) (resid  68 and name N  )  1.0  -40  40 2
assign (resid  67 and name C  ) (resid  68 and name N  )
       (resid  68 and name CA ) (resid  68 and name C  )  1.0  -60  30 2
assign (resid  68 and name N  ) (resid  68 and name CA )
       (resid  68 and name C  ) (resid  69 and name N  )  1.0  -40  40 2
assign (resid  68 and name C  ) (resid  69 and name N  )
       (resid  69 and name CA ) (resid  69 and name C  )  1.0  -60  30 2
assign (resid  69 and name N  ) (resid  69 and name CA )
       (resid  69 and name C  ) (resid  70 and name N  )  1.0  -40  40 2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    VAL   7           H        VAL   7  17.656   3.453  -4.371
    2    HA   VAL   7           HA       VAL   7  16.015   1.351  -5.578
    3    HB   VAL   7           HB       VAL   7  15.321   0.753  -3.146
    4   1HG1  VAL   7          1HG1      VAL   7  17.946  -0.145  -4.329
    5   2HG1  VAL   7          2HG1      VAL   7  16.352  -0.816  -4.677
    6   3HG1  VAL   7          3HG1      VAL   7  17.052  -0.996  -3.068
    7   1HG2  VAL   7          1HG2      VAL   7  17.306   2.639  -2.597
    8   2HG2  VAL   7          2HG2      VAL   7  18.027   1.076  -2.213
    9   3HG2  VAL   7          3HG2      VAL   7  16.512   1.559  -1.450
   10    H    ARG   8           H        ARG   8  14.474   2.690  -6.356
   11    HA   ARG   8           HA       ARG   8  12.619   3.816  -4.480
   12   1HB   ARG   8          1HB       ARG   8  14.634   5.512  -5.561
   13   2HB   ARG   8          2HB       ARG   8  13.107   5.956  -6.310
   14   1HG   ARG   8          2HG       ARG   8  12.250   6.783  -4.398
   15   2HG   ARG   8          1HG       ARG   8  13.041   5.568  -3.390
   16   1HD   ARG   8          1HD       ARG   8  14.470   7.878  -4.696
   17   2HD   ARG   8          2HD       ARG   8  13.868   7.896  -3.039
   18   1HH1  ARG   8          1HH1      ARG   8  13.752   6.491  -1.559
   19   2HH1  ARG   8          2HH1      ARG   8  14.738   5.641  -0.417
   20   1HH2  ARG   8          2HH2      ARG   8  17.535   5.486  -2.509
   21   2HH2  ARG   8          1HH2      ARG   8  16.889   5.070  -0.957
   22    H    CYS   9           H        CYS   9  10.588   3.927  -5.333
   23    HA   CYS   9           HA       CYS   9  10.275   2.824  -8.010
   24   1HB   CYS   9          1HB       CYS   9   7.725   3.146  -7.253
   25   2HB   CYS   9          2HB       CYS   9   8.664   1.729  -6.851
   26    H    THR  10           H        THR  10   8.110   3.797  -9.091
   27    HA   THR  10           HA       THR  10   8.566   6.701  -9.268
   28    HB   THR  10           HB       THR  10   7.971   6.488 -11.678
   29    HG1  THR  10           HG1      THR  10   6.949   4.324 -11.231
   30   1HG2  THR  10          1HG2      THR  10  10.046   5.744 -12.455
   31   2HG2  THR  10          2HG2      THR  10  10.262   4.657 -11.082
   32   3HG2  THR  10          3HG2      THR  10  10.359   6.403 -10.849
   33    H    CYS  11           H        CYS  11   6.777   6.392  -7.524
   34    HA   CYS  11           HA       CYS  11   4.185   6.605  -8.906
   35   1HB   CYS  11          2HB       CYS  11   4.814   5.323  -6.248
   36   2HB   CYS  11          1HB       CYS  11   3.183   5.826  -6.687
   37    H    ILE  12           H        ILE  12   3.948   8.760  -9.030
   38    HA   ILE  12           HA       ILE  12   4.918  10.741  -7.435
   39    HB   ILE  12           HB       ILE  12   2.182  10.763  -8.709
   40   1HG1  ILE  12          2HG1      ILE  12   4.921  11.433  -9.807
   41   2HG1  ILE  12          1HG1      ILE  12   3.828  10.172 -10.370
   42   1HG2  ILE  12          1HG2      ILE  12   1.990  12.843  -7.970
   43   2HG2  ILE  12          2HG2      ILE  12   3.502  13.281  -8.766
   44   3HG2  ILE  12          3HG2      ILE  12   3.521  12.675  -7.110
   45   1HD1  ILE  12          1HD1      ILE  12   2.862  11.574 -11.774
   46   2HD1  ILE  12          2HD1      ILE  12   4.060  12.787 -11.321
   47   3HD1  ILE  12          3HD1      ILE  12   2.515  12.712 -10.473
   48    H    SER  13           H        SER  13   1.551   9.582  -7.128
   49    HA   SER  13           HA       SER  13   1.686  10.305  -4.277
   50   1HB   SER  13          2HB       SER  13  -0.638  10.338  -6.208
   51   2HB   SER  13          1HB       SER  13  -0.840  10.479  -4.462
   52    HG   SER  13           HG       SER  13   0.324  12.376  -4.496
   53    H    ILE  14           H        ILE  14   1.763   8.628  -2.951
   54    HA   ILE  14           HA       ILE  14   0.861   6.009  -3.850
   55    HB   ILE  14           HB       ILE  14   1.851   5.169  -1.754
   56   1HG1  ILE  14          2HG1      ILE  14   2.805   8.004  -1.313
   57   2HG1  ILE  14          1HG1      ILE  14   1.428   7.303  -0.468
   58   1HG2  ILE  14          1HG2      ILE  14   3.373   6.702  -3.775
   59   2HG2  ILE  14          2HG2      ILE  14   3.438   4.989  -3.360
   60   3HG2  ILE  14          3HG2      ILE  14   4.253   6.175  -2.341
   61   1HD1  ILE  14          1HD1      ILE  14   4.183   6.114  -0.385
   62   2HD1  ILE  14          2HD1      ILE  14   2.799   5.724   0.636
   63   3HD1  ILE  14          3HD1      ILE  14   3.592   7.292   0.787
   64    H    SER  15           H        SER  15  -0.472   4.658  -2.421
   65    HA   SER  15           HA       SER  15  -2.438   6.283  -0.947
   66   1HB   SER  15          2HB       SER  15  -3.369   5.385  -3.031
   67   2HB   SER  15          1HB       SER  15  -2.921   3.751  -2.538
   68    HG   SER  15           HG       SER  15  -4.460   3.775  -1.002
   69    H    ASN  16           H        ASN  16  -1.353   5.971   1.033
   70    HA   ASN  16           HA       ASN  16  -1.680   3.260   2.140
   71   1HB   ASN  16          1HB       ASN  16   0.190   3.900   3.733
   72   2HB   ASN  16          2HB       ASN  16   0.667   3.629   2.061
   73   1HD2  ASN  16          1HD2      ASN  16   1.794   5.263   4.309
   74   2HD2  ASN  16          2HD2      ASN  16   2.015   6.837   3.632
   75    H    GLN  17           H        GLN  17  -3.437   5.689   2.037
   76    HA   GLN  17           HA       GLN  17  -3.729   6.194   4.918
   77   1HB   GLN  17          2HB       GLN  17  -4.375   8.326   4.464
   78   2HB   GLN  17          1HB       GLN  17  -3.413   8.045   3.027
   79   1HG   GLN  17          1HG       GLN  17  -5.388   7.576   1.734
   80   2HG   GLN  17          2HG       GLN  17  -6.400   7.739   3.169
   81   1HE2  GLN  17          1HE2      GLN  17  -4.529   9.400   0.771
   82   2HE2  GLN  17          2HE2      GLN  17  -5.089  10.993   1.139
   83    HA   PRO  18           HA       PRO  18  -7.746   4.570   5.645
   84   1HB   PRO  18          2HB       PRO  18  -9.013   7.091   4.629
   85   2HB   PRO  18          1HB       PRO  18  -9.453   6.105   6.030
   86   1HG   PRO  18          1HG       PRO  18  -8.004   8.318   6.338
   87   2HG   PRO  18          2HG       PRO  18  -7.664   6.868   7.296
   88   1HD   PRO  18          2HD       PRO  18  -6.142   8.066   5.071
   89   2HD   PRO  18          1HD       PRO  18  -5.571   7.032   6.391
   90    H    VAL  19           H        VAL  19  -7.352   6.178   2.534
   91    HA   VAL  19           HA       VAL  19  -9.460   4.627   1.321
   92    HB   VAL  19           HB       VAL  19  -8.493   5.636  -0.837
   93   1HG1  VAL  19          1HG2      VAL  19  -9.451   7.949  -0.097
   94   2HG1  VAL  19          2HG2      VAL  19  -9.858   7.084   1.386
   95   3HG1  VAL  19          3HG2      VAL  19 -10.503   6.533  -0.162
   96   1HG2  VAL  19          1HG1      VAL  19  -6.838   7.173  -0.766
   97   2HG2  VAL  19          2HG1      VAL  19  -6.378   6.277   0.684
   98   3HG2  VAL  19          3HG1      VAL  19  -7.311   7.767   0.827
   99    H    ASN  20           H        ASN  20  -8.041   2.747   2.329
  100    HA   ASN  20           HA       ASN  20  -5.908   1.774   0.696
  101   1HB   ASN  20          2HB       ASN  20  -7.667   0.249   2.632
  102   2HB   ASN  20          1HB       ASN  20  -6.099  -0.251   2.033
  103   1HD2  ASN  20          1HD2      ASN  20  -4.528   1.852   2.252
  104   2HD2  ASN  20          2HD2      ASN  20  -4.405   2.388   3.890
  105    HA   PRO  21           HA       PRO  21  -7.519  -0.301  -2.745
  106   1HB   PRO  21          1HB       PRO  21  -7.215  -2.929  -1.368
  107   2HB   PRO  21          2HB       PRO  21  -6.761  -2.446  -3.021
  108   1HG   PRO  21          2HG       PRO  21  -4.982  -2.531  -0.956
  109   2HG   PRO  21          1HG       PRO  21  -4.847  -1.415  -2.311
  110   1HD   PRO  21          2HD       PRO  21  -5.417  -0.866   0.470
  111   2HD   PRO  21          1HD       PRO  21  -4.980   0.255  -0.825
  112    H    ARG  22           H        ARG  22  -9.136  -0.981   0.316
  113    HA   ARG  22           HA       ARG  22 -11.382  -2.401  -0.383
  114   1HB   ARG  22          2HB       ARG  22 -10.942  -1.265   1.834
  115   2HB   ARG  22          1HB       ARG  22 -11.486   0.236   1.096
  116   1HG   ARG  22          2HG       ARG  22 -13.509  -0.317   1.831
  117   2HG   ARG  22          1HG       ARG  22 -13.534  -1.502   0.523
  118   1HD   ARG  22          1HD       ARG  22 -12.410  -2.094   3.250
  119   2HD   ARG  22          2HD       ARG  22 -14.100  -2.373   2.828
  120   1HH1  ARG  22          1HH1      ARG  22 -14.920  -2.839   0.898
  121   2HH1  ARG  22          2HH1      ARG  22 -15.169  -4.206  -0.136
  122   1HH2  ARG  22          2HH2      ARG  22 -12.210  -5.818   0.800
  123   2HH2  ARG  22          1HH2      ARG  22 -13.628  -5.900  -0.192
  124    H    SER  23           H        SER  23 -10.388   0.785  -1.288
  125    HA   SER  23           HA       SER  23 -12.553   1.054  -3.247
  126   1HB   SER  23          1HB       SER  23 -11.839   3.340  -3.519
  127   2HB   SER  23          2HB       SER  23 -11.895   3.053  -1.781
  128    HG   SER  23           HG       SER  23  -9.849   3.474  -1.709
  129    H    LEU  24           H        LEU  24 -11.878  -0.530  -4.701
  130    HA   LEU  24           HA       LEU  24  -9.306  -0.058  -6.074
  131   1HB   LEU  24          2HB       LEU  24  -8.635  -1.706  -4.510
  132   2HB   LEU  24          1HB       LEU  24 -10.075  -2.666  -4.789
  133    HG   LEU  24           HG       LEU  24  -8.563  -2.331  -7.236
  134   1HD1  LEU  24          1HD2      LEU  24  -7.066  -3.952  -5.227
  135   2HD1  LEU  24          2HD2      LEU  24  -6.789  -2.212  -5.304
  136   3HD1  LEU  24          3HD2      LEU  24  -6.502  -3.214  -6.727
  137   1HD2  LEU  24          1HD1      LEU  24  -8.530  -4.945  -6.777
  138   2HD2  LEU  24          2HD1      LEU  24  -9.977  -4.102  -7.332
  139   3HD2  LEU  24          3HD1      LEU  24  -9.784  -4.492  -5.623
  140    H    GLU  25           H        GLU  25  -9.348  -0.555  -8.253
  141    HA   GLU  25           HA       GLU  25 -11.683  -1.993  -9.286
  142   1HB   GLU  25          1HB       GLU  25 -11.992   0.664  -9.090
  143   2HB   GLU  25          2HB       GLU  25 -11.171   0.607 -10.643
  144   1HG   GLU  25          2HG       GLU  25 -12.873  -0.711 -11.607
  145   2HG   GLU  25          1HG       GLU  25 -13.611  -1.033 -10.039
  146    H    LYS  26           H        LYS  26  -9.331   0.218 -10.756
  147    HA   LYS  26           HA       LYS  26  -8.569  -1.953 -12.581
  148   1HB   LYS  26          2HB       LYS  26  -7.881   0.916 -13.092
  149   2HB   LYS  26          1HB       LYS  26  -8.156  -0.383 -14.243
  150   1HG   LYS  26          1HG       LYS  26 -10.570  -0.325 -13.641
  151   2HG   LYS  26          2HG       LYS  26 -10.241   1.096 -12.645
  152   1HD   LYS  26          2HD       LYS  26  -9.913   0.819 -15.633
  153   2HD   LYS  26          1HD       LYS  26 -11.057   1.847 -14.768
  154   1HE   LYS  26          1HE       LYS  26  -9.151   3.107 -13.826
  155   2HE   LYS  26          2HE       LYS  26  -8.055   2.125 -14.796
  156   1HZ   LYS  26          1HZ       LYS  26  -8.457   4.164 -15.919
  157   2HZ   LYS  26          2HZ       LYS  26 -10.127   4.000 -15.773
  158   1HN   MLE  27          1HM       LEM  27  -8.030  -3.212 -10.372
  159   2HN   MLE  27          2HM       LEM  27  -6.504  -4.026 -10.701
  160   3HN   MLE  27          3HM       LEM  27  -7.485  -3.428 -12.035
  161    HA   MLE  27           HA       LEM  27  -4.855  -1.033 -10.360
  162   1HB   MLE  27          1HB       LEM  27  -4.908  -3.319  -8.629
  163   2HB   MLE  27          2HB       LEM  27  -6.491  -2.569  -8.658
  164    HG   MLE  27           HG       LEM  27  -4.286  -0.682  -8.348
  165   1HD1  MLE  27          1HD1      LEM  27  -6.271   0.329  -7.928
  166   2HD1  MLE  27          2HD1      LEM  27  -5.921  -0.241  -6.297
  167   3HD1  MLE  27          3HD1      LEM  27  -7.023  -1.149  -7.331
  168   1HD2  MLE  27          1HD2      LEM  27  -3.869  -2.998  -7.038
  169   2HD2  MLE  27          2HD2      LEM  27  -4.849  -2.125  -5.867
  170   3HD2  MLE  27          3HD2      LEM  27  -3.345  -1.420  -6.465
  171    H    GLU  28           H        GLU  28  -3.379  -1.402 -11.867
  172    HA   GLU  28           HA       GLU  28  -2.741  -4.124 -12.686
  173   1HB   GLU  28          2HB       GLU  28  -2.825  -2.554 -14.484
  174   2HB   GLU  28          1HB       GLU  28  -1.813  -1.410 -13.618
  175   1HG   GLU  28          1HG       GLU  28  -0.768  -2.698 -15.518
  176   2HG   GLU  28          2HG       GLU  28   0.114  -2.667 -13.991
  177    H    ILE  29           H        ILE  29  -1.533  -5.191 -11.221
  178    HA   ILE  29           HA       ILE  29   0.444  -3.776  -9.653
  179    HB   ILE  29           HB       ILE  29   0.707  -5.808  -8.396
  180   1HG1  ILE  29          1HG1      ILE  29  -0.967  -7.730  -9.193
  181   2HG1  ILE  29          2HG1      ILE  29  -0.632  -7.018 -10.769
  182   1HG2  ILE  29          1HG2      ILE  29  -1.804  -6.276  -7.912
  183   2HG2  ILE  29          2HG2      ILE  29  -2.081  -4.946  -9.040
  184   3HG2  ILE  29          3HG2      ILE  29  -1.128  -4.685  -7.577
  185   1HD1  ILE  29          1HD1      ILE  29   1.072  -8.639  -9.031
  186   2HD1  ILE  29          2HD1      ILE  29   1.869  -7.241  -9.756
  187   3HD1  ILE  29          3HD1      ILE  29   1.087  -8.443 -10.784
  188    H    ILE  30           H        ILE  30   2.607  -4.002  -9.710
  189    HA   ILE  30           HA       ILE  30   3.781  -5.803 -11.714
  190    HB   ILE  30           HB       ILE  30   5.435  -3.453 -11.280
  191   1HG1  ILE  30          1HG1      ILE  30   2.804  -3.008 -12.715
  192   2HG1  ILE  30          2HG1      ILE  30   3.217  -2.331 -11.147
  193   1HG2  ILE  30          1HG2      ILE  30   4.633  -3.805 -13.985
  194   2HG2  ILE  30          2HG2      ILE  30   4.894  -5.392 -13.262
  195   3HG2  ILE  30          3HG2      ILE  30   6.181  -4.186 -13.229
  196   1HD1  ILE  30          1HD1      ILE  30   4.063  -1.519 -13.833
  197   2HD1  ILE  30          2HD1      ILE  30   5.312  -1.473 -12.588
  198   3HD1  ILE  30          3HD1      ILE  30   3.819  -0.559 -12.373
  199    HA   PRO  31           HA       PRO  31   6.392  -6.899  -8.332
  200   1HB   PRO  31          2HB       PRO  31   8.435  -8.084  -9.605
  201   2HB   PRO  31          1HB       PRO  31   6.799  -8.746  -9.654
  202   1HG   PRO  31          1HG       PRO  31   8.324  -7.320 -11.751
  203   2HG   PRO  31          2HG       PRO  31   7.032  -8.518 -11.918
  204   1HD   PRO  31          1HD       PRO  31   6.812  -5.683 -12.109
  205   2HD   PRO  31          2HD       PRO  31   5.499  -6.876 -12.169
  206    H    ALA  32           H        ALA  32   6.968  -4.805  -7.503
  207    HA   ALA  32           HA       ALA  32   9.361  -3.520  -8.503
  208   1HB   ALA  32          1HB       ALA  32   8.127  -2.739  -5.905
  209   2HB   ALA  32          2HB       ALA  32   7.237  -2.424  -7.395
  210   3HB   ALA  32          3HB       ALA  32   8.844  -1.735  -7.160
  211    H    SER  33           H        SER  33  11.378  -3.855  -7.772
  212    HA   SER  33           HA       SER  33  11.895  -4.725  -5.084
  213   1HB   SER  33          1HB       SER  33  11.708  -6.684  -7.219
  214   2HB   SER  33          2HB       SER  33  13.316  -6.678  -6.495
  215    HG   SER  33           HG       SER  33  12.447  -7.158  -4.539
  216    H    GLN  34           H        GLN  34  13.432  -4.775  -8.307
  217    HA   GLN  34           HA       GLN  34  16.031  -4.334  -7.576
  218   1HB   GLN  34          2HB       GLN  34  16.390  -3.387  -9.794
  219   2HB   GLN  34          1HB       GLN  34  15.309  -4.771  -9.885
  220   1HG   GLN  34          2HG       GLN  34  13.390  -3.213  -9.956
  221   2HG   GLN  34          1HG       GLN  34  14.529  -1.868  -9.994
  222   1HE2  GLN  34          2HE2      GLN  34  12.528  -2.669 -11.955
  223   2HE2  GLN  34          1HE2      GLN  34  13.383  -2.937 -13.432
  224    H    PHE  35           H        PHE  35  13.506  -1.900  -8.026
  225    HA   PHE  35           HA       PHE  35  15.345   0.126  -6.947
  226   1HB   PHE  35          2HB       PHE  35  12.772   0.529  -8.488
  227   2HB   PHE  35          1HB       PHE  35  13.876   1.795  -7.964
  228    HD1  PHE  35           HD1      PHE  35  16.484   0.793  -8.644
  229    HD2  PHE  35           HD2      PHE  35  12.824   0.459 -10.789
  230    HE1  PHE  35           HE1      PHE  35  17.742   0.584 -10.749
  231    HE2  PHE  35           HE2      PHE  35  14.074   0.249 -12.898
  232    HZ   PHE  35           HZ       PHE  35  16.537   0.311 -12.880
  233    H    CYS  36           H        CYS  36  11.885  -0.736  -6.860
  234    HA   CYS  36           HA       CYS  36  11.833   0.217  -4.075
  235   1HB   CYS  36          1HB       CYS  36  10.357   1.260  -6.088
  236   2HB   CYS  36          2HB       CYS  36   9.272  -0.014  -5.541
  237    HA   PRO  37           HA       PRO  37  10.971  -4.185  -3.417
  238   1HB   PRO  37          2HB       PRO  37  11.220  -4.172  -0.753
  239   2HB   PRO  37          1HB       PRO  37  12.638  -3.980  -1.799
  240   1HG   PRO  37          2HG       PRO  37  10.954  -1.838  -0.522
  241   2HG   PRO  37          1HG       PRO  37  12.711  -2.062  -0.388
  242   1HD   PRO  37          2HD       PRO  37  11.684  -0.337  -2.135
  243   2HD   PRO  37          1HD       PRO  37  13.069  -1.356  -2.588
  244    H    ARG  38           H        ARG  38   8.711  -3.279  -4.148
  245    HA   ARG  38           HA       ARG  38   6.805  -4.137  -2.190
  246   1HB   ARG  38          1HB       ARG  38   5.772  -1.603  -3.088
  247   2HB   ARG  38          2HB       ARG  38   5.965  -2.199  -1.449
  248   1HG   ARG  38          2HG       ARG  38   8.373  -1.131  -2.822
  249   2HG   ARG  38          1HG       ARG  38   7.136   0.006  -2.291
  250   1HD   ARG  38          2HD       ARG  38   7.641  -1.907  -0.221
  251   2HD   ARG  38          1HD       ARG  38   9.158  -1.182  -0.748
  252   1HH1  ARG  38          2HH1      ARG  38   9.418  -1.263   1.328
  253   2HH1  ARG  38          1HH1      ARG  38   9.561  -0.212   2.697
  254   1HH2  ARG  38          1HH2      ARG  38   7.328   2.178   1.461
  255   2HH2  ARG  38          2HH2      ARG  38   8.372   1.745   2.772
  256    H    VAL  39           H        VAL  39   4.499  -3.029  -3.378
  257    HA   VAL  39           HA       VAL  39   4.544  -4.439  -5.943
  258    HB   VAL  39           HB       VAL  39   1.979  -3.409  -4.791
  259   1HG1  VAL  39          1HG2      VAL  39   2.822  -5.797  -6.425
  260   2HG1  VAL  39          2HG2      VAL  39   1.843  -4.422  -6.934
  261   3HG1  VAL  39          3HG2      VAL  39   1.196  -5.585  -5.777
  262   1HG2  VAL  39          1HG1      VAL  39   1.718  -5.343  -3.377
  263   2HG2  VAL  39          2HG1      VAL  39   3.196  -4.503  -2.906
  264   3HG2  VAL  39          3HG1      VAL  39   3.288  -5.976  -3.872
  265    H    GLU  40           H        GLU  40   4.584  -3.330  -7.785
  266    HA   GLU  40           HA       GLU  40   4.225  -0.437  -7.715
  267   1HB   GLU  40          1HB       GLU  40   5.366  -2.403  -9.653
  268   2HB   GLU  40          2HB       GLU  40   4.700  -0.912 -10.305
  269   1HG   GLU  40          1HG       GLU  40   6.561  -0.660  -8.030
  270   2HG   GLU  40          2HG       GLU  40   7.237  -1.165  -9.578
  271    H    ILE  41           H        ILE  41   2.353   0.546  -8.383
  272    HA   ILE  41           HA       ILE  41   0.511  -1.029  -9.975
  273    HB   ILE  41           HB       ILE  41   0.130  -1.693  -7.636
  274   1HG1  ILE  41          2HG1      ILE  41  -2.422  -0.589  -7.935
  275   2HG1  ILE  41          1HG1      ILE  41  -1.785  -0.733  -9.569
  276   1HG2  ILE  41          1HG2      ILE  41  -0.059  -0.236  -5.983
  277   2HG2  ILE  41          2HG2      ILE  41  -1.361   0.611  -6.818
  278   3HG2  ILE  41          3HG2      ILE  41   0.318   1.042  -7.136
  279   1HD1  ILE  41          1HD1      ILE  41  -3.026  -2.710  -8.929
  280   2HD1  ILE  41          2HD1      ILE  41  -1.959  -2.946  -7.550
  281   3HD1  ILE  41          3HD1      ILE  41  -1.325  -3.089  -9.190
  282    H    ILE  42           H        ILE  42  -0.874   0.013 -11.151
  283    HA   ILE  42           HA       ILE  42  -1.175   2.916 -10.790
  284    HB   ILE  42           HB       ILE  42  -2.036   1.358 -13.223
  285   1HG1  ILE  42          2HG1      ILE  42   0.468   3.038 -13.052
  286   2HG1  ILE  42          1HG1      ILE  42   0.495   1.304 -12.746
  287   1HG2  ILE  42          1HG2      ILE  42  -3.092   3.296 -13.579
  288   2HG2  ILE  42          2HG2      ILE  42  -1.498   3.979 -13.901
  289   3HG2  ILE  42          3HG2      ILE  42  -2.203   4.106 -12.286
  290   1HD1  ILE  42          1HD1      ILE  42   0.606   0.894 -14.910
  291   2HD1  ILE  42          2HD1      ILE  42   0.678   2.630 -15.209
  292   3HD1  ILE  42          3HD1      ILE  42  -0.879   1.802 -15.195
  293    H    ALA  43           H        ALA  43  -2.592   2.654  -9.089
  294    HA   ALA  43           HA       ALA  43  -4.821   0.860  -9.321
  295   1HB   ALA  43          1HB       ALA  43  -5.266   1.691  -6.969
  296   2HB   ALA  43          2HB       ALA  43  -3.785   2.631  -7.134
  297   3HB   ALA  43          3HB       ALA  43  -3.728   0.870  -7.237
  298    H    THR  44           H        THR  44  -6.746   1.302  -9.960
  299    HA   THR  44           HA       THR  44  -7.758   4.055  -9.737
  300    HB   THR  44           HB       THR  44  -8.679   1.841 -11.585
  301    HG1  THR  44           HG1      THR  44  -6.932   2.769 -12.494
  302   1HG2  THR  44          1HG2      THR  44  -9.684   4.560 -12.001
  303   2HG2  THR  44          2HG2      THR  44 -10.328   3.725 -10.586
  304   3HG2  THR  44          3HG2      THR  44 -10.491   3.003 -12.187
  305    H    MET  45           H        MET  45  -9.213   4.301  -8.136
  306    HA   MET  45           HA       MET  45  -9.941   1.943  -6.669
  307   1HB   MET  45          2HB       MET  45 -10.837   4.718  -5.965
  308   2HB   MET  45          1HB       MET  45 -10.503   3.364  -4.899
  309   1HG   MET  45          1HG       MET  45  -8.562   5.149  -6.303
  310   2HG   MET  45          2HG       MET  45  -8.755   4.861  -4.575
  311   1HE   MET  45          1HE       MET  45  -5.309   3.657  -6.312
  312   2HE   MET  45          2HE       MET  45  -5.615   4.144  -4.645
  313   3HE   MET  45          3HE       MET  45  -6.261   5.103  -5.977
  314    H    LYS  46           H        LYS  46 -11.768   0.923  -6.609
  315    HA   LYS  46           HA       LYS  46 -14.143   2.015  -7.912
  316   1HB   LYS  46          1HB       LYS  46 -13.359  -0.454  -8.210
  317   2HB   LYS  46          2HB       LYS  46 -13.992  -0.684  -6.590
  318   1HG   LYS  46          2HG       LYS  46 -16.157   0.345  -7.518
  319   2HG   LYS  46          1HG       LYS  46 -15.460   0.004  -9.104
  320   1HD   LYS  46          1HD       LYS  46 -16.592  -1.949  -8.768
  321   2HD   LYS  46          2HD       LYS  46 -15.056  -2.373  -8.009
  322   1HE   LYS  46          2HE       LYS  46 -15.919  -2.313  -5.904
  323   2HE   LYS  46          1HE       LYS  46 -17.101  -1.068  -6.307
  324   1HZ   LYS  46          1HZ       LYS  46 -18.506  -2.639  -7.296
  325   2HZ   LYS  46          2HZ       LYS  46 -18.021  -3.323  -5.834
  326    H    LYS  47           H        LYS  47 -14.871   3.469  -6.571
  327    HA   LYS  47           HA       LYS  47 -16.177   2.977  -4.181
  328   1HB   LYS  47          2HB       LYS  47 -13.656   2.639  -3.551
  329   2HB   LYS  47          1HB       LYS  47 -13.595   4.390  -3.588
  330   1HG   LYS  47          2HG       LYS  47 -15.102   2.581  -1.741
  331   2HG   LYS  47          1HG       LYS  47 -13.970   3.878  -1.357
  332   1HD   LYS  47          2HD       LYS  47 -15.616   5.521  -2.191
  333   2HD   LYS  47          1HD       LYS  47 -16.756   4.202  -2.467
  334   1HE   LYS  47          1HE       LYS  47 -15.792   3.961   0.183
  335   2HE   LYS  47          2HE       LYS  47 -16.241   5.647  -0.066
  336   1HZ   LYS  47          1HZ       LYS  47 -18.206   3.973  -1.179
  337   2HZ   LYS  47          2HZ       LYS  47 -17.914   3.482   0.406
  338    H    LYS  48           H        LYS  48 -14.220   5.159  -6.079
  339    HA   LYS  48           HA       LYS  48 -16.322   7.108  -6.172
  340   1HB   LYS  48          1HB       LYS  48 -15.122   7.482  -3.975
  341   2HB   LYS  48          2HB       LYS  48 -13.707   7.937  -4.918
  342   1HG   LYS  48          2HG       LYS  48 -14.827   9.931  -4.258
  343   2HG   LYS  48          1HG       LYS  48 -15.065   9.718  -5.994
  344   1HD   LYS  48          2HD       LYS  48 -17.275   8.609  -5.397
  345   2HD   LYS  48          1HD       LYS  48 -17.032   9.243  -3.768
  346   1HE   LYS  48          1HE       LYS  48 -16.638  11.497  -5.072
  347   2HE   LYS  48          2HE       LYS  48 -17.600  10.687  -6.309
  348   1HZ   LYS  48          1HZ       LYS  48 -19.295  11.536  -5.158
  349   2HZ   LYS  48          2HZ       LYS  48 -19.062  10.206  -4.150
  350    H    GLY  49           H        GLY  49 -14.654   5.446  -7.953
  351   1HA   GLY  49          1HA       GLY  49 -13.426   5.605  -9.896
  352   2HA   GLY  49          2HA       GLY  49 -14.406   7.041 -10.148
  353    H    GLU  50           H        GLU  50 -11.562   6.057  -8.221
  354    HA   GLU  50           HA       GLU  50 -10.314   8.614  -9.016
  355   1HB   GLU  50          1HB       GLU  50 -10.938   7.964  -6.482
  356   2HB   GLU  50          2HB       GLU  50  -9.342   7.234  -6.577
  357   1HG   GLU  50          1HG       GLU  50  -8.609   9.529  -7.511
  358   2HG   GLU  50          2HG       GLU  50 -10.118  10.108  -6.809
  359    H    LYS  51           H        LYS  51  -8.044   8.627  -9.384
  360    HA   LYS  51           HA       LYS  51  -6.910   5.971  -9.989
  361   1HB   LYS  51          1HB       LYS  51  -7.570   7.575 -11.937
  362   2HB   LYS  51          2HB       LYS  51  -6.113   8.449 -11.484
  363   1HG   LYS  51          2HG       LYS  51  -4.731   6.834 -12.266
  364   2HG   LYS  51          1HG       LYS  51  -5.855   5.529 -11.879
  365   1HD   LYS  51          2HD       LYS  51  -5.697   5.695 -14.263
  366   2HD   LYS  51          1HD       LYS  51  -7.284   6.294 -13.775
  367   1HE   LYS  51          2HE       LYS  51  -5.187   8.341 -13.899
  368   2HE   LYS  51          1HE       LYS  51  -5.576   7.593 -15.448
  369   1HZ   LYS  51          1HZ       LYS  51  -6.888   9.628 -14.783
  370   2HZ   LYS  51          2HZ       LYS  51  -7.657   8.656 -13.641
  371    H    ARG  52           H        ARG  52  -5.008   5.501  -9.082
  372    HA   ARG  52           HA       ARG  52  -3.177   7.598  -8.259
  373   1HB   ARG  52          1HB       ARG  52  -4.981   6.937  -6.420
  374   2HB   ARG  52          2HB       ARG  52  -3.866   5.604  -6.152
  375   1HG   ARG  52          2HG       ARG  52  -2.756   6.969  -4.797
  376   2HG   ARG  52          1HG       ARG  52  -2.228   7.831  -6.243
  377   1HD   ARG  52          1HD       ARG  52  -4.896   8.612  -5.423
  378   2HD   ARG  52          2HD       ARG  52  -3.711   8.870  -4.143
  379   1HH1  ARG  52          2HH2      ARG  52  -5.268  10.548  -4.330
  380   2HH1  ARG  52          1HH2      ARG  52  -5.288  12.245  -4.678
  381   1HH2  ARG  52          1HH1      ARG  52  -2.664  12.098  -6.983
  382   2HH2  ARG  52          2HH1      ARG  52  -3.808  13.126  -6.186
  383    H    CYS  53           H        CYS  53  -1.109   6.740  -7.481
  384    HA   CYS  53           HA       CYS  53  -0.532   4.052  -8.571
  385   1HB   CYS  53          2HB       CYS  53   0.594   5.987  -9.737
  386   2HB   CYS  53          1HB       CYS  53   1.436   6.330  -8.229
  387    H    LEU  54           H        LEU  54  -0.625   2.755  -6.841
  388    HA   LEU  54           HA       LEU  54   0.380   3.685  -4.277
  389   1HB   LEU  54          2HB       LEU  54  -0.788   0.973  -4.597
  390   2HB   LEU  54          1HB       LEU  54  -0.956   2.119  -3.281
  391    HG   LEU  54           HG       LEU  54  -2.433   2.055  -5.896
  392   1HD1  LEU  54          1HD2      LEU  54  -4.023   1.157  -4.647
  393   2HD1  LEU  54          2HD2      LEU  54  -4.052   2.610  -3.649
  394   3HD1  LEU  54          3HD2      LEU  54  -2.989   1.271  -3.222
  395   1HD2  LEU  54          1HD1      LEU  54  -3.439   4.225  -4.590
  396   2HD2  LEU  54          2HD1      LEU  54  -2.307   4.290  -5.941
  397   3HD2  LEU  54          3HD1      LEU  54  -1.709   4.385  -4.284
  398    H    ASN  55           H        ASN  55   1.554   2.193  -2.879
  399    HA   ASN  55           HA       ASN  55   3.274   0.255  -4.165
  400   1HB   ASN  55          2HB       ASN  55   4.193   2.924  -3.534
  401   2HB   ASN  55          1HB       ASN  55   5.049   1.739  -2.552
  402   1HD2  ASN  55          1HD2      ASN  55   4.916   3.276  -5.507
  403   2HD2  ASN  55          2HD2      ASN  55   5.999   2.256  -6.385
  404    HA   PRO  56           HA       PRO  56   0.994  -1.051  -0.317
  405   1HB   PRO  56          1HB       PRO  56   2.730  -3.230  -1.467
  406   2HB   PRO  56          2HB       PRO  56   1.244  -3.411  -0.520
  407   1HG   PRO  56          1HG       PRO  56   1.081  -3.386  -3.160
  408   2HG   PRO  56          2HG       PRO  56  -0.088  -2.463  -2.210
  409   1HD   PRO  56          2HD       PRO  56   2.124  -1.485  -3.908
  410   2HD   PRO  56          1HD       PRO  56   0.662  -0.638  -3.365
  411    H    GLU  57           H        GLU  57   2.002   0.255   1.128
  412    HA   GLU  57           HA       GLU  57   4.151  -1.014   2.636
  413   1HB   GLU  57          2HB       GLU  57   4.972   1.400   3.128
  414   2HB   GLU  57          1HB       GLU  57   5.454   0.646   1.614
  415   1HG   GLU  57          2HG       GLU  57   3.108   1.896   0.937
  416   2HG   GLU  57          1HG       GLU  57   3.826   3.011   2.095
  417    H    SER  58           H        SER  58   1.680  -1.440   3.311
  418    HA   SER  58           HA       SER  58   1.217   0.017   5.743
  419   1HB   SER  58          2HB       SER  58  -0.155   0.787   3.307
  420   2HB   SER  58          1HB       SER  58  -1.308   0.197   4.501
  421    HG   SER  58           HG       SER  58   0.686   2.106   5.120
  422    H    LYS  59           H        LYS  59  -1.440  -0.695   6.192
  423    HA   LYS  59           HA       LYS  59  -1.183  -3.560   6.557
  424   1HB   LYS  59          2HB       LYS  59  -1.920  -2.308   8.462
  425   2HB   LYS  59          1HB       LYS  59  -3.204  -1.559   7.529
  426   1HG   LYS  59          2HG       LYS  59  -4.406  -3.613   7.386
  427   2HG   LYS  59          1HG       LYS  59  -3.055  -4.509   8.085
  428   1HD   LYS  59          1HD       LYS  59  -3.716  -4.041  10.163
  429   2HD   LYS  59          2HD       LYS  59  -3.882  -2.323   9.794
  430   1HE   LYS  59          1HE       LYS  59  -6.006  -3.301  10.518
  431   2HE   LYS  59          2HE       LYS  59  -6.090  -2.717   8.857
  432   1HZ   LYS  59          1HZ       LYS  59  -7.016  -4.730   8.567
  433   2HZ   LYS  59          2HZ       LYS  59  -5.408  -5.197   8.385
  434    H    ALA  60           H        ALA  60  -4.170  -1.786   5.838
  435    HA   ALA  60           HA       ALA  60  -5.431  -3.788   4.404
  436   1HB   ALA  60          1HB       ALA  60  -5.729  -0.840   4.529
  437   2HB   ALA  60          2HB       ALA  60  -6.884  -2.113   4.922
  438   3HB   ALA  60          3HB       ALA  60  -6.562  -1.703   3.237
  439    H    ILE  61           H        ILE  61  -2.930  -1.620   3.433
  440    HA   ILE  61           HA       ILE  61  -3.150  -1.627   0.680
  441    HB   ILE  61           HB       ILE  61  -1.330  -0.728   2.565
  442   1HG1  ILE  61          1HG1      ILE  61  -1.858   0.641   0.757
  443   2HG1  ILE  61          2HG1      ILE  61  -0.161   0.260   0.512
  444   1HG2  ILE  61          1HG2      ILE  61   0.088  -2.596   2.573
  445   2HG2  ILE  61          2HG2      ILE  61   0.882  -1.374   1.590
  446   3HG2  ILE  61          3HG2      ILE  61   0.066  -2.719   0.814
  447   1HD1  ILE  61          1HD1      ILE  61  -2.482  -0.392  -1.129
  448   2HD1  ILE  61          2HD1      ILE  61  -1.351  -1.725  -0.896
  449   3HD1  ILE  61          3HD1      ILE  61  -0.787  -0.198  -1.575
  450    H    LYS  62           H        LYS  62  -1.961  -4.098   2.885
  451    HA   LYS  62           HA       LYS  62  -0.782  -5.872   1.057
  452   1HB   LYS  62          2HB       LYS  62  -1.412  -5.896   3.786
  453   2HB   LYS  62          1HB       LYS  62  -2.313  -7.246   3.109
  454   1HG   LYS  62          2HG       LYS  62   0.583  -6.892   2.462
  455   2HG   LYS  62          1HG       LYS  62   0.087  -7.626   3.988
  456   1HD   LYS  62          2HD       LYS  62  -1.403  -9.132   2.493
  457   2HD   LYS  62          1HD       LYS  62  -0.330  -8.611   1.192
  458   1HE   LYS  62          2HE       LYS  62   1.450  -9.285   3.141
  459   2HE   LYS  62          1HE       LYS  62   0.159 -10.453   3.421
  460   1HZ   LYS  62          1HZ       LYS  62   0.377 -10.628   0.799
  461   2HZ   LYS  62          2HZ       LYS  62   1.265 -11.589   1.861
  462    H    ASN  63           H        ASN  63  -4.078  -5.104   1.845
  463    HA   ASN  63           HA       ASN  63  -5.330  -7.259   0.476
  464   1HB   ASN  63          1HB       ASN  63  -6.540  -4.524   0.863
  465   2HB   ASN  63          2HB       ASN  63  -7.358  -6.082   0.795
  466   1HD2  ASN  63          1HD2      ASN  63  -7.755  -4.213   2.823
  467   2HD2  ASN  63          2HD2      ASN  63  -7.171  -4.878   4.306
  468    H    LEU  64           H        LEU  64  -3.950  -4.205  -0.451
  469    HA   LEU  64           HA       LEU  64  -5.081  -3.674  -2.898
  470   1HB   LEU  64          2HB       LEU  64  -3.202  -2.317  -1.948
  471   2HB   LEU  64          1HB       LEU  64  -2.103  -3.612  -2.349
  472    HG   LEU  64           HG       LEU  64  -3.366  -3.122  -4.749
  473   1HD1  LEU  64          1HD1      LEU  64  -2.773  -0.542  -4.841
  474   2HD1  LEU  64          2HD1      LEU  64  -3.222  -0.636  -3.138
  475   3HD1  LEU  64          3HD1      LEU  64  -4.381  -1.111  -4.382
  476   1HD2  LEU  64          1HD2      LEU  64  -0.833  -3.405  -3.933
  477   2HD2  LEU  64          2HD2      LEU  64  -0.842  -1.662  -4.198
  478   3HD2  LEU  64          3HD2      LEU  64  -1.259  -2.756  -5.516
  479    H    LEU  65           H        LEU  65  -2.110  -5.516  -2.466
  480    HA   LEU  65           HA       LEU  65  -2.260  -6.580  -5.121
  481   1HB   LEU  65          2HB       LEU  65  -0.101  -6.185  -4.223
  482   2HB   LEU  65          1HB       LEU  65  -0.448  -7.115  -2.779
  483    HG   LEU  65           HG       LEU  65  -0.435  -9.182  -4.079
  484   1HD1  LEU  65          1HD2      LEU  65   0.341  -9.102  -6.445
  485   2HD1  LEU  65          2HD2      LEU  65   0.111  -7.354  -6.409
  486   3HD1  LEU  65          3HD2      LEU  65  -1.269  -8.429  -6.189
  487   1HD2  LEU  65          1HD1      LEU  65   1.659  -8.728  -3.182
  488   2HD2  LEU  65          2HD1      LEU  65   1.932  -7.358  -4.260
  489   3HD2  LEU  65          3HD1      LEU  65   2.002  -9.004  -4.890
  490    H    LYS  66           H        LYS  66  -3.362  -7.659  -2.040
  491    HA   LYS  66           HA       LYS  66  -3.528 -10.440  -2.731
  492   1HB   LYS  66          1HB       LYS  66  -3.297  -9.464  -0.386
  493   2HB   LYS  66          2HB       LYS  66  -5.004  -9.060  -0.497
  494   1HG   LYS  66          1HG       LYS  66  -5.618 -11.135  -0.006
  495   2HG   LYS  66          2HG       LYS  66  -4.517 -11.821  -1.203
  496   1HD   LYS  66          2HD       LYS  66  -3.117 -12.462   0.399
  497   2HD   LYS  66          1HD       LYS  66  -3.004 -10.807   1.002
  498   1HE   LYS  66          2HE       LYS  66  -5.361 -12.526   1.677
  499   2HE   LYS  66          1HE       LYS  66  -3.857 -12.665   2.585
  500   1HZ   LYS  66          1HZ       LYS  66  -5.268 -10.096   2.189
  501   2HZ   LYS  66          2HZ       LYS  66  -4.003 -10.421   3.252
  502    H    ALA  67           H        ALA  67  -5.877  -7.815  -2.366
  503    HA   ALA  67           HA       ALA  67  -8.073  -9.454  -3.217
  504   1HB   ALA  67          1HB       ALA  67  -9.329  -7.264  -3.145
  505   2HB   ALA  67          2HB       ALA  67  -7.831  -6.534  -2.569
  506   3HB   ALA  67          3HB       ALA  67  -8.613  -7.803  -1.626
  507    H    VAL  68           H        VAL  68  -5.731  -7.504  -4.778
  508    HA   VAL  68           HA       VAL  68  -7.375  -7.064  -7.113
  509    HB   VAL  68           HB       VAL  68  -5.680  -5.408  -6.296
  510   1HG1  VAL  68          1HG2      VAL  68  -3.916  -7.323  -6.057
  511   2HG1  VAL  68          2HG2      VAL  68  -3.408  -5.701  -6.536
  512   3HG1  VAL  68          3HG2      VAL  68  -3.596  -6.968  -7.754
  513   1HG2  VAL  68          1HG1      VAL  68  -4.718  -5.290  -8.828
  514   2HG2  VAL  68          2HG1      VAL  68  -6.327  -4.750  -8.348
  515   3HG2  VAL  68          3HG1      VAL  68  -6.107  -6.355  -9.044
  516    H    SER  69           H        SER  69  -4.888  -9.250  -6.020
  517    HA   SER  69           HA       SER  69  -4.561 -10.428  -8.664
  518   1HB   SER  69          1HB       SER  69  -2.558 -10.186  -7.299
  519   2HB   SER  69          2HB       SER  69  -3.300 -11.118  -5.998
  520    HG   SER  69           HG       SER  69  -2.286 -12.692  -6.994
  521    H    LYS  70           H        LYS  70  -5.383 -11.649  -5.411
  522    HA   LYS  70           HA       LYS  70  -6.589 -13.465  -4.740
  523   1HB   LYS  70          1HB       LYS  70  -8.190 -11.839  -6.417
  524   2HB   LYS  70          2HB       LYS  70  -8.575 -13.508  -6.812
  525   1HG   LYS  70          2HG       LYS  70  -9.823 -13.680  -4.995
  526   2HG   LYS  70          1HG       LYS  70  -8.450 -13.239  -3.977
  527   1HD   LYS  70          1HD       LYS  70  -8.993 -10.817  -4.684
  528   2HD   LYS  70          2HD       LYS  70 -10.557 -11.474  -5.173
  529   1HE   LYS  70          1HE       LYS  70  -9.394 -11.881  -2.428
  530   2HE   LYS  70          2HE       LYS  70 -10.428 -10.512  -2.837
  531   1HZ   LYS  70          1HZ       LYS  70 -11.390 -13.179  -3.515
  532   2HZ   LYS  70          2HZ       LYS  70 -12.250 -11.816  -3.023
  Start of MODEL    2
    1    H    VAL   7           H        VAL   7  17.850   3.338  -3.962
    2    HA   VAL   7           HA       VAL   7  16.265   1.968  -4.854
    3    HB   VAL   7           HB       VAL   7  15.580   0.676  -2.273
    4   1HG1  VAL   7          1HG1      VAL   7  14.746  -0.701  -3.810
    5   2HG1  VAL   7          2HG1      VAL   7  16.409  -1.220  -4.092
    6   3HG1  VAL   7          3HG1      VAL   7  15.693   0.035  -5.102
    7   1HG2  VAL   7          1HG2      VAL   7  18.357   0.812  -3.346
    8   2HG2  VAL   7          2HG2      VAL   7  17.783  -0.707  -2.659
    9   3HG2  VAL   7          3HG2      VAL   7  17.793   0.756  -1.676
   10    H    ARG   8           H        ARG   8  14.623   3.322  -5.392
   11    HA   ARG   8           HA       ARG   8  12.404   3.498  -3.479
   12   1HB   ARG   8          2HB       ARG   8  13.383   5.784  -5.201
   13   2HB   ARG   8          1HB       ARG   8  11.966   5.816  -4.162
   14   1HG   ARG   8          1HG       ARG   8  13.459   5.426  -2.214
   15   2HG   ARG   8          2HG       ARG   8  14.839   5.573  -3.305
   16   1HD   ARG   8          2HD       ARG   8  12.846   7.671  -2.510
   17   2HD   ARG   8          1HD       ARG   8  14.600   7.698  -2.346
   18   1HH1  ARG   8          2HH1      ARG   8  11.449   7.652  -3.816
   19   2HH1  ARG   8          1HH1      ARG   8  10.859   8.372  -5.272
   20   1HH2  ARG   8          2HH2      ARG   8  14.019   9.250  -6.476
   21   2HH2  ARG   8          1HH2      ARG   8  12.316   9.279  -6.782
   22    H    CYS   9           H        CYS   9  10.383   4.382  -4.725
   23    HA   CYS   9           HA       CYS   9  10.221   2.829  -7.217
   24   1HB   CYS   9          1HB       CYS   9   7.618   3.550  -6.511
   25   2HB   CYS   9          2HB       CYS   9   8.348   1.968  -6.349
   26    H    THR  10           H        THR  10   8.048   3.861  -8.423
   27    HA   THR  10           HA       THR  10   8.675   6.708  -8.817
   28    HB   THR  10           HB       THR  10   8.319   6.353 -11.254
   29    HG1  THR  10           HG1      THR  10   8.472   3.599 -10.619
   30   1HG2  THR  10          1HG2      THR  10  10.536   6.334 -11.218
   31   2HG2  THR  10          2HG2      THR  10  10.408   4.579 -11.327
   32   3HG2  THR  10          3HG2      THR  10  10.589   5.354  -9.753
   33    H    CYS  11           H        CYS  11   6.831   7.137  -7.490
   34    HA   CYS  11           HA       CYS  11   4.378   7.209  -9.038
   35   1HB   CYS  11          2HB       CYS  11   4.574   5.804  -6.368
   36   2HB   CYS  11          1HB       CYS  11   3.051   6.332  -7.073
   37    H    ILE  12           H        ILE  12   3.812   9.273  -8.961
   38    HA   ILE  12           HA       ILE  12   4.783  11.234  -7.310
   39    HB   ILE  12           HB       ILE  12   2.010  11.188  -8.503
   40   1HG1  ILE  12          2HG1      ILE  12   3.832  12.777 -10.000
   41   2HG1  ILE  12          1HG1      ILE  12   4.594  11.210  -9.740
   42   1HG2  ILE  12          1HG2      ILE  12   2.479  13.713  -8.564
   43   2HG2  ILE  12          2HG2      ILE  12   3.731  13.365  -7.371
   44   3HG2  ILE  12          3HG2      ILE  12   2.045  12.983  -7.018
   45   1HD1  ILE  12          1HD1      ILE  12   2.506  11.937 -11.554
   46   2HD1  ILE  12          2HD1      ILE  12   1.953  10.659 -10.469
   47   3HD1  ILE  12          3HD1      ILE  12   3.412  10.428 -11.432
   48    H    SER  13           H        SER  13   1.726   9.453  -6.887
   49    HA   SER  13           HA       SER  13   1.885  10.014  -4.014
   50   1HB   SER  13          2HB       SER  13  -0.508  10.506  -5.792
   51   2HB   SER  13          1HB       SER  13  -0.630  10.373  -4.039
   52    HG   SER  13           HG       SER  13   1.207  12.158  -5.199
   53    H    ILE  14           H        ILE  14   1.816   8.170  -2.928
   54    HA   ILE  14           HA       ILE  14   0.724   5.782  -4.205
   55    HB   ILE  14           HB       ILE  14   1.715   4.602  -2.210
   56   1HG1  ILE  14          2HG1      ILE  14   3.258   7.138  -1.734
   57   2HG1  ILE  14          1HG1      ILE  14   1.736   6.850  -0.895
   58   1HG2  ILE  14          1HG2      ILE  14   3.651   6.227  -3.852
   59   2HG2  ILE  14          2HG2      ILE  14   2.826   4.773  -4.411
   60   3HG2  ILE  14          3HG2      ILE  14   3.965   4.679  -3.070
   61   1HD1  ILE  14          1HD1      ILE  14   4.146   5.054  -0.797
   62   2HD1  ILE  14          2HD1      ILE  14   2.634   4.822   0.081
   63   3HD1  ILE  14          3HD1      ILE  14   3.665   6.204   0.449
   64    H    SER  15           H        SER  15  -0.781   4.399  -3.151
   65    HA   SER  15           HA       SER  15  -2.674   5.874  -1.492
   66   1HB   SER  15          2HB       SER  15  -3.571   4.702  -3.430
   67   2HB   SER  15          1HB       SER  15  -2.895   3.180  -2.849
   68    HG   SER  15           HG       SER  15  -4.921   3.102  -2.117
   69    H    ASN  16           H        ASN  16  -1.727   5.881   0.532
   70    HA   ASN  16           HA       ASN  16  -1.713   3.277   1.891
   71   1HB   ASN  16          1HB       ASN  16   0.248   4.025   3.226
   72   2HB   ASN  16          2HB       ASN  16   0.614   3.839   1.514
   73   1HD2  ASN  16          1HD2      ASN  16   0.285   6.037   4.152
   74   2HD2  ASN  16          2HD2      ASN  16   0.910   7.432   3.346
   75    H    GLN  17           H        GLN  17  -3.634   5.526   1.693
   76    HA   GLN  17           HA       GLN  17  -3.733   6.300   4.531
   77   1HB   GLN  17          2HB       GLN  17  -4.464   8.375   3.970
   78   2HB   GLN  17          1HB       GLN  17  -3.600   8.014   2.489
   79   1HG   GLN  17          1HG       GLN  17  -5.674   7.370   1.406
   80   2HG   GLN  17          2HG       GLN  17  -6.562   7.690   2.894
   81   1HE2  GLN  17          1HE2      GLN  17  -6.386   9.915   3.749
   82   2HE2  GLN  17          2HE2      GLN  17  -6.357  11.215   2.611
   83    HA   PRO  18           HA       PRO  18  -7.635   4.619   5.637
   84   1HB   PRO  18          2HB       PRO  18  -9.021   7.067   4.598
   85   2HB   PRO  18          1HB       PRO  18  -9.341   6.145   6.073
   86   1HG   PRO  18          1HG       PRO  18  -7.919   8.388   6.178
   87   2HG   PRO  18          2HG       PRO  18  -7.465   6.985   7.159
   88   1HD   PRO  18          2HD       PRO  18  -6.169   8.111   4.751
   89   2HD   PRO  18          1HD       PRO  18  -5.456   7.170   6.073
   90    H    VAL  19           H        VAL  19  -7.519   6.085   2.439
   91    HA   VAL  19           HA       VAL  19  -9.651   4.381   1.471
   92    HB   VAL  19           HB       VAL  19  -8.914   5.386  -0.802
   93   1HG1  VAL  19          1HG2      VAL  19 -10.343   6.698   1.453
   94   2HG1  VAL  19          2HG2      VAL  19 -10.967   6.096  -0.084
   95   3HG1  VAL  19          3HG2      VAL  19 -10.072   7.616  -0.029
   96   1HG2  VAL  19          1HG1      VAL  19  -7.694   7.411  -0.753
   97   2HG2  VAL  19          2HG1      VAL  19  -6.752   6.243   0.175
   98   3HG2  VAL  19          3HG1      VAL  19  -7.713   7.461   1.011
   99    H    ASN  20           H        ASN  20  -8.057   2.620   2.365
  100    HA   ASN  20           HA       ASN  20  -5.965   1.768   0.633
  101   1HB   ASN  20          2HB       ASN  20  -7.575   0.164   2.637
  102   2HB   ASN  20          1HB       ASN  20  -6.048  -0.313   1.927
  103   1HD2  ASN  20          1HD2      ASN  20  -4.319   1.490   2.159
  104   2HD2  ASN  20          2HD2      ASN  20  -4.157   2.136   3.753
  105    HA   PRO  21           HA       PRO  21  -7.580  -0.341  -2.785
  106   1HB   PRO  21          1HB       PRO  21  -7.065  -2.960  -1.459
  107   2HB   PRO  21          2HB       PRO  21  -6.706  -2.432  -3.119
  108   1HG   PRO  21          2HG       PRO  21  -4.848  -2.432  -1.121
  109   2HG   PRO  21          1HG       PRO  21  -4.827  -1.298  -2.469
  110   1HD   PRO  21          2HD       PRO  21  -5.324  -0.810   0.336
  111   2HD   PRO  21          1HD       PRO  21  -5.014   0.350  -0.961
  112    H    ARG  22           H        ARG  22  -9.080  -1.133   0.308
  113    HA   ARG  22           HA       ARG  22 -11.220  -2.725  -0.349
  114   1HB   ARG  22          2HB       ARG  22 -10.732  -0.603   1.566
  115   2HB   ARG  22          1HB       ARG  22 -12.395  -0.563   0.996
  116   1HG   ARG  22          1HG       ARG  22 -12.269  -3.146   1.485
  117   2HG   ARG  22          2HG       ARG  22 -10.977  -2.638   2.575
  118   1HD   ARG  22          1HD       ARG  22 -13.135  -2.740   3.720
  119   2HD   ARG  22          2HD       ARG  22 -12.495  -1.098   3.686
  120   1HH1  ARG  22          2HH2      ARG  22 -14.322  -1.177   4.948
  121   2HH1  ARG  22          1HH2      ARG  22 -15.921  -0.512   4.964
  122   1HH2  ARG  22          2HH1      ARG  22 -16.302  -0.600   1.489
  123   2HH2  ARG  22          1HH1      ARG  22 -17.047  -0.184   2.996
  124    H    SER  23           H        SER  23 -10.495   0.524  -1.270
  125    HA   SER  23           HA       SER  23 -12.704   0.617  -3.199
  126   1HB   SER  23          1HB       SER  23 -12.044   2.949  -3.558
  127   2HB   SER  23          2HB       SER  23 -12.296   2.682  -1.833
  128    HG   SER  23           HG       SER  23 -10.309   3.247  -1.533
  129    H    LEU  24           H        LEU  24 -12.027  -0.736  -4.838
  130    HA   LEU  24           HA       LEU  24  -9.438  -0.165  -6.108
  131   1HB   LEU  24          2HB       LEU  24  -8.784  -1.883  -4.592
  132   2HB   LEU  24          1HB       LEU  24 -10.154  -2.883  -5.033
  133    HG   LEU  24           HG       LEU  24  -8.346  -2.197  -7.259
  134   1HD1  LEU  24          1HD2      LEU  24  -7.354  -4.263  -5.327
  135   2HD1  LEU  24          2HD2      LEU  24  -6.882  -2.574  -5.150
  136   3HD1  LEU  24          3HD2      LEU  24  -6.490  -3.447  -6.630
  137   1HD2  LEU  24          1HD1      LEU  24  -8.624  -4.916  -7.116
  138   2HD2  LEU  24          2HD1      LEU  24  -9.673  -3.820  -8.017
  139   3HD2  LEU  24          3HD1      LEU  24 -10.124  -4.337  -6.393
  140    H    GLU  25           H        GLU  25  -9.411  -0.580  -8.317
  141    HA   GLU  25           HA       GLU  25 -11.722  -1.961  -9.477
  142   1HB   GLU  25          1HB       GLU  25 -12.003   0.691  -9.149
  143   2HB   GLU  25          2HB       GLU  25 -11.167   0.697 -10.691
  144   1HG   GLU  25          2HG       GLU  25 -12.872  -0.507 -11.755
  145   2HG   GLU  25          1HG       GLU  25 -13.602  -0.980 -10.221
  146    H    LYS  26           H        LYS  26  -9.351   0.308 -10.827
  147    HA   LYS  26           HA       LYS  26  -8.525  -1.798 -12.698
  148   1HB   LYS  26          2HB       LYS  26  -7.699   1.033 -13.120
  149   2HB   LYS  26          1HB       LYS  26  -8.059  -0.214 -14.300
  150   1HG   LYS  26          2HG       LYS  26 -10.327   0.791 -12.677
  151   2HG   LYS  26          1HG       LYS  26  -9.645   1.871 -13.893
  152   1HD   LYS  26          1HD       LYS  26 -10.685   0.772 -15.514
  153   2HD   LYS  26          2HD       LYS  26  -9.933  -0.744 -15.011
  154   1HE   LYS  26          2HE       LYS  26 -11.708  -1.006 -13.306
  155   2HE   LYS  26          1HE       LYS  26 -12.482   0.451 -13.930
  156   1HZ   LYS  26          1HZ       LYS  26 -13.030  -2.028 -14.758
  157   2HZ   LYS  26          2HZ       LYS  26 -11.882  -1.576 -15.903
  158   1HN   MLE  27          1HM       LEM  27  -7.500  -3.323 -12.197
  159   2HN   MLE  27          2HM       LEM  27  -8.009  -3.156 -10.519
  160   3HN   MLE  27          3HM       LEM  27  -6.501  -3.980 -10.904
  161    HA   MLE  27           HA       LEM  27  -4.826  -1.012 -10.444
  162   1HB   MLE  27          1HB       LEM  27  -5.140  -3.352  -8.733
  163   2HB   MLE  27          2HB       LEM  27  -6.568  -2.339  -8.759
  164    HG   MLE  27           HG       LEM  27  -4.179  -0.749  -8.448
  165   1HD1  MLE  27          1HD1      LEM  27  -5.458  -0.084  -6.365
  166   2HD1  MLE  27          2HD1      LEM  27  -6.710  -1.207  -6.891
  167   3HD1  MLE  27          3HD1      LEM  27  -6.284   0.170  -7.902
  168   1HD2  MLE  27          1HD2      LEM  27  -4.640  -2.431  -6.071
  169   2HD2  MLE  27          2HD2      LEM  27  -3.165  -1.669  -6.654
  170   3HD2  MLE  27          3HD2      LEM  27  -3.738  -3.154  -7.399
  171    H    GLU  28           H        GLU  28  -3.333  -1.473 -11.943
  172    HA   GLU  28           HA       GLU  28  -2.725  -4.244 -12.600
  173   1HB   GLU  28          2HB       GLU  28  -2.789  -2.606 -14.423
  174   2HB   GLU  28          1HB       GLU  28  -1.542  -1.657 -13.628
  175   1HG   GLU  28          1HG       GLU  28  -0.853  -3.135 -15.557
  176   2HG   GLU  28          2HG       GLU  28   0.104  -3.241 -14.080
  177    H    ILE  29           H        ILE  29  -1.602  -5.238 -11.044
  178    HA   ILE  29           HA       ILE  29   0.414  -3.787  -9.545
  179    HB   ILE  29           HB       ILE  29   0.510  -5.665  -8.074
  180   1HG1  ILE  29          1HG1      ILE  29  -1.119  -7.642  -8.659
  181   2HG1  ILE  29          2HG1      ILE  29  -0.883  -7.089 -10.316
  182   1HG2  ILE  29          1HG2      ILE  29  -1.562  -5.455  -7.130
  183   2HG2  ILE  29          2HG2      ILE  29  -2.403  -5.607  -8.673
  184   3HG2  ILE  29          3HG2      ILE  29  -1.594  -4.096  -8.256
  185   1HD1  ILE  29          1HD1      ILE  29   1.665  -7.256  -9.105
  186   2HD1  ILE  29          2HD1      ILE  29   0.999  -8.237 -10.411
  187   3HD1  ILE  29          3HD1      ILE  29   0.791  -8.743  -8.735
  188    H    ILE  30           H        ILE  30   2.547  -4.037  -9.676
  189    HA   ILE  30           HA       ILE  30   3.619  -6.111 -11.471
  190    HB   ILE  30           HB       ILE  30   5.308  -3.730 -11.284
  191   1HG1  ILE  30          1HG1      ILE  30   2.689  -3.497 -12.791
  192   2HG1  ILE  30          2HG1      ILE  30   3.092  -2.604 -11.330
  193   1HG2  ILE  30          1HG2      ILE  30   4.757  -5.889 -13.061
  194   2HG2  ILE  30          2HG2      ILE  30   6.106  -4.753 -13.077
  195   3HG2  ILE  30          3HG2      ILE  30   4.618  -4.368 -13.942
  196   1HD1  ILE  30          1HD1      ILE  30   5.113  -2.279 -13.364
  197   2HD1  ILE  30          2HD1      ILE  30   4.194  -1.064 -12.474
  198   3HD1  ILE  30          3HD1      ILE  30   3.515  -1.792 -13.930
  199    HA   PRO  31           HA       PRO  31   6.264  -6.933  -8.034
  200   1HB   PRO  31          2HB       PRO  31   8.261  -8.302  -9.237
  201   2HB   PRO  31          1HB       PRO  31   6.622  -8.941  -9.085
  202   1HG   PRO  31          2HG       PRO  31   8.031  -7.937 -11.464
  203   2HG   PRO  31          1HG       PRO  31   6.637  -9.020 -11.357
  204   1HD   PRO  31          1HD       PRO  31   6.664  -6.211 -11.926
  205   2HD   PRO  31          2HD       PRO  31   5.263  -7.295 -11.833
  206    H    ALA  32           H        ALA  32   6.946  -4.854  -7.391
  207    HA   ALA  32           HA       ALA  32   9.245  -3.621  -8.611
  208   1HB   ALA  32          1HB       ALA  32   7.252  -2.469  -7.408
  209   2HB   ALA  32          2HB       ALA  32   8.877  -1.818  -7.197
  210   3HB   ALA  32          3HB       ALA  32   8.162  -2.816  -5.938
  211    H    SER  33           H        SER  33  11.335  -3.709  -7.949
  212    HA   SER  33           HA       SER  33  12.042  -4.686  -5.326
  213   1HB   SER  33          2HB       SER  33  12.370  -6.352  -7.787
  214   2HB   SER  33          1HB       SER  33  13.621  -6.424  -6.547
  215    HG   SER  33           HG       SER  33  11.240  -7.613  -6.568
  216    H    GLN  34           H        GLN  34  13.648  -4.515  -8.511
  217    HA   GLN  34           HA       GLN  34  16.116  -3.685  -7.686
  218   1HB   GLN  34          1HB       GLN  34  16.357  -2.621  -9.937
  219   2HB   GLN  34          2HB       GLN  34  15.751  -4.272  -9.981
  220   1HG   GLN  34          1HG       GLN  34  13.467  -3.403 -10.249
  221   2HG   GLN  34          2HG       GLN  34  14.115  -1.763 -10.274
  222   1HE2  GLN  34          1HE2      GLN  34  15.402  -1.113 -12.038
  223   2HE2  GLN  34          2HE2      GLN  34  15.316  -1.930 -13.557
  224    H    PHE  35           H        PHE  35  13.290  -1.646  -8.290
  225    HA   PHE  35           HA       PHE  35  14.804   0.695  -7.395
  226   1HB   PHE  35          1HB       PHE  35  12.738   0.291  -9.325
  227   2HB   PHE  35          2HB       PHE  35  12.136   1.396  -8.094
  228    HD1  PHE  35           HD1      PHE  35  14.722   2.724  -7.368
  229    HD2  PHE  35           HD2      PHE  35  13.027   1.734 -11.146
  230    HE1  PHE  35           HE1      PHE  35  15.982   4.563  -8.413
  231    HE2  PHE  35           HE2      PHE  35  14.283   3.570 -12.196
  232    HZ   PHE  35           HZ       PHE  35  15.763   4.987 -10.829
  233    H    CYS  36           H        CYS  36  11.577  -0.726  -6.837
  234    HA   CYS  36           HA       CYS  36  11.805   0.138  -4.035
  235   1HB   CYS  36          1HB       CYS  36  10.033   1.222  -5.825
  236   2HB   CYS  36          2HB       CYS  36   9.067  -0.050  -5.080
  237    HA   PRO  37           HA       PRO  37  11.058  -4.272  -3.482
  238   1HB   PRO  37          1HB       PRO  37  11.266  -4.354  -0.828
  239   2HB   PRO  37          2HB       PRO  37  12.686  -3.972  -1.819
  240   1HG   PRO  37          1HG       PRO  37  10.752  -2.062  -0.518
  241   2HG   PRO  37          2HG       PRO  37  12.515  -2.133  -0.300
  242   1HD   PRO  37          2HD       PRO  37  11.425  -0.428  -2.031
  243   2HD   PRO  37          1HD       PRO  37  12.916  -1.303  -2.454
  244    H    ARG  38           H        ARG  38   8.759  -3.411  -4.217
  245    HA   ARG  38           HA       ARG  38   6.848  -4.438  -2.335
  246   1HB   ARG  38          1HB       ARG  38   6.426  -1.587  -3.228
  247   2HB   ARG  38          2HB       ARG  38   5.507  -2.493  -2.036
  248   1HG   ARG  38          2HG       ARG  38   7.448  -2.484  -0.542
  249   2HG   ARG  38          1HG       ARG  38   8.349  -1.545  -1.736
  250   1HD   ARG  38          1HD       ARG  38   6.586   0.207  -1.579
  251   2HD   ARG  38          2HD       ARG  38   5.869  -0.704  -0.251
  252   1HH1  ARG  38          2HH2      ARG  38   6.556  -1.739   1.321
  253   2HH1  ARG  38          1HH2      ARG  38   7.338  -1.541   2.855
  254   1HH2  ARG  38          2HH1      ARG  38   9.255   1.206   1.853
  255   2HH2  ARG  38          1HH1      ARG  38   8.873   0.132   3.157
  256    H    VAL  39           H        VAL  39   4.544  -3.279  -3.528
  257    HA   VAL  39           HA       VAL  39   4.615  -4.649  -6.107
  258    HB   VAL  39           HB       VAL  39   2.066  -3.503  -5.010
  259   1HG1  VAL  39          1HG1      VAL  39   2.442  -4.704  -7.270
  260   2HG1  VAL  39          2HG1      VAL  39   1.052  -5.149  -6.281
  261   3HG1  VAL  39          3HG1      VAL  39   2.487  -6.174  -6.297
  262   1HG2  VAL  39          1HG2      VAL  39   3.038  -4.615  -3.074
  263   2HG2  VAL  39          2HG2      VAL  39   3.377  -6.052  -4.039
  264   3HG2  VAL  39          3HG2      VAL  39   1.709  -5.579  -3.719
  265    H    GLU  40           H        GLU  40   4.549  -3.587  -8.007
  266    HA   GLU  40           HA       GLU  40   4.512  -0.676  -7.945
  267   1HB   GLU  40          1HB       GLU  40   5.632  -2.690  -9.676
  268   2HB   GLU  40          2HB       GLU  40   4.616  -1.608 -10.618
  269   1HG   GLU  40          1HG       GLU  40   6.725  -0.595  -8.741
  270   2HG   GLU  40          2HG       GLU  40   7.071  -1.015 -10.419
  271    H    ILE  41           H        ILE  41   2.704   0.455  -8.318
  272    HA   ILE  41           HA       ILE  41   0.470  -1.041  -9.501
  273    HB   ILE  41           HB       ILE  41   0.133   0.836  -7.184
  274   1HG1  ILE  41          1HG1      ILE  41   1.775  -0.818  -6.455
  275   2HG1  ILE  41          2HG1      ILE  41   0.231  -1.104  -5.665
  276   1HG2  ILE  41          1HG2      ILE  41  -1.517  -1.580  -7.738
  277   2HG2  ILE  41          2HG2      ILE  41  -1.741  -0.121  -8.706
  278   3HG2  ILE  41          3HG2      ILE  41  -1.961  -0.060  -6.956
  279   1HD1  ILE  41          1HD1      ILE  41   0.392  -3.214  -6.308
  280   2HD1  ILE  41          2HD1      ILE  41   1.801  -2.859  -7.297
  281   3HD1  ILE  41          3HD1      ILE  41   0.181  -2.671  -7.971
  282    H    ILE  42           H        ILE  42  -0.801  -0.101 -10.842
  283    HA   ILE  42           HA       ILE  42  -0.946   2.834 -10.953
  284    HB   ILE  42           HB       ILE  42  -1.524   1.016 -13.292
  285   1HG1  ILE  42          2HG1      ILE  42   0.883   0.966 -12.790
  286   2HG1  ILE  42          1HG1      ILE  42   0.571   1.855 -14.277
  287   1HG2  ILE  42          1HG2      ILE  42  -0.978   3.684 -14.038
  288   2HG2  ILE  42          2HG2      ILE  42  -2.100   3.740 -12.677
  289   3HG2  ILE  42          3HG2      ILE  42  -2.514   2.819 -14.124
  290   1HD1  ILE  42          1HD1      ILE  42   0.702   3.961 -12.927
  291   2HD1  ILE  42          2HD1      ILE  42   2.209   3.055 -13.070
  292   3HD1  ILE  42          3HD1      ILE  42   1.268   2.972 -11.581
  293    H    ALA  43           H        ALA  43  -2.482   2.602  -9.306
  294    HA   ALA  43           HA       ALA  43  -4.703   0.833  -9.657
  295   1HB   ALA  43          1HB       ALA  43  -3.806   2.677  -7.469
  296   2HB   ALA  43          2HB       ALA  43  -3.785   0.910  -7.500
  297   3HB   ALA  43          3HB       ALA  43  -5.317   1.776  -7.377
  298    H    THR  44           H        THR  44  -6.827   1.304  -9.414
  299    HA   THR  44           HA       THR  44  -7.776   4.032  -9.631
  300    HB   THR  44           HB       THR  44  -8.540   1.855 -11.580
  301    HG1  THR  44           HG1      THR  44  -6.838   3.067 -12.315
  302   1HG2  THR  44          1HG2      THR  44 -10.071   3.683 -12.504
  303   2HG2  THR  44          2HG2      THR  44  -9.980   4.374 -10.884
  304   3HG2  THR  44          3HG2      THR  44 -10.621   2.747 -11.114
  305    H    MET  45           H        MET  45  -9.223   4.248  -8.047
  306    HA   MET  45           HA       MET  45  -9.983   1.884  -6.618
  307   1HB   MET  45          2HB       MET  45 -10.320   4.831  -6.085
  308   2HB   MET  45          1HB       MET  45 -10.932   3.596  -4.994
  309   1HG   MET  45          2HG       MET  45  -8.871   3.029  -4.252
  310   2HG   MET  45          1HG       MET  45  -8.092   3.401  -5.789
  311   1HE   MET  45          1HE       MET  45  -6.225   4.116  -4.571
  312   2HE   MET  45          2HE       MET  45  -6.515   4.684  -2.926
  313   3HE   MET  45          3HE       MET  45  -5.952   5.810  -4.162
  314    H    LYS  46           H        LYS  46 -11.811   0.836  -6.685
  315    HA   LYS  46           HA       LYS  46 -14.186   2.023  -7.910
  316   1HB   LYS  46          1HB       LYS  46 -13.366  -0.439  -8.344
  317   2HB   LYS  46          2HB       LYS  46 -14.113  -0.758  -6.795
  318   1HG   LYS  46          1HG       LYS  46 -15.861   0.756  -8.522
  319   2HG   LYS  46          2HG       LYS  46 -15.350  -0.760  -9.269
  320   1HD   LYS  46          2HD       LYS  46 -15.922  -1.731  -6.887
  321   2HD   LYS  46          1HD       LYS  46 -16.949  -0.299  -6.799
  322   1HE   LYS  46          1HE       LYS  46 -18.353  -1.033  -8.437
  323   2HE   LYS  46          2HE       LYS  46 -17.089  -1.939  -9.267
  324   1HZ   LYS  46          1HZ       LYS  46 -18.686  -3.419  -8.277
  325   2HZ   LYS  46          2HZ       LYS  46 -18.459  -2.726  -6.759
  326    H    LYS  47           H        LYS  47 -14.905   3.372  -6.464
  327    HA   LYS  47           HA       LYS  47 -16.360   2.739  -4.227
  328   1HB   LYS  47          2HB       LYS  47 -13.964   2.132  -3.401
  329   2HB   LYS  47          1HB       LYS  47 -13.726   3.866  -3.326
  330   1HG   LYS  47          2HG       LYS  47 -14.393   2.692  -1.193
  331   2HG   LYS  47          1HG       LYS  47 -15.319   4.125  -1.641
  332   1HD   LYS  47          1HD       LYS  47 -16.710   2.227  -0.821
  333   2HD   LYS  47          2HD       LYS  47 -17.133   2.777  -2.443
  334   1HE   LYS  47          1HE       LYS  47 -16.797   0.738  -3.247
  335   2HE   LYS  47          2HE       LYS  47 -15.134   0.763  -2.661
  336   1HZ   LYS  47          1HZ       LYS  47 -16.086  -1.065  -1.636
  337   2HZ   LYS  47          2HZ       LYS  47 -16.119   0.121  -0.440
  338    H    LYS  48           H        LYS  48 -14.152   4.937  -5.775
  339    HA   LYS  48           HA       LYS  48 -16.111   7.047  -5.730
  340   1HB   LYS  48          1HB       LYS  48 -14.870   7.103  -3.517
  341   2HB   LYS  48          2HB       LYS  48 -13.435   7.550  -4.436
  342   1HG   LYS  48          2HG       LYS  48 -14.323   9.571  -3.655
  343   2HG   LYS  48          1HG       LYS  48 -14.791   9.481  -5.356
  344   1HD   LYS  48          1HD       LYS  48 -16.960   8.387  -4.415
  345   2HD   LYS  48          2HD       LYS  48 -16.470   9.148  -2.901
  346   1HE   LYS  48          2HE       LYS  48 -17.451  11.008  -3.618
  347   2HE   LYS  48          1HE       LYS  48 -16.174  11.136  -4.826
  348   1HZ   LYS  48          1HZ       LYS  48 -18.651  11.118  -5.533
  349   2HZ   LYS  48          2HZ       LYS  48 -17.499  10.307  -6.457
  350    H    GLY  49           H        GLY  49 -14.499   5.387  -7.627
  351   1HA   GLY  49          1HA       GLY  49 -13.205   5.616  -9.524
  352   2HA   GLY  49          2HA       GLY  49 -14.170   7.070  -9.726
  353    H    GLU  50           H        GLU  50 -11.331   5.947  -7.876
  354    HA   GLU  50           HA       GLU  50 -10.055   8.522  -8.547
  355   1HB   GLU  50          1HB       GLU  50 -10.773   7.856  -6.050
  356   2HB   GLU  50          2HB       GLU  50  -9.188   7.095  -6.093
  357   1HG   GLU  50          2HG       GLU  50  -9.542   9.944  -6.931
  358   2HG   GLU  50          1HG       GLU  50  -9.399   9.511  -5.228
  359    H    LYS  51           H        LYS  51  -8.369   8.291  -9.842
  360    HA   LYS  51           HA       LYS  51  -6.976   5.732  -9.982
  361   1HB   LYS  51          1HB       LYS  51  -5.806   6.867 -11.941
  362   2HB   LYS  51          2HB       LYS  51  -7.529   6.560 -12.123
  363   1HG   LYS  51          1HG       LYS  51  -8.070   8.830 -11.773
  364   2HG   LYS  51          2HG       LYS  51  -6.443   9.204 -11.201
  365   1HD   LYS  51          2HD       LYS  51  -5.715   9.571 -13.273
  366   2HD   LYS  51          1HD       LYS  51  -6.383   8.042 -13.845
  367   1HE   LYS  51          2HE       LYS  51  -8.652   9.396 -13.658
  368   2HE   LYS  51          1HE       LYS  51  -7.564  10.767 -13.874
  369   1HZ   LYS  51          1HZ       LYS  51  -8.383   8.744 -15.757
  370   2HZ   LYS  51          2HZ       LYS  51  -6.730   9.067 -15.775
  371    H    ARG  52           H        ARG  52  -5.013   5.372  -9.168
  372    HA   ARG  52           HA       ARG  52  -3.220   7.586  -8.582
  373   1HB   ARG  52          1HB       ARG  52  -4.827   7.099  -6.611
  374   2HB   ARG  52          2HB       ARG  52  -3.881   5.633  -6.393
  375   1HG   ARG  52          2HG       ARG  52  -2.310   6.750  -5.302
  376   2HG   ARG  52          1HG       ARG  52  -2.132   7.893  -6.636
  377   1HD   ARG  52          2HD       ARG  52  -3.533   9.425  -5.698
  378   2HD   ARG  52          1HD       ARG  52  -4.502   8.200  -4.878
  379   1HH1  ARG  52          2HH2      ARG  52  -4.868  10.139  -3.904
  380   2HH1  ARG  52          1HH2      ARG  52  -4.625  10.893  -2.363
  381   1HH2  ARG  52          2HH1      ARG  52  -1.594   9.272  -1.722
  382   2HH2  ARG  52          1HH1      ARG  52  -2.764  10.399  -1.122
  383    H    CYS  53           H        CYS  53  -1.068   6.867  -7.919
  384    HA   CYS  53           HA       CYS  53  -0.408   4.216  -9.020
  385   1HB   CYS  53          2HB       CYS  53   0.690   6.230 -10.059
  386   2HB   CYS  53          1HB       CYS  53   1.474   6.532  -8.512
  387    H    LEU  54           H        LEU  54  -0.547   2.837  -7.329
  388    HA   LEU  54           HA       LEU  54   0.413   3.676  -4.719
  389   1HB   LEU  54          2HB       LEU  54  -0.698   0.962  -5.094
  390   2HB   LEU  54          1HB       LEU  54  -0.968   2.121  -3.810
  391    HG   LEU  54           HG       LEU  54  -2.294   1.989  -6.502
  392   1HD1  LEU  54          1HD1      LEU  54  -4.088   2.464  -4.393
  393   2HD1  LEU  54          2HD1      LEU  54  -2.982   1.206  -3.842
  394   3HD1  LEU  54          3HD1      LEU  54  -3.891   0.988  -5.339
  395   1HD2  LEU  54          1HD2      LEU  54  -1.775   4.334  -4.827
  396   2HD2  LEU  54          2HD2      LEU  54  -3.467   4.108  -5.273
  397   3HD2  LEU  54          3HD2      LEU  54  -2.234   4.228  -6.527
  398    H    ASN  55           H        ASN  55   1.569   2.168  -3.355
  399    HA   ASN  55           HA       ASN  55   3.280   0.213  -4.593
  400   1HB   ASN  55          1HB       ASN  55   4.264   2.895  -3.788
  401   2HB   ASN  55          2HB       ASN  55   5.244   1.524  -3.279
  402   1HD2  ASN  55          1HD2      ASN  55   5.977   0.050  -4.937
  403   2HD2  ASN  55          2HD2      ASN  55   6.278   0.648  -6.530
  404    HA   PRO  56           HA       PRO  56   1.138  -0.948  -0.630
  405   1HB   PRO  56          2HB       PRO  56   2.848  -3.181  -1.718
  406   2HB   PRO  56          1HB       PRO  56   1.373  -3.310  -0.745
  407   1HG   PRO  56          1HG       PRO  56   1.179  -3.422  -3.375
  408   2HG   PRO  56          2HG       PRO  56   0.023  -2.447  -2.458
  409   1HD   PRO  56          1HD       PRO  56   2.228  -1.568  -4.229
  410   2HD   PRO  56          2HD       PRO  56   0.760  -0.699  -3.738
  411    H    GLU  57           H        GLU  57   2.150   0.356   0.790
  412    HA   GLU  57           HA       GLU  57   4.357  -0.865   2.246
  413   1HB   GLU  57          2HB       GLU  57   5.246   1.514   2.652
  414   2HB   GLU  57          1HB       GLU  57   5.606   0.774   1.097
  415   1HG   GLU  57          1HG       GLU  57   4.760   2.568   0.121
  416   2HG   GLU  57          2HG       GLU  57   3.176   2.095   0.740
  417    H    SER  58           H        SER  58   1.894  -1.255   2.987
  418    HA   SER  58           HA       SER  58   1.514   0.274   5.399
  419   1HB   SER  58          2HB       SER  58   0.059   0.932   2.975
  420   2HB   SER  58          1HB       SER  58  -1.048   0.399   4.239
  421    HG   SER  58           HG       SER  58  -0.801   2.309   5.054
  422    H    LYS  59           H        LYS  59  -1.114  -0.439   5.964
  423    HA   LYS  59           HA       LYS  59  -0.812  -3.278   6.445
  424   1HB   LYS  59          2HB       LYS  59  -1.509  -1.917   8.298
  425   2HB   LYS  59          1HB       LYS  59  -2.853  -1.276   7.371
  426   1HG   LYS  59          2HG       LYS  59  -4.067  -3.251   7.514
  427   2HG   LYS  59          1HG       LYS  59  -2.640  -4.206   7.923
  428   1HD   LYS  59          1HD       LYS  59  -2.546  -3.285  10.111
  429   2HD   LYS  59          2HD       LYS  59  -3.750  -2.056   9.713
  430   1HE   LYS  59          2HE       LYS  59  -5.381  -3.926   9.322
  431   2HE   LYS  59          1HE       LYS  59  -4.174  -5.023   9.992
  432   1HZ   LYS  59          1HZ       LYS  59  -5.007  -2.650  11.512
  433   2HZ   LYS  59          2HZ       LYS  59  -5.988  -4.020  11.507
  434    H    ALA  60           H        ALA  60  -3.852  -1.596   5.734
  435    HA   ALA  60           HA       ALA  60  -5.068  -3.717   4.413
  436   1HB   ALA  60          1HB       ALA  60  -6.634  -2.178   4.932
  437   2HB   ALA  60          2HB       ALA  60  -6.344  -1.667   3.270
  438   3HB   ALA  60          3HB       ALA  60  -5.563  -0.815   4.604
  439    H    ILE  61           H        ILE  61  -2.682  -1.503   3.303
  440    HA   ILE  61           HA       ILE  61  -3.051  -1.536   0.558
  441    HB   ILE  61           HB       ILE  61  -1.159  -0.564   2.319
  442   1HG1  ILE  61          1HG1      ILE  61  -1.746   0.761   0.511
  443   2HG1  ILE  61          2HG1      ILE  61  -0.075   0.344   0.165
  444   1HG2  ILE  61          1HG2      ILE  61   0.277  -2.424   2.322
  445   2HG2  ILE  61          2HG2      ILE  61   1.024  -1.214   1.286
  446   3HG2  ILE  61          3HG2      ILE  61   0.194  -2.585   0.569
  447   1HD1  ILE  61          1HD1      ILE  61  -2.543  -0.425  -1.245
  448   2HD1  ILE  61          2HD1      ILE  61  -1.263  -1.635  -1.152
  449   3HD1  ILE  61          3HD1      ILE  61  -0.935  -0.058  -1.871
  450    H    LYS  62           H        LYS  62  -1.731  -3.949   2.743
  451    HA   LYS  62           HA       LYS  62  -0.615  -5.748   0.906
  452   1HB   LYS  62          1HB       LYS  62  -0.279  -6.097   3.266
  453   2HB   LYS  62          2HB       LYS  62  -2.010  -6.216   3.548
  454   1HG   LYS  62          1HG       LYS  62  -2.144  -8.342   2.649
  455   2HG   LYS  62          2HG       LYS  62  -0.646  -8.157   1.735
  456   1HD   LYS  62          1HD       LYS  62   0.403  -7.924   4.138
  457   2HD   LYS  62          2HD       LYS  62  -1.049  -8.810   4.613
  458   1HE   LYS  62          2HE       LYS  62   0.604  -9.788   2.327
  459   2HE   LYS  62          1HE       LYS  62   1.130 -10.100   3.982
  460   1HZ   LYS  62          1HZ       LYS  62  -0.425 -11.747   2.701
  461   2HZ   LYS  62          2HZ       LYS  62  -1.635 -10.713   3.255
  462    H    ASN  63           H        ASN  63  -3.883  -4.983   1.801
  463    HA   ASN  63           HA       ASN  63  -5.179  -7.175   0.543
  464   1HB   ASN  63          1HB       ASN  63  -6.088  -5.355   2.226
  465   2HB   ASN  63          2HB       ASN  63  -6.467  -4.479   0.746
  466   1HD2  ASN  63          2HD2      ASN  63  -8.654  -4.621   0.909
  467   2HD2  ASN  63          1HD2      ASN  63  -9.529  -6.106   0.786
  468    H    LEU  64           H        LEU  64  -3.885  -4.113  -0.526
  469    HA   LEU  64           HA       LEU  64  -5.060  -3.683  -2.969
  470   1HB   LEU  64          2HB       LEU  64  -3.162  -2.297  -2.112
  471   2HB   LEU  64          1HB       LEU  64  -2.073  -3.612  -2.484
  472    HG   LEU  64           HG       LEU  64  -3.350  -3.214  -4.878
  473   1HD1  LEU  64          1HD1      LEU  64  -4.397  -1.216  -4.618
  474   2HD1  LEU  64          2HD1      LEU  64  -2.795  -0.632  -5.076
  475   3HD1  LEU  64          3HD1      LEU  64  -3.262  -0.664  -3.379
  476   1HD2  LEU  64          1HD2      LEU  64  -0.780  -1.830  -4.147
  477   2HD2  LEU  64          2HD2      LEU  64  -1.261  -2.510  -5.696
  478   3HD2  LEU  64          3HD2      LEU  64  -0.879  -3.578  -4.347
  479    H    LEU  65           H        LEU  65  -2.128  -5.563  -2.483
  480    HA   LEU  65           HA       LEU  65  -2.249  -6.670  -5.107
  481   1HB   LEU  65          2HB       LEU  65  -0.113  -6.347  -4.097
  482   2HB   LEU  65          1HB       LEU  65  -0.554  -7.309  -2.700
  483    HG   LEU  65           HG       LEU  65  -0.756  -8.850  -5.149
  484   1HD1  LEU  65          1HD1      LEU  65   0.975  -7.509  -6.050
  485   2HD1  LEU  65          2HD1      LEU  65   1.738  -8.986  -5.461
  486   3HD1  LEU  65          3HD1      LEU  65   1.856  -7.499  -4.523
  487   1HD2  LEU  65          1HD2      LEU  65   0.323  -9.070  -2.418
  488   2HD2  LEU  65          2HD2      LEU  65   1.124 -10.052  -3.644
  489   3HD2  LEU  65          3HD2      LEU  65  -0.610 -10.225  -3.370
  490    H    LYS  66           H        LYS  66  -3.235  -7.865  -1.955
  491    HA   LYS  66           HA       LYS  66  -3.579 -10.572  -2.786
  492   1HB   LYS  66          1HB       LYS  66  -3.841  -9.045  -0.356
  493   2HB   LYS  66          2HB       LYS  66  -5.239 -10.092  -0.563
  494   1HG   LYS  66          2HG       LYS  66  -2.496 -11.205  -0.923
  495   2HG   LYS  66          1HG       LYS  66  -3.140 -10.951   0.700
  496   1HD   LYS  66          2HD       LYS  66  -5.233 -12.203  -0.328
  497   2HD   LYS  66          1HD       LYS  66  -4.002 -12.855  -1.414
  498   1HE   LYS  66          2HE       LYS  66  -2.841 -13.888   0.319
  499   2HE   LYS  66          1HE       LYS  66  -3.593 -12.876   1.552
  500   1HZ   LYS  66          1HZ       LYS  66  -5.475 -14.447   0.066
  501   2HZ   LYS  66          2HZ       LYS  66  -5.314 -14.246   1.732
  502    H    ALA  67           H        ALA  67  -5.755  -7.825  -2.422
  503    HA   ALA  67           HA       ALA  67  -8.072  -9.355  -3.174
  504   1HB   ALA  67          1HB       ALA  67  -8.008  -6.371  -3.010
  505   2HB   ALA  67          2HB       ALA  67  -7.973  -7.360  -1.551
  506   3HB   ALA  67          3HB       ALA  67  -9.337  -7.478  -2.663
  507    H    VAL  68           H        VAL  68  -5.653  -7.591  -4.824
  508    HA   VAL  68           HA       VAL  68  -7.343  -7.081  -7.124
  509    HB   VAL  68           HB       VAL  68  -5.599  -5.462  -6.384
  510   1HG1  VAL  68          1HG2      VAL  68  -3.517  -7.055  -7.776
  511   2HG1  VAL  68          2HG2      VAL  68  -3.914  -7.491  -6.116
  512   3HG1  VAL  68          3HG2      VAL  68  -3.356  -5.860  -6.487
  513   1HG2  VAL  68          1HG1      VAL  68  -4.619  -5.339  -8.853
  514   2HG2  VAL  68          2HG1      VAL  68  -6.297  -4.941  -8.486
  515   3HG2  VAL  68          3HG1      VAL  68  -5.890  -6.528  -9.134
  516    H    SER  69           H        SER  69  -5.011  -9.399  -6.031
  517    HA   SER  69           HA       SER  69  -4.587 -10.532  -8.664
  518   1HB   SER  69          1HB       SER  69  -2.650 -10.768  -7.421
  519   2HB   SER  69          2HB       SER  69  -3.526 -11.055  -5.917
  520    HG   SER  69           HG       SER  69  -3.405 -12.881  -8.086
  521    H    LYS  70           H        LYS  70  -6.283 -11.360  -5.678
  522    HA   LYS  70           HA       LYS  70  -8.235 -12.891  -7.063
  523   1HB   LYS  70          1HB       LYS  70  -7.524 -14.961  -5.461
  524   2HB   LYS  70          2HB       LYS  70  -7.077 -14.827  -7.155
  525   1HG   LYS  70          2HG       LYS  70  -4.896 -14.232  -6.674
  526   2HG   LYS  70          1HG       LYS  70  -5.299 -13.677  -5.047
  527   1HD   LYS  70          2HD       LYS  70  -4.092 -15.753  -4.887
  528   2HD   LYS  70          1HD       LYS  70  -5.770 -16.029  -4.415
  529   1HE   LYS  70          1HE       LYS  70  -6.023 -17.554  -6.008
  530   2HE   LYS  70          2HE       LYS  70  -5.474 -16.419  -7.240
  531   1HZ   LYS  70          1HZ       LYS  70  -3.474 -17.689  -5.526
  532   2HZ   LYS  70          2HZ       LYS  70  -3.346 -17.173  -7.125
  Start of MODEL    3
    1    H    VAL   7           H        VAL   7  16.871   3.121  -1.428
    2    HA   VAL   7           HA       VAL   7  15.625   1.500  -3.539
    3    HB   VAL   7           HB       VAL   7  15.037   0.314  -1.560
    4   1HG1  VAL   7          1HG2      VAL   7  14.024   1.380   0.397
    5   2HG1  VAL   7          2HG2      VAL   7  14.209   2.959  -0.369
    6   3HG1  VAL   7          3HG2      VAL   7  15.635   2.022   0.074
    7   1HG2  VAL   7          1HG1      VAL   7  12.511   1.711  -1.548
    8   2HG2  VAL   7          2HG1      VAL   7  12.906   0.097  -2.137
    9   3HG2  VAL   7          3HG1      VAL   7  13.123   1.500  -3.188
   10    H    ARG   8           H        ARG   8  14.055   2.514  -4.710
   11    HA   ARG   8           HA       ARG   8  12.831   4.959  -3.849
   12   1HB   ARG   8          2HB       ARG   8  14.868   5.013  -6.083
   13   2HB   ARG   8          1HB       ARG   8  13.694   6.291  -5.797
   14   1HG   ARG   8          1HG       ARG   8  14.663   6.538  -3.500
   15   2HG   ARG   8          2HG       ARG   8  15.941   5.425  -3.994
   16   1HD   ARG   8          2HD       ARG   8  16.446   7.908  -4.188
   17   2HD   ARG   8          1HD       ARG   8  16.765   6.917  -5.610
   18   1HH1  ARG   8          2HH1      ARG   8  17.512   8.773  -6.231
   19   2HH1  ARG   8          1HH1      ARG   8  17.183  10.036  -7.371
   20   1HH2  ARG   8          1HH2      ARG   8  13.709   9.705  -7.170
   21   2HH2  ARG   8          2HH2      ARG   8  15.020  10.566  -7.905
   22    H    CYS   9           H        CYS   9  10.813   4.803  -4.573
   23    HA   CYS   9           HA       CYS   9  10.169   2.946  -6.666
   24   1HB   CYS   9          2HB       CYS   9   8.244   4.883  -5.394
   25   2HB   CYS   9          1HB       CYS   9   7.900   3.316  -6.125
   26    H    THR  10           H        THR  10   8.020   4.094  -7.899
   27    HA   THR  10           HA       THR  10   9.273   6.206  -9.511
   28    HB   THR  10           HB       THR  10   8.276   5.253 -11.432
   29    HG1  THR  10           HG1      THR  10   6.394   4.386 -11.252
   30   1HG2  THR  10          1HG2      THR  10   8.701   2.595 -10.580
   31   2HG2  THR  10          2HG2      THR  10   9.907   3.624  -9.806
   32   3HG2  THR  10          3HG2      THR  10   9.747   3.620 -11.562
   33    H    CYS  11           H        CYS  11   6.311   5.022  -8.042
   34    HA   CYS  11           HA       CYS  11   4.670   7.162  -9.007
   35   1HB   CYS  11          2HB       CYS  11   4.087   5.417  -6.616
   36   2HB   CYS  11          1HB       CYS  11   2.936   6.225  -7.676
   37    H    ILE  12           H        ILE  12   5.522   9.125  -8.435
   38    HA   ILE  12           HA       ILE  12   6.752   9.894  -6.114
   39    HB   ILE  12           HB       ILE  12   4.792  11.630  -7.610
   40   1HG1  ILE  12          1HG1      ILE  12   7.440  12.137  -8.453
   41   2HG1  ILE  12          2HG1      ILE  12   7.234  10.389  -8.504
   42   1HG2  ILE  12          1HG2      ILE  12   6.706  12.082  -5.470
   43   2HG2  ILE  12          2HG2      ILE  12   5.388  13.102  -6.045
   44   3HG2  ILE  12          3HG2      ILE  12   6.957  13.153  -6.849
   45   1HD1  ILE  12          1HD1      ILE  12   5.029  11.944  -9.660
   46   2HD1  ILE  12          2HD1      ILE  12   5.820  10.478 -10.239
   47   3HD1  ILE  12          3HD1      ILE  12   6.572  12.050 -10.510
   48    H    SER  13           H        SER  13   3.383   9.238  -6.616
   49    HA   SER  13           HA       SER  13   2.847  10.018  -3.825
   50   1HB   SER  13          1HB       SER  13   0.572   9.841  -5.729
   51   2HB   SER  13          2HB       SER  13   0.837  10.957  -4.390
   52    HG   SER  13           HG       SER  13   0.989  11.930  -6.499
   53    H    ILE  14           H        ILE  14   1.767   8.588  -2.536
   54    HA   ILE  14           HA       ILE  14   0.988   6.017  -3.737
   55    HB   ILE  14           HB       ILE  14   1.808   4.879  -1.677
   56   1HG1  ILE  14          1HG1      ILE  14   3.769   6.442  -0.654
   57   2HG1  ILE  14          2HG1      ILE  14   2.563   7.668  -1.028
   58   1HG2  ILE  14          1HG2      ILE  14   3.816   6.330  -3.389
   59   2HG2  ILE  14          2HG2      ILE  14   3.123   4.732  -3.665
   60   3HG2  ILE  14          3HG2      ILE  14   4.218   4.995  -2.309
   61   1HD1  ILE  14          1HD1      ILE  14   2.267   6.986   1.229
   62   2HD1  ILE  14          2HD1      ILE  14   2.234   5.284   0.766
   63   3HD1  ILE  14          3HD1      ILE  14   0.916   6.354   0.286
   64    H    SER  15           H        SER  15  -0.638   4.840  -2.580
   65    HA   SER  15           HA       SER  15  -2.345   6.607  -0.966
   66   1HB   SER  15          2HB       SER  15  -3.203   5.691  -3.183
   67   2HB   SER  15          1HB       SER  15  -3.232   4.106  -2.409
   68    HG   SER  15           HG       SER  15  -4.522   6.337  -1.255
   69    H    ASN  16           H        ASN  16  -1.379   6.155   1.031
   70    HA   ASN  16           HA       ASN  16  -1.872   3.431   2.040
   71   1HB   ASN  16          1HB       ASN  16  -0.076   3.905   3.717
   72   2HB   ASN  16          2HB       ASN  16   0.503   3.846   2.055
   73   1HD2  ASN  16          1HD2      ASN  16   1.942   5.052   4.066
   74   2HD2  ASN  16          2HD2      ASN  16   1.992   6.757   3.791
   75    H    GLN  17           H        GLN  17  -3.557   5.944   1.931
   76    HA   GLN  17           HA       GLN  17  -3.977   6.373   4.804
   77   1HB   GLN  17          2HB       GLN  17  -4.666   8.487   4.342
   78   2HB   GLN  17          1HB       GLN  17  -3.668   8.239   2.923
   79   1HG   GLN  17          1HG       GLN  17  -5.606   7.729   1.589
   80   2HG   GLN  17          2HG       GLN  17  -6.648   7.852   3.006
   81   1HE2  GLN  17          1HE2      GLN  17  -7.896   9.514   2.297
   82   2HE2  GLN  17          2HE2      GLN  17  -7.303  11.115   2.037
   83    HA   PRO  18           HA       PRO  18  -7.963   4.633   5.426
   84   1HB   PRO  18          2HB       PRO  18  -9.269   7.131   4.400
   85   2HB   PRO  18          1HB       PRO  18  -9.719   6.121   5.781
   86   1HG   PRO  18          1HG       PRO  18  -8.337   8.365   6.149
   87   2HG   PRO  18          2HG       PRO  18  -7.977   6.913   7.095
   88   1HD   PRO  18          2HD       PRO  18  -6.444   8.175   4.912
   89   2HD   PRO  18          1HD       PRO  18  -5.869   7.151   6.237
   90    H    VAL  19           H        VAL  19  -7.537   6.276   2.337
   91    HA   VAL  19           HA       VAL  19  -9.561   4.658   1.064
   92    HB   VAL  19           HB       VAL  19  -8.589   5.737  -1.064
   93   1HG1  VAL  19          1HG2      VAL  19 -10.630   6.587  -0.533
   94   2HG1  VAL  19          2HG2      VAL  19  -9.653   8.020  -0.209
   95   3HG1  VAL  19          3HG2      VAL  19 -10.159   6.980   1.123
   96   1HG2  VAL  19          1HG1      VAL  19  -7.473   7.733   0.872
   97   2HG2  VAL  19          2HG1      VAL  19  -7.194   7.595  -0.864
   98   3HG2  VAL  19          3HG1      VAL  19  -6.484   6.417   0.241
   99    H    ASN  20           H        ASN  20  -8.029   2.861   2.105
  100    HA   ASN  20           HA       ASN  20  -5.841   2.000   0.503
  101   1HB   ASN  20          2HB       ASN  20  -7.559   0.319   2.351
  102   2HB   ASN  20          1HB       ASN  20  -5.897   0.013   1.874
  103   1HD2  ASN  20          1HD2      ASN  20  -4.461   2.042   2.276
  104   2HD2  ASN  20          2HD2      ASN  20  -4.566   2.667   3.885
  105    HA   PRO  21           HA       PRO  21  -7.586  -0.354  -2.766
  106   1HB   PRO  21          1HB       PRO  21  -7.315  -3.006  -1.453
  107   2HB   PRO  21          2HB       PRO  21  -6.759  -2.459  -3.052
  108   1HG   PRO  21          2HG       PRO  21  -5.031  -2.687  -1.041
  109   2HG   PRO  21          1HG       PRO  21  -4.937  -1.307  -2.142
  110   1HD   PRO  21          1HD       PRO  21  -6.056  -1.482   0.626
  111   2HD   PRO  21          2HD       PRO  21  -5.033  -0.221  -0.097
  112    H    ARG  22           H        ARG  22  -9.099  -0.719   0.310
  113    HA   ARG  22           HA       ARG  22 -11.374  -2.219  -0.201
  114   1HB   ARG  22          1HB       ARG  22 -10.717   0.091   1.500
  115   2HB   ARG  22          2HB       ARG  22 -12.417  -0.014   1.063
  116   1HG   ARG  22          1HG       ARG  22 -12.509  -2.286   1.954
  117   2HG   ARG  22          2HG       ARG  22 -10.803  -2.182   2.391
  118   1HD   ARG  22          1HD       ARG  22 -11.725   0.034   3.599
  119   2HD   ARG  22          2HD       ARG  22 -13.171  -0.971   3.671
  120   1HH1  ARG  22          1HH1      ARG  22 -13.646  -2.837   3.981
  121   2HH1  ARG  22          2HH1      ARG  22 -13.619  -4.099   5.166
  122   1HH2  ARG  22          2HH2      ARG  22 -10.657  -3.013   6.674
  123   2HH2  ARG  22          1HH2      ARG  22 -11.918  -4.199   6.698
  124    H    SER  23           H        SER  23 -10.331   0.860  -1.351
  125    HA   SER  23           HA       SER  23 -12.580   1.056  -3.225
  126   1HB   SER  23          2HB       SER  23 -10.396   3.114  -2.888
  127   2HB   SER  23          1HB       SER  23 -12.017   3.337  -3.535
  128    HG   SER  23           HG       SER  23 -12.399   2.528  -1.094
  129    H    LEU  24           H        LEU  24 -11.947  -0.561  -4.644
  130    HA   LEU  24           HA       LEU  24  -9.396  -0.161  -6.082
  131   1HB   LEU  24          2HB       LEU  24  -8.737  -1.762  -4.462
  132   2HB   LEU  24          1HB       LEU  24 -10.203  -2.696  -4.677
  133    HG   LEU  24           HG       LEU  24  -8.779  -2.555  -7.173
  134   1HD1  LEU  24          1HD2      LEU  24  -6.943  -2.325  -5.226
  135   2HD1  LEU  24          2HD2      LEU  24  -6.660  -3.225  -6.716
  136   3HD1  LEU  24          3HD2      LEU  24  -7.130  -4.078  -5.246
  137   1HD2  LEU  24          1HD1      LEU  24  -8.803  -5.038  -6.861
  138   2HD2  LEU  24          2HD1      LEU  24 -10.380  -4.255  -6.741
  139   3HD2  LEU  24          3HD1      LEU  24  -9.534  -4.765  -5.280
  140    H    GLU  25           H        GLU  25  -9.523  -0.643  -8.252
  141    HA   GLU  25           HA       GLU  25 -11.861  -2.131  -9.206
  142   1HB   GLU  25          1HB       GLU  25 -12.193   0.517  -9.044
  143   2HB   GLU  25          2HB       GLU  25 -11.391   0.458 -10.603
  144   1HG   GLU  25          1HG       GLU  25 -13.091  -0.868 -11.543
  145   2HG   GLU  25          2HG       GLU  25 -13.792  -1.219  -9.964
  146    H    LYS  26           H        LYS  26  -9.555   0.067 -10.778
  147    HA   LYS  26           HA       LYS  26  -8.817  -2.133 -12.577
  148   1HB   LYS  26          2HB       LYS  26  -8.007   0.676 -13.159
  149   2HB   LYS  26          1HB       LYS  26  -8.444  -0.614 -14.268
  150   1HG   LYS  26          2HG       LYS  26 -10.482   0.713 -12.510
  151   2HG   LYS  26          1HG       LYS  26 -10.027   1.368 -14.086
  152   1HD   LYS  26          2HD       LYS  26 -10.489  -1.355 -14.520
  153   2HD   LYS  26          1HD       LYS  26 -11.790  -0.823 -13.452
  154   1HE   LYS  26          2HE       LYS  26 -12.407   0.924 -14.983
  155   2HE   LYS  26          1HE       LYS  26 -11.013   0.578 -16.004
  156   1HZ   LYS  26          1HZ       LYS  26 -13.556  -0.531 -16.144
  157   2HZ   LYS  26          2HZ       LYS  26 -12.524  -1.766 -15.650
  158   1HN   MLE  27          1HM       LEM  27  -6.714  -4.223 -10.757
  159   2HN   MLE  27          2HM       LEM  27  -7.758  -3.607 -12.033
  160   3HN   MLE  27          3HM       LEM  27  -8.229  -3.426 -10.344
  161    HA   MLE  27           HA       LEM  27  -5.087  -1.220 -10.400
  162   1HB   MLE  27          1HB       LEM  27  -5.089  -3.483  -8.650
  163   2HB   MLE  27          2HB       LEM  27  -6.696  -2.783  -8.675
  164    HG   MLE  27           HG       LEM  27  -4.600  -0.786  -8.398
  165   1HD1  MLE  27          1HD1      LEM  27  -7.286  -1.372  -7.446
  166   2HD1  MLE  27          2HD1      LEM  27  -6.504   0.176  -7.749
  167   3HD1  MLE  27          3HD1      LEM  27  -6.244  -0.658  -6.216
  168   1HD2  MLE  27          1HD2      LEM  27  -3.927  -3.061  -7.154
  169   2HD2  MLE  27          2HD2      LEM  27  -4.937  -2.315  -5.922
  170   3HD2  MLE  27          3HD2      LEM  27  -3.531  -1.455  -6.553
  171    H    GLU  28           H        GLU  28  -3.609  -1.604 -11.909
  172    HA   GLU  28           HA       GLU  28  -2.946  -4.328 -12.681
  173   1HB   GLU  28          1HB       GLU  28  -3.135  -2.765 -14.481
  174   2HB   GLU  28          2HB       GLU  28  -2.006  -1.687 -13.693
  175   1HG   GLU  28          1HG       GLU  28  -0.618  -2.617 -15.205
  176   2HG   GLU  28          2HG       GLU  28  -0.398  -3.755 -13.879
  177    H    ILE  29           H        ILE  29  -1.682  -5.353 -11.240
  178    HA   ILE  29           HA       ILE  29   0.302  -3.864  -9.752
  179    HB   ILE  29           HB       ILE  29   0.531  -5.743  -8.352
  180   1HG1  ILE  29          1HG1      ILE  29  -0.795  -7.903  -9.034
  181   2HG1  ILE  29          2HG1      ILE  29  -0.616  -7.272 -10.668
  182   1HG2  ILE  29          1HG2      ILE  29  -1.499  -5.590  -7.424
  183   2HG2  ILE  29          2HG2      ILE  29  -2.299  -6.253  -8.849
  184   3HG2  ILE  29          3HG2      ILE  29  -1.889  -4.540  -8.788
  185   1HD1  ILE  29          1HD1      ILE  29   1.290  -8.648  -9.011
  186   2HD1  ILE  29          2HD1      ILE  29   1.924  -7.094  -9.555
  187   3HD1  ILE  29          3HD1      ILE  29   1.353  -8.275 -10.734
  188    H    ILE  30           H        ILE  30   2.454  -4.029  -9.880
  189    HA   ILE  30           HA       ILE  30   3.619  -5.793 -11.919
  190    HB   ILE  30           HB       ILE  30   5.090  -3.305 -11.466
  191   1HG1  ILE  30          2HG1      ILE  30   2.865  -2.340 -11.511
  192   2HG1  ILE  30          1HG1      ILE  30   3.661  -2.047 -13.045
  193   1HG2  ILE  30          1HG2      ILE  30   4.578  -3.765 -14.185
  194   2HG2  ILE  30          2HG2      ILE  30   4.792  -5.353 -13.453
  195   3HG2  ILE  30          3HG2      ILE  30   6.052  -4.130 -13.290
  196   1HD1  ILE  30          1HD1      ILE  30   2.228  -4.471 -13.258
  197   2HD1  ILE  30          2HD1      ILE  30   1.979  -2.956 -14.125
  198   3HD1  ILE  30          3HD1      ILE  30   1.161  -3.237 -12.590
  199    HA   PRO  31           HA       PRO  31   6.373  -6.744  -8.558
  200   1HB   PRO  31          1HB       PRO  31   8.350  -8.005  -9.860
  201   2HB   PRO  31          2HB       PRO  31   6.711  -8.658  -9.803
  202   1HG   PRO  31          1HG       PRO  31   8.152  -7.375 -12.041
  203   2HG   PRO  31          2HG       PRO  31   6.818  -8.539 -12.081
  204   1HD   PRO  31          1HD       PRO  31   6.688  -5.692 -12.369
  205   2HD   PRO  31          2HD       PRO  31   5.345  -6.853 -12.386
  206    H    ALA  32           H        ALA  32   7.135  -4.811  -7.685
  207    HA   ALA  32           HA       ALA  32   9.422  -3.505  -8.931
  208   1HB   ALA  32          1HB       ALA  32   7.977  -2.764  -6.397
  209   2HB   ALA  32          2HB       ALA  32   7.591  -2.135  -8.000
  210   3HB   ALA  32          3HB       ALA  32   9.158  -1.786  -7.265
  211    H    SER  33           H        SER  33  11.467  -3.690  -8.246
  212    HA   SER  33           HA       SER  33  12.176  -4.517  -5.612
  213   1HB   SER  33          2HB       SER  33  11.564  -6.654  -7.115
  214   2HB   SER  33          1HB       SER  33  13.238  -6.435  -7.624
  215    HG   SER  33           HG       SER  33  13.437  -7.671  -5.867
  216    H    GLN  34           H        GLN  34  13.289  -4.360  -8.972
  217    HA   GLN  34           HA       GLN  34  15.977  -3.965  -8.623
  218   1HB   GLN  34          1HB       GLN  34  15.807  -2.519 -10.728
  219   2HB   GLN  34          2HB       GLN  34  15.201  -4.166 -10.838
  220   1HG   GLN  34          1HG       GLN  34  13.066  -2.489 -10.009
  221   2HG   GLN  34          2HG       GLN  34  13.854  -1.744 -11.399
  222   1HE2  GLN  34          1HE2      GLN  34  11.711  -4.128 -10.343
  223   2HE2  GLN  34          2HE2      GLN  34  11.473  -4.933 -11.853
  224    H    PHE  35           H        PHE  35  13.386  -1.778  -7.906
  225    HA   PHE  35           HA       PHE  35  15.362   0.174  -6.950
  226   1HB   PHE  35          1HB       PHE  35  13.554   0.579  -9.079
  227   2HB   PHE  35          2HB       PHE  35  12.920   1.493  -7.715
  228    HD1  PHE  35           HD1      PHE  35  15.674   2.055  -6.465
  229    HD2  PHE  35           HD2      PHE  35  14.138   2.460 -10.413
  230    HE1  PHE  35           HE1      PHE  35  17.299   3.848  -6.908
  231    HE2  PHE  35           HE2      PHE  35  15.760   4.255 -10.864
  232    HZ   PHE  35           HZ       PHE  35  17.344   4.951  -9.110
  233    H    CYS  36           H        CYS  36  11.910  -0.723  -6.815
  234    HA   CYS  36           HA       CYS  36  12.007  -0.197  -3.926
  235   1HB   CYS  36          1HB       CYS  36  10.443   1.164  -5.860
  236   2HB   CYS  36          2HB       CYS  36   9.344   0.169  -4.916
  237    HA   PRO  37           HA       PRO  37  10.792  -4.572  -4.268
  238   1HB   PRO  37          2HB       PRO  37  11.427  -4.357  -1.371
  239   2HB   PRO  37          1HB       PRO  37  11.947  -5.565  -2.554
  240   1HG   PRO  37          1HG       PRO  37  13.677  -3.743  -1.790
  241   2HG   PRO  37          2HG       PRO  37  13.514  -4.101  -3.526
  242   1HD   PRO  37          2HD       PRO  37  12.298  -1.833  -1.967
  243   2HD   PRO  37          1HD       PRO  37  13.239  -1.768  -3.475
  244    H    ARG  38           H        ARG  38   8.661  -3.317  -4.558
  245    HA   ARG  38           HA       ARG  38   6.836  -4.216  -2.474
  246   1HB   ARG  38          1HB       ARG  38   6.461  -1.436  -3.553
  247   2HB   ARG  38          2HB       ARG  38   5.751  -2.166  -2.122
  248   1HG   ARG  38          1HG       ARG  38   8.697  -1.698  -2.246
  249   2HG   ARG  38          2HG       ARG  38   7.598  -0.372  -1.877
  250   1HD   ARG  38          2HD       ARG  38   6.602  -2.057  -0.151
  251   2HD   ARG  38          1HD       ARG  38   8.169  -2.847  -0.311
  252   1HH1  ARG  38          2HH2      ARG  38  10.059  -2.163  -0.674
  253   2HH1  ARG  38          1HH2      ARG  38  11.375  -1.342   0.098
  254   1HH2  ARG  38          2HH1      ARG  38   9.327   0.693   2.068
  255   2HH2  ARG  38          1HH1      ARG  38  10.958   0.282   1.656
  256    H    VAL  39           H        VAL  39   4.552  -2.900  -3.616
  257    HA   VAL  39           HA       VAL  39   4.409  -4.381  -6.142
  258    HB   VAL  39           HB       VAL  39   1.930  -3.263  -4.893
  259   1HG1  VAL  39          1HG1      VAL  39   2.202  -4.523  -7.147
  260   2HG1  VAL  39          2HG1      VAL  39   0.865  -4.936  -6.073
  261   3HG1  VAL  39          3HG1      VAL  39   2.298  -5.962  -6.130
  262   1HG2  VAL  39          1HG2      VAL  39   3.145  -5.885  -4.016
  263   2HG2  VAL  39          2HG2      VAL  39   1.687  -5.109  -3.400
  264   3HG2  VAL  39          3HG2      VAL  39   3.270  -4.400  -3.075
  265    H    GLU  40           H        GLU  40   4.459  -3.307  -7.983
  266    HA   GLU  40           HA       GLU  40   4.119  -0.409  -7.992
  267   1HB   GLU  40          1HB       GLU  40   5.352  -2.417  -9.773
  268   2HB   GLU  40          2HB       GLU  40   4.460  -1.157 -10.618
  269   1HG   GLU  40          1HG       GLU  40   6.513  -0.514  -8.530
  270   2HG   GLU  40          2HG       GLU  40   6.940  -0.781 -10.221
  271    H    ILE  41           H        ILE  41   2.143   0.466  -8.435
  272    HA   ILE  41           HA       ILE  41   0.277  -1.182  -9.956
  273    HB   ILE  41           HB       ILE  41   0.362  -1.506  -7.325
  274   1HG1  ILE  41          1HG1      ILE  41  -1.003  -2.813  -8.796
  275   2HG1  ILE  41          2HG1      ILE  41  -2.005  -2.257  -7.459
  276   1HG2  ILE  41          1HG2      ILE  41  -1.632   0.726  -7.627
  277   2HG2  ILE  41          2HG2      ILE  41  -0.139   0.768  -6.693
  278   3HG2  ILE  41          3HG2      ILE  41  -1.454  -0.299  -6.203
  279   1HD1  ILE  41          1HD1      ILE  41  -2.005  -1.365 -10.304
  280   2HD1  ILE  41          2HD1      ILE  41  -2.667  -0.345  -9.028
  281   3HD1  ILE  41          3HD1      ILE  41  -3.326  -1.949  -9.311
  282    H    ILE  42           H        ILE  42  -0.928  -0.106 -11.292
  283    HA   ILE  42           HA       ILE  42  -1.393   2.766 -10.889
  284    HB   ILE  42           HB       ILE  42  -2.235   1.133 -13.282
  285   1HG1  ILE  42          2HG1      ILE  42   0.210   1.003 -13.068
  286   2HG1  ILE  42          1HG1      ILE  42  -0.243   2.020 -14.433
  287   1HG2  ILE  42          1HG2      ILE  42  -2.508   3.888 -12.410
  288   2HG2  ILE  42          2HG2      ILE  42  -3.349   3.021 -13.699
  289   3HG2  ILE  42          3HG2      ILE  42  -1.779   3.760 -14.014
  290   1HD1  ILE  42          1HD1      ILE  42   1.080   2.734 -11.889
  291   2HD1  ILE  42          2HD1      ILE  42  -0.019   3.917 -12.599
  292   3HD1  ILE  42          3HD1      ILE  42   1.361   3.328 -13.525
  293    H    ALA  43           H        ALA  43  -2.841   2.589  -9.206
  294    HA   ALA  43           HA       ALA  43  -5.047   0.745  -9.414
  295   1HB   ALA  43          1HB       ALA  43  -4.027   0.717  -7.316
  296   2HB   ALA  43          2HB       ALA  43  -5.495   1.657  -7.055
  297   3HB   ALA  43          3HB       ALA  43  -3.948   2.478  -7.234
  298    H    THR  44           H        THR  44  -6.979   1.172 -10.037
  299    HA   THR  44           HA       THR  44  -7.994   3.925  -9.867
  300    HB   THR  44           HB       THR  44  -8.888   1.651 -11.652
  301    HG1  THR  44           HG1      THR  44  -7.039   3.038 -12.238
  302   1HG2  THR  44          1HG2      THR  44 -10.822   2.953 -10.818
  303   2HG2  THR  44          2HG2      THR  44 -10.572   3.076 -12.561
  304   3HG2  THR  44          3HG2      THR  44 -10.086   4.401 -11.506
  305    H    MET  45           H        MET  45  -9.485   4.229  -8.300
  306    HA   MET  45           HA       MET  45 -10.117   1.945  -6.680
  307   1HB   MET  45          2HB       MET  45 -10.998   4.786  -6.205
  308   2HB   MET  45          1HB       MET  45 -10.802   3.505  -5.023
  309   1HG   MET  45          1HG       MET  45  -8.702   5.100  -6.418
  310   2HG   MET  45          2HG       MET  45  -8.982   4.894  -4.691
  311   1HE   MET  45          1HE       MET  45  -5.524   3.212  -4.888
  312   2HE   MET  45          2HE       MET  45  -6.568   4.339  -4.022
  313   3HE   MET  45          3HE       MET  45  -6.062   4.696  -5.675
  314    H    LYS  46           H        LYS  46 -11.903   0.833  -6.601
  315    HA   LYS  46           HA       LYS  46 -14.343   1.832  -7.865
  316   1HB   LYS  46          2HB       LYS  46 -13.504  -0.624  -8.133
  317   2HB   LYS  46          1HB       LYS  46 -14.096  -0.836  -6.497
  318   1HG   LYS  46          1HG       LYS  46 -16.323  -0.040  -7.272
  319   2HG   LYS  46          2HG       LYS  46 -15.692  -0.048  -8.921
  320   1HD   LYS  46          1HD       LYS  46 -15.176  -2.450  -8.679
  321   2HD   LYS  46          2HD       LYS  46 -15.898  -2.421  -7.068
  322   1HE   LYS  46          2HE       LYS  46 -17.971  -2.537  -7.887
  323   2HE   LYS  46          1HE       LYS  46 -17.648  -1.295  -9.095
  324   1HZ   LYS  46          1HZ       LYS  46 -16.271  -3.436 -10.009
  325   2HZ   LYS  46          2HZ       LYS  46 -17.779  -2.928 -10.562
  326    H    LYS  47           H        LYS  47 -15.105   3.283  -6.541
  327    HA   LYS  47           HA       LYS  47 -16.353   2.788  -4.120
  328   1HB   LYS  47          2HB       LYS  47 -13.881   2.498  -3.440
  329   2HB   LYS  47          1HB       LYS  47 -13.745   4.229  -3.679
  330   1HG   LYS  47          2HG       LYS  47 -14.146   3.340  -1.318
  331   2HG   LYS  47          1HG       LYS  47 -15.115   4.708  -1.869
  332   1HD   LYS  47          2HD       LYS  47 -17.043   3.486  -1.933
  333   2HD   LYS  47          1HD       LYS  47 -16.203   1.981  -2.315
  334   1HE   LYS  47          2HE       LYS  47 -16.523   1.418  -0.183
  335   2HE   LYS  47          1HE       LYS  47 -15.280   2.607   0.207
  336   1HZ   LYS  47          1HZ       LYS  47 -18.196   3.128   0.092
  337   2HZ   LYS  47          2HZ       LYS  47 -17.294   2.931   1.501
  338    H    LYS  48           H        LYS  48 -14.469   4.995  -6.033
  339    HA   LYS  48           HA       LYS  48 -16.614   6.908  -6.145
  340   1HB   LYS  48          2HB       LYS  48 -15.981   7.920  -4.253
  341   2HB   LYS  48          1HB       LYS  48 -14.442   7.081  -4.222
  342   1HG   LYS  48          2HG       LYS  48 -13.452   8.750  -5.641
  343   2HG   LYS  48          1HG       LYS  48 -15.025   9.507  -5.896
  344   1HD   LYS  48          1HD       LYS  48 -13.849  10.820  -4.283
  345   2HD   LYS  48          2HD       LYS  48 -15.117   9.938  -3.429
  346   1HE   LYS  48          1HE       LYS  48 -12.839   8.283  -3.430
  347   2HE   LYS  48          2HE       LYS  48 -12.286   9.901  -3.002
  348   1HZ   LYS  48          1HZ       LYS  48 -14.591   8.582  -1.698
  349   2HZ   LYS  48          2HZ       LYS  48 -13.014   8.450  -1.117
  350    H    GLY  49           H        GLY  49 -14.754   5.229  -7.882
  351   1HA   GLY  49          2HA       GLY  49 -13.638   5.430  -9.877
  352   2HA   GLY  49          1HA       GLY  49 -14.643   6.855 -10.112
  353    H    GLU  50           H        GLU  50 -11.730   5.822  -8.344
  354    HA   GLU  50           HA       GLU  50 -10.569   8.464  -8.962
  355   1HB   GLU  50          1HB       GLU  50 -11.045   7.912  -6.514
  356   2HB   GLU  50          2HB       GLU  50  -9.760   6.721  -6.638
  357   1HG   GLU  50          2HG       GLU  50  -8.132   8.272  -6.624
  358   2HG   GLU  50          1HG       GLU  50  -9.079   9.431  -7.557
  359    H    LYS  51           H        LYS  51  -8.233   8.515  -9.236
  360    HA   LYS  51           HA       LYS  51  -7.113   5.962 -10.190
  361   1HB   LYS  51          1HB       LYS  51  -6.697   8.663 -11.487
  362   2HB   LYS  51          2HB       LYS  51  -6.041   7.127 -12.038
  363   1HG   LYS  51          2HG       LYS  51  -8.540   6.418 -12.175
  364   2HG   LYS  51          1HG       LYS  51  -8.838   8.157 -12.189
  365   1HD   LYS  51          1HD       LYS  51  -7.908   8.440 -14.248
  366   2HD   LYS  51          2HD       LYS  51  -6.757   7.120 -14.029
  367   1HE   LYS  51          1HE       LYS  51  -8.109   6.063 -15.492
  368   2HE   LYS  51          2HE       LYS  51  -9.056   5.730 -14.042
  369   1HZ   LYS  51          1HZ       LYS  51 -10.308   6.636 -15.992
  370   2HZ   LYS  51          2HZ       LYS  51  -9.504   8.097 -15.759
  371    H    ARG  52           H        ARG  52  -5.269   5.443  -9.221
  372    HA   ARG  52           HA       ARG  52  -3.408   7.512  -8.373
  373   1HB   ARG  52          1HB       ARG  52  -5.231   6.782  -6.555
  374   2HB   ARG  52          2HB       ARG  52  -4.075   5.482  -6.301
  375   1HG   ARG  52          2HG       ARG  52  -3.406   7.072  -4.767
  376   2HG   ARG  52          1HG       ARG  52  -2.334   7.390  -6.133
  377   1HD   ARG  52          1HD       ARG  52  -3.123   9.456  -6.353
  378   2HD   ARG  52          2HD       ARG  52  -4.784   8.868  -6.414
  379   1HH1  ARG  52          2HH1      ARG  52  -1.641   9.398  -4.979
  380   2HH1  ARG  52          1HH1      ARG  52  -1.160  10.089  -3.467
  381   1HH2  ARG  52          1HH2      ARG  52  -4.419  10.370  -2.230
  382   2HH2  ARG  52          2HH2      ARG  52  -2.740  10.641  -1.902
  383    H    CYS  53           H        CYS  53  -1.346   6.637  -7.640
  384    HA   CYS  53           HA       CYS  53  -0.804   3.952  -8.737
  385   1HB   CYS  53          2HB       CYS  53   0.263   5.875  -9.978
  386   2HB   CYS  53          1HB       CYS  53   1.177   6.229  -8.515
  387    H    LEU  54           H        LEU  54  -0.935   2.735  -6.914
  388    HA   LEU  54           HA       LEU  54   0.226   3.693  -4.444
  389   1HB   LEU  54          2HB       LEU  54  -0.934   0.961  -4.729
  390   2HB   LEU  54          1HB       LEU  54  -0.982   2.055  -3.361
  391    HG   LEU  54           HG       LEU  54  -2.686   2.079  -5.833
  392   1HD1  LEU  54          1HD1      LEU  54  -4.072   2.582  -3.413
  393   2HD1  LEU  54          2HD1      LEU  54  -3.002   1.205  -3.155
  394   3HD1  LEU  54          3HD1      LEU  54  -4.175   1.175  -4.471
  395   1HD2  LEU  54          1HD2      LEU  54  -2.410   4.325  -5.813
  396   2HD2  LEU  54          2HD2      LEU  54  -1.889   4.358  -4.128
  397   3HD2  LEU  54          3HD2      LEU  54  -3.604   4.218  -4.520
  398    H    ASN  55           H        ASN  55   1.498   2.272  -3.089
  399    HA   ASN  55           HA       ASN  55   3.201   0.341  -4.418
  400   1HB   ASN  55          1HB       ASN  55   4.180   2.951  -3.287
  401   2HB   ASN  55          2HB       ASN  55   5.212   1.524  -3.235
  402   1HD2  ASN  55          2HD2      ASN  55   5.927   0.606  -5.177
  403   2HD2  ASN  55          1HD2      ASN  55   5.925   1.503  -6.655
  404    HA   PRO  56           HA       PRO  56   1.062  -0.945  -0.491
  405   1HB   PRO  56          1HB       PRO  56   2.710  -3.155  -1.697
  406   2HB   PRO  56          2HB       PRO  56   1.260  -3.305  -0.691
  407   1HG   PRO  56          1HG       PRO  56   0.983  -3.295  -3.316
  408   2HG   PRO  56          2HG       PRO  56  -0.117  -2.327  -2.328
  409   1HD   PRO  56          2HD       PRO  56   2.071  -1.434  -4.113
  410   2HD   PRO  56          1HD       PRO  56   0.638  -0.548  -3.553
  411    H    GLU  57           H        GLU  57   2.092   0.276   0.971
  412    HA   GLU  57           HA       GLU  57   4.215  -1.078   2.414
  413   1HB   GLU  57          2HB       GLU  57   5.215   1.249   2.917
  414   2HB   GLU  57          1HB       GLU  57   5.591   0.518   1.362
  415   1HG   GLU  57          1HG       GLU  57   4.780   2.281   0.313
  416   2HG   GLU  57          2HG       GLU  57   3.210   2.037   1.079
  417    H    SER  58           H        SER  58   1.772  -1.402   3.121
  418    HA   SER  58           HA       SER  58   1.346   0.090   5.539
  419   1HB   SER  58          2HB       SER  58  -0.074   0.800   3.075
  420   2HB   SER  58          1HB       SER  58  -1.174   0.380   4.386
  421    HG   SER  58           HG       SER  58  -0.807   2.378   4.958
  422    H    LYS  59           H        LYS  59  -1.306  -0.555   6.038
  423    HA   LYS  59           HA       LYS  59  -1.124  -3.413   6.420
  424   1HB   LYS  59          1HB       LYS  59  -3.184  -1.430   7.334
  425   2HB   LYS  59          2HB       LYS  59  -3.159  -3.127   7.778
  426   1HG   LYS  59          1HG       LYS  59  -0.622  -2.222   8.415
  427   2HG   LYS  59          2HG       LYS  59  -1.691  -0.902   8.890
  428   1HD   LYS  59          2HD       LYS  59  -2.077  -2.049  10.763
  429   2HD   LYS  59          1HD       LYS  59  -3.008  -3.172   9.769
  430   1HE   LYS  59          1HE       LYS  59  -0.385  -3.967   9.393
  431   2HE   LYS  59          2HE       LYS  59  -0.456  -3.543  11.103
  432   1HZ   LYS  59          1HZ       LYS  59  -1.501  -5.421  11.508
  433   2HZ   LYS  59          2HZ       LYS  59  -2.747  -5.008  10.451
  434    H    ALA  60           H        ALA  60  -4.090  -1.612   5.642
  435    HA   ALA  60           HA       ALA  60  -5.366  -3.651   4.272
  436   1HB   ALA  60          1HB       ALA  60  -6.392  -1.503   3.010
  437   2HB   ALA  60          2HB       ALA  60  -5.670  -0.726   4.418
  438   3HB   ALA  60          3HB       ALA  60  -6.864  -2.007   4.633
  439    H    ILE  61           H        ILE  61  -2.918  -1.451   3.217
  440    HA   ILE  61           HA       ILE  61  -3.094  -1.580   0.465
  441    HB   ILE  61           HB       ILE  61  -1.325  -0.582   2.351
  442   1HG1  ILE  61          1HG1      ILE  61  -1.833   0.751   0.530
  443   2HG1  ILE  61          2HG1      ILE  61  -0.145   0.355   0.258
  444   1HG2  ILE  61          1HG2      ILE  61   0.130  -2.423   2.417
  445   2HG2  ILE  61          2HG2      ILE  61   0.912  -1.196   1.430
  446   3HG2  ILE  61          3HG2      ILE  61   0.143  -2.573   0.661
  447   1HD1  ILE  61          1HD1      ILE  61  -0.697  -0.303  -1.772
  448   2HD1  ILE  61          2HD1      ILE  61  -2.416  -0.143  -1.412
  449   3HD1  ILE  61          3HD1      ILE  61  -1.575  -1.648  -1.043
  450    H    LYS  62           H        LYS  62  -1.806  -3.920   2.775
  451    HA   LYS  62           HA       LYS  62  -0.589  -5.724   1.010
  452   1HB   LYS  62          2HB       LYS  62  -2.092  -6.328   3.568
  453   2HB   LYS  62          1HB       LYS  62  -0.983  -7.421   2.754
  454   1HG   LYS  62          1HG       LYS  62   0.864  -5.922   3.176
  455   2HG   LYS  62          2HG       LYS  62  -0.228  -4.740   3.897
  456   1HD   LYS  62          1HD       LYS  62  -0.453  -5.918   5.831
  457   2HD   LYS  62          2HD       LYS  62  -0.261  -7.479   5.029
  458   1HE   LYS  62          2HE       LYS  62   1.934  -5.498   5.625
  459   2HE   LYS  62          1HE       LYS  62   1.637  -7.010   6.481
  460   1HZ   LYS  62          1HZ       LYS  62   2.734  -6.575   3.801
  461   2HZ   LYS  62          2HZ       LYS  62   1.868  -7.991   4.093
  462    H    ASN  63           H        ASN  63  -3.908  -5.074   1.810
  463    HA   ASN  63           HA       ASN  63  -5.045  -7.362   0.535
  464   1HB   ASN  63          1HB       ASN  63  -6.399  -4.697   0.970
  465   2HB   ASN  63          2HB       ASN  63  -7.152  -6.284   0.838
  466   1HD2  ASN  63          2HD2      ASN  63  -8.093  -6.569   2.744
  467   2HD2  ASN  63          1HD2      ASN  63  -7.296  -6.474   4.274
  468    H    LEU  64           H        LEU  64  -3.834  -4.292  -0.502
  469    HA   LEU  64           HA       LEU  64  -5.112  -3.845  -2.894
  470   1HB   LEU  64          2HB       LEU  64  -3.304  -2.364  -2.013
  471   2HB   LEU  64          1HB       LEU  64  -2.127  -3.581  -2.452
  472    HG   LEU  64           HG       LEU  64  -3.502  -3.174  -4.801
  473   1HD1  LEU  64          1HD1      LEU  64  -3.095  -0.565  -4.913
  474   2HD1  LEU  64          2HD1      LEU  64  -3.461  -0.679  -3.194
  475   3HD1  LEU  64          3HD1      LEU  64  -4.638  -1.238  -4.386
  476   1HD2  LEU  64          1HD2      LEU  64  -1.447  -2.726  -5.635
  477   2HD2  LEU  64          2HD2      LEU  64  -0.910  -3.247  -4.039
  478   3HD2  LEU  64          3HD2      LEU  64  -1.081  -1.528  -4.395
  479    H    LEU  65           H        LEU  65  -2.007  -5.489  -2.596
  480    HA   LEU  65           HA       LEU  65  -2.253  -6.579  -5.228
  481   1HB   LEU  65          2HB       LEU  65  -0.072  -6.041  -4.407
  482   2HB   LEU  65          1HB       LEU  65  -0.281  -7.066  -2.999
  483    HG   LEU  65           HG       LEU  65  -0.231  -9.057  -4.425
  484   1HD1  LEU  65          1HD2      LEU  65  -0.128  -9.036  -6.707
  485   2HD1  LEU  65          2HD2      LEU  65   0.621  -7.441  -6.771
  486   3HD1  LEU  65          3HD2      LEU  65  -1.103  -7.593  -6.433
  487   1HD2  LEU  65          1HD1      LEU  65   1.905  -7.369  -3.807
  488   2HD2  LEU  65          2HD1      LEU  65   2.182  -7.894  -5.468
  489   3HD2  LEU  65          3HD1      LEU  65   1.974  -9.090  -4.188
  490    H    LYS  66           H        LYS  66  -3.019  -7.785  -2.060
  491    HA   LYS  66           HA       LYS  66  -3.109 -10.548  -2.841
  492   1HB   LYS  66          1HB       LYS  66  -2.734  -9.581  -0.483
  493   2HB   LYS  66          2HB       LYS  66  -4.480  -9.373  -0.436
  494   1HG   LYS  66          2HG       LYS  66  -4.457 -11.423   0.461
  495   2HG   LYS  66          1HG       LYS  66  -4.310 -11.954  -1.216
  496   1HD   LYS  66          2HD       LYS  66  -1.735 -11.585  -0.726
  497   2HD   LYS  66          1HD       LYS  66  -2.262 -11.859   0.936
  498   1HE   LYS  66          1HE       LYS  66  -3.509 -13.814  -0.684
  499   2HE   LYS  66          2HE       LYS  66  -1.805 -13.763  -1.135
  500   1HZ   LYS  66          1HZ       LYS  66  -1.172 -14.144   1.107
  501   2HZ   LYS  66          2HZ       LYS  66  -2.294 -15.324   0.676
  502    H    ALA  67           H        ALA  67  -5.487  -7.998  -2.306
  503    HA   ALA  67           HA       ALA  67  -7.708  -9.709  -2.937
  504   1HB   ALA  67          1HB       ALA  67  -9.029  -8.085  -2.102
  505   2HB   ALA  67          2HB       ALA  67  -8.120  -6.795  -2.889
  506   3HB   ALA  67          3HB       ALA  67  -7.512  -7.521  -1.401
  507    H    VAL  68           H        VAL  68  -5.605  -7.610  -4.669
  508    HA   VAL  68           HA       VAL  68  -7.439  -7.280  -6.876
  509    HB   VAL  68           HB       VAL  68  -5.772  -5.538  -6.193
  510   1HG1  VAL  68          1HG2      VAL  68  -3.893  -7.343  -6.081
  511   2HG1  VAL  68          2HG2      VAL  68  -3.509  -5.712  -6.633
  512   3HG1  VAL  68          3HG2      VAL  68  -3.734  -7.014  -7.805
  513   1HG2  VAL  68          1HG1      VAL  68  -6.487  -6.466  -8.850
  514   2HG2  VAL  68          2HG1      VAL  68  -5.012  -5.500  -8.847
  515   3HG2  VAL  68          3HG1      VAL  68  -6.503  -4.835  -8.180
  516    H    SER  69           H        SER  69  -4.789  -9.345  -5.966
  517    HA   SER  69           HA       SER  69  -4.584 -10.500  -8.633
  518   1HB   SER  69          2HB       SER  69  -2.471 -10.284  -7.597
  519   2HB   SER  69          1HB       SER  69  -3.067 -10.909  -6.059
  520    HG   SER  69           HG       SER  69  -1.798 -12.408  -7.362
  521    H    LYS  70           H        LYS  70  -5.818 -11.278  -5.444
  522    HA   LYS  70           HA       LYS  70  -6.992 -13.736  -6.567
  523   1HB   LYS  70          1HB       LYS  70  -5.310 -14.370  -4.961
  524   2HB   LYS  70          2HB       LYS  70  -5.946 -13.237  -3.776
  525   1HG   LYS  70          1HG       LYS  70  -8.004 -14.548  -3.627
  526   2HG   LYS  70          2HG       LYS  70  -7.358 -15.689  -4.808
  527   1HD   LYS  70          1HD       LYS  70  -6.282 -16.792  -3.209
  528   2HD   LYS  70          2HD       LYS  70  -5.447 -15.317  -2.714
  529   1HE   LYS  70          2HE       LYS  70  -7.895 -14.888  -1.650
  530   2HE   LYS  70          1HE       LYS  70  -7.803 -16.646  -1.551
  531   1HZ   LYS  70          1HZ       LYS  70  -5.620 -16.351  -0.447
  532   2HZ   LYS  70          2HZ       LYS  70  -6.933 -15.780   0.442
  Start of MODEL    4
    1    H    VAL   7           H        VAL   7  16.959   2.555  -1.768
    2    HA   VAL   7           HA       VAL   7  16.575   1.944  -4.488
    3    HB   VAL   7           HB       VAL   7  15.191  -0.259  -3.738
    4   1HG1  VAL   7          1HG1      VAL   7  18.018  -0.721  -4.477
    5   2HG1  VAL   7          2HG1      VAL   7  17.047   0.289  -5.549
    6   3HG1  VAL   7          3HG1      VAL   7  16.537  -1.360  -5.189
    7   1HG2  VAL   7          1HG2      VAL   7  16.136  -1.511  -2.109
    8   2HG2  VAL   7          2HG2      VAL   7  16.598   0.075  -1.488
    9   3HG2  VAL   7          3HG2      VAL   7  17.755  -0.883  -2.413
   10    H    ARG   8           H        ARG   8  14.756   2.959  -4.990
   11    HA   ARG   8           HA       ARG   8  12.475   2.816  -3.164
   12   1HB   ARG   8          2HB       ARG   8  13.978   5.254  -3.922
   13   2HB   ARG   8          1HB       ARG   8  12.225   5.378  -3.989
   14   1HG   ARG   8          1HG       ARG   8  12.174   4.519  -1.630
   15   2HG   ARG   8          2HG       ARG   8  13.930   4.701  -1.608
   16   1HD   ARG   8          2HD       ARG   8  12.199   6.996  -2.425
   17   2HD   ARG   8          1HD       ARG   8  12.414   6.622  -0.717
   18   1HH1  ARG   8          2HH2      ARG   8  13.835   6.092   0.503
   19   2HH1  ARG   8          1HH2      ARG   8  15.338   6.604   1.195
   20   1HH2  ARG   8          2HH1      ARG   8  16.349   8.415  -1.620
   21   2HH2  ARG   8          1HH1      ARG   8  16.767   7.925  -0.011
   22    H    CYS   9           H        CYS   9  10.582   4.136  -4.384
   23    HA   CYS   9           HA       CYS   9  10.525   2.982  -7.086
   24   1HB   CYS   9          1HB       CYS   9   7.923   3.743  -6.519
   25   2HB   CYS   9          2HB       CYS   9   8.563   2.114  -6.457
   26    H    THR  10           H        THR  10   8.557   4.359  -8.294
   27    HA   THR  10           HA       THR  10   9.600   7.109  -8.306
   28    HB   THR  10           HB       THR  10   9.219   7.150 -10.703
   29    HG1  THR  10           HG1      THR  10   8.158   5.624 -11.729
   30   1HG2  THR  10          1HG2      THR  10  11.210   6.264 -11.028
   31   2HG2  THR  10          2HG2      THR  10  10.526   4.644 -10.912
   32   3HG2  THR  10          3HG2      THR  10  11.107   5.461  -9.460
   33    H    CYS  11           H        CYS  11   6.870   5.340  -7.580
   34    HA   CYS  11           HA       CYS  11   4.929   7.211  -8.619
   35   1HB   CYS  11          2HB       CYS  11   4.737   4.784  -6.839
   36   2HB   CYS  11          1HB       CYS  11   3.351   5.829  -7.138
   37    H    ILE  12           H        ILE  12   6.053   9.054  -7.562
   38    HA   ILE  12           HA       ILE  12   6.378   9.502  -4.888
   39    HB   ILE  12           HB       ILE  12   7.030  11.136  -6.575
   40   1HG1  ILE  12          2HG1      ILE  12   6.437  13.156  -5.357
   41   2HG1  ILE  12          1HG1      ILE  12   5.056  12.347  -4.624
   42   1HG2  ILE  12          1HG2      ILE  12   4.126  11.898  -6.791
   43   2HG2  ILE  12          2HG2      ILE  12   4.952  10.858  -7.952
   44   3HG2  ILE  12          3HG2      ILE  12   5.482  12.526  -7.728
   45   1HD1  ILE  12          1HD1      ILE  12   7.448  12.647  -3.433
   46   2HD1  ILE  12          2HD1      ILE  12   7.650  11.055  -4.164
   47   3HD1  ILE  12          3HD1      ILE  12   6.311  11.353  -3.058
   48    H    SER  13           H        SER  13   3.376   9.369  -6.661
   49    HA   SER  13           HA       SER  13   1.892  10.218  -4.275
   50   1HB   SER  13          2HB       SER  13   1.514  10.649  -7.077
   51   2HB   SER  13          1HB       SER  13   0.134   9.741  -6.462
   52    HG   SER  13           HG       SER  13   0.871  12.337  -6.003
   53    H    ILE  14           H        ILE  14   2.205   8.248  -3.130
   54    HA   ILE  14           HA       ILE  14   0.947   5.860  -4.270
   55    HB   ILE  14           HB       ILE  14   1.812   4.825  -2.054
   56   1HG1  ILE  14          2HG1      ILE  14   3.670   7.203  -2.247
   57   2HG1  ILE  14          1HG1      ILE  14   2.363   7.084  -1.073
   58   1HG2  ILE  14          1HG2      ILE  14   3.936   4.319  -3.088
   59   2HG2  ILE  14          2HG2      ILE  14   3.780   5.713  -4.157
   60   3HG2  ILE  14          3HG2      ILE  14   2.670   4.352  -4.314
   61   1HD1  ILE  14          1HD1      ILE  14   4.997   5.835  -1.088
   62   2HD1  ILE  14          2HD1      ILE  14   3.679   4.736  -0.679
   63   3HD1  ILE  14          3HD1      ILE  14   3.922   6.211   0.258
   64    H    SER  15           H        SER  15  -0.571   4.621  -2.986
   65    HA   SER  15           HA       SER  15  -2.289   6.383  -1.389
   66   1HB   SER  15          2HB       SER  15  -3.439   5.421  -3.269
   67   2HB   SER  15          1HB       SER  15  -2.875   3.803  -2.855
   68    HG   SER  15           HG       SER  15  -5.097   4.420  -2.205
   69    H    ASN  16           H        ASN  16  -1.830   6.256   0.707
   70    HA   ASN  16           HA       ASN  16  -1.873   3.610   1.965
   71   1HB   ASN  16          1HB       ASN  16  -0.093   4.632   3.594
   72   2HB   ASN  16          2HB       ASN  16   0.424   3.913   2.072
   73   1HD2  ASN  16          2HD2      ASN  16   1.950   5.044   1.142
   74   2HD2  ASN  16          1HD2      ASN  16   2.084   6.767   1.123
   75    H    GLN  17           H        GLN  17  -3.790   5.795   1.650
   76    HA   GLN  17           HA       GLN  17  -4.155   6.574   4.464
   77   1HB   GLN  17          2HB       GLN  17  -4.928   8.628   3.804
   78   2HB   GLN  17          1HB       GLN  17  -3.833   8.288   2.479
   79   1HG   GLN  17          2HG       GLN  17  -6.113   7.208   1.526
   80   2HG   GLN  17          1HG       GLN  17  -6.748   8.545   2.483
   81   1HE2  GLN  17          2HE2      GLN  17  -6.853  10.446   1.526
   82   2HE2  GLN  17          1HE2      GLN  17  -5.969  10.928   0.121
   83    HA   PRO  18           HA       PRO  18  -8.113   4.819   5.221
   84   1HB   PRO  18          2HB       PRO  18  -9.455   7.265   4.123
   85   2HB   PRO  18          1HB       PRO  18  -9.857   6.318   5.561
   86   1HG   PRO  18          1HG       PRO  18  -8.485   8.583   5.788
   87   2HG   PRO  18          2HG       PRO  18  -8.078   7.174   6.784
   88   1HD   PRO  18          2HD       PRO  18  -6.638   8.343   4.478
   89   2HD   PRO  18          1HD       PRO  18  -6.001   7.411   5.844
   90    H    VAL  19           H        VAL  19  -7.752   6.326   2.060
   91    HA   VAL  19           HA       VAL  19  -9.809   4.629   0.922
   92    HB   VAL  19           HB       VAL  19  -8.945   5.678  -1.280
   93   1HG1  VAL  19          1HG2      VAL  19 -10.642   6.726   0.858
   94   2HG1  VAL  19          2HG2      VAL  19 -10.969   6.545  -0.867
   95   3HG1  VAL  19          3HG2      VAL  19 -10.083   7.953  -0.280
   96   1HG2  VAL  19          1HG1      VAL  19  -6.849   6.525  -0.143
   97   2HG2  VAL  19          2HG1      VAL  19  -7.871   7.737   0.627
   98   3HG2  VAL  19          3HG1      VAL  19  -7.726   7.694  -1.131
   99    H    ASN  20           H        ASN  20  -8.210   2.915   1.942
  100    HA   ASN  20           HA       ASN  20  -6.035   2.070   0.312
  101   1HB   ASN  20          2HB       ASN  20  -7.646   0.374   2.234
  102   2HB   ASN  20          1HB       ASN  20  -5.970   0.152   1.758
  103   1HD2  ASN  20          1HD2      ASN  20  -4.537   2.051   2.198
  104   2HD2  ASN  20          2HD2      ASN  20  -4.714   2.796   3.751
  105    HA   PRO  21           HA       PRO  21  -7.801  -0.489  -2.800
  106   1HB   PRO  21          1HB       PRO  21  -7.423  -3.074  -1.385
  107   2HB   PRO  21          2HB       PRO  21  -6.910  -2.575  -3.012
  108   1HG   PRO  21          2HG       PRO  21  -5.139  -2.671  -1.025
  109   2HG   PRO  21          1HG       PRO  21  -5.106  -1.331  -2.177
  110   1HD   PRO  21          1HD       PRO  21  -6.186  -1.432   0.609
  111   2HD   PRO  21          2HD       PRO  21  -5.195  -0.180  -0.171
  112    H    ARG  22           H        ARG  22  -9.209  -0.741   0.332
  113    HA   ARG  22           HA       ARG  22 -11.465  -2.313  -0.031
  114   1HB   ARG  22          2HB       ARG  22 -11.091   0.350   1.333
  115   2HB   ARG  22          1HB       ARG  22 -12.653  -0.456   1.310
  116   1HG   ARG  22          1HG       ARG  22 -11.732  -2.360   2.471
  117   2HG   ARG  22          2HG       ARG  22 -10.117  -1.651   2.408
  118   1HD   ARG  22          1HD       ARG  22 -10.806   0.166   3.828
  119   2HD   ARG  22          2HD       ARG  22 -12.479  -0.389   3.793
  120   1HH1  ARG  22          2HH2      ARG  22 -12.084   0.670   5.709
  121   2HH1  ARG  22          1HH2      ARG  22 -12.049   0.319   7.404
  122   1HH2  ARG  22          2HH1      ARG  22 -10.784  -2.916   7.004
  123   2HH2  ARG  22          1HH1      ARG  22 -11.309  -1.719   8.141
  124    H    SER  23           H        SER  23 -10.524   0.729  -1.360
  125    HA   SER  23           HA       SER  23 -12.816   0.745  -3.197
  126   1HB   SER  23          2HB       SER  23 -10.748   2.927  -2.796
  127   2HB   SER  23          1HB       SER  23 -12.253   3.039  -3.704
  128    HG   SER  23           HG       SER  23 -11.857   2.957  -0.920
  129    H    LEU  24           H        LEU  24 -12.198  -0.704  -4.749
  130    HA   LEU  24           HA       LEU  24  -9.577  -0.270  -6.029
  131   1HB   LEU  24          2HB       LEU  24  -9.166  -2.078  -4.473
  132   2HB   LEU  24          1HB       LEU  24 -10.534  -2.972  -5.106
  133    HG   LEU  24           HG       LEU  24  -8.394  -2.214  -7.030
  134   1HD1  LEU  24          1HD2      LEU  24  -6.833  -3.797  -6.382
  135   2HD1  LEU  24          2HD2      LEU  24  -7.987  -4.665  -5.364
  136   3HD1  LEU  24          3HD2      LEU  24  -7.340  -3.114  -4.834
  137   1HD2  LEU  24          1HD1      LEU  24  -9.210  -3.926  -8.250
  138   2HD2  LEU  24          2HD1      LEU  24 -10.644  -3.628  -7.266
  139   3HD2  LEU  24          3HD1      LEU  24  -9.532  -4.929  -6.834
  140    H    GLU  25           H        GLU  25  -9.578  -0.568  -8.222
  141    HA   GLU  25           HA       GLU  25 -11.939  -1.793  -9.460
  142   1HB   GLU  25          1HB       GLU  25 -12.003   0.876  -9.102
  143   2HB   GLU  25          2HB       GLU  25 -11.125   0.819 -10.621
  144   1HG   GLU  25          2HG       GLU  25 -13.249  -0.931 -10.980
  145   2HG   GLU  25          1HG       GLU  25 -13.932   0.437 -10.102
  146    H    LYS  26           H        LYS  26  -9.294   0.288 -10.570
  147    HA   LYS  26           HA       LYS  26  -8.522  -1.828 -12.457
  148   1HB   LYS  26          2HB       LYS  26  -7.687   1.049 -12.719
  149   2HB   LYS  26          1HB       LYS  26  -7.747  -0.196 -13.960
  150   1HG   LYS  26          2HG       LYS  26 -10.209   0.901 -12.627
  151   2HG   LYS  26          1HG       LYS  26  -9.513   1.591 -14.097
  152   1HD   LYS  26          1HD       LYS  26  -9.677  -1.166 -14.558
  153   2HD   LYS  26          2HD       LYS  26 -11.199  -0.720 -13.784
  154   1HE   LYS  26          2HE       LYS  26 -11.694   0.875 -15.454
  155   2HE   LYS  26          1HE       LYS  26 -10.055   0.814 -16.102
  156   1HZ   LYS  26          1HZ       LYS  26 -11.847  -0.405 -17.369
  157   2HZ   LYS  26          2HZ       LYS  26 -11.845  -1.536 -16.119
  158   1HN   MLE  27          1HM       LEM  27  -6.804  -4.090 -10.454
  159   2HN   MLE  27          2HM       LEM  27  -7.526  -3.381 -11.898
  160   3HN   MLE  27          3HM       LEM  27  -8.307  -3.180 -10.331
  161    HA   MLE  27           HA       LEM  27  -4.999  -1.235  -9.788
  162   1HB   MLE  27          1HB       LEM  27  -5.370  -3.824  -8.520
  163   2HB   MLE  27          2HB       LEM  27  -6.754  -2.794  -8.334
  164    HG   MLE  27           HG       LEM  27  -4.705  -2.933  -6.627
  165   1HD1  MLE  27          1HD1      LEM  27  -3.126  -2.068  -8.316
  166   2HD1  MLE  27          2HD1      LEM  27  -3.213  -1.127  -6.831
  167   3HD1  MLE  27          3HD1      LEM  27  -4.009  -0.545  -8.288
  168   1HD2  MLE  27          1HD2      LEM  27  -6.827  -1.050  -7.179
  169   2HD2  MLE  27          2HD2      LEM  27  -5.459  -0.317  -6.339
  170   3HD2  MLE  27          3HD2      LEM  27  -6.256  -1.719  -5.646
  171    H    GLU  28           H        GLU  28  -3.654  -1.495 -11.575
  172    HA   GLU  28           HA       GLU  28  -3.032  -4.181 -12.503
  173   1HB   GLU  28          2HB       GLU  28  -3.245  -2.459 -14.191
  174   2HB   GLU  28          1HB       GLU  28  -2.051  -1.456 -13.379
  175   1HG   GLU  28          2HG       GLU  28  -0.558  -3.626 -13.779
  176   2HG   GLU  28          1HG       GLU  28  -1.700  -3.822 -15.110
  177    H    ILE  29           H        ILE  29  -1.751  -5.305 -11.192
  178    HA   ILE  29           HA       ILE  29   0.296  -3.971  -9.657
  179    HB   ILE  29           HB       ILE  29   0.580  -6.021  -8.470
  180   1HG1  ILE  29          1HG1      ILE  29  -1.033  -7.973  -9.321
  181   2HG1  ILE  29          2HG1      ILE  29  -0.729  -7.204 -10.876
  182   1HG2  ILE  29          1HG2      ILE  29  -2.120  -4.999  -8.996
  183   2HG2  ILE  29          2HG2      ILE  29  -1.266  -5.224  -7.470
  184   3HG2  ILE  29          3HG2      ILE  29  -2.058  -6.594  -8.246
  185   1HD1  ILE  29          1HD1      ILE  29   1.784  -7.378  -9.940
  186   2HD1  ILE  29          2HD1      ILE  29   1.007  -8.626 -10.917
  187   3HD1  ILE  29          3HD1      ILE  29   1.058  -8.784  -9.160
  188    H    ILE  30           H        ILE  30   2.435  -4.163  -9.826
  189    HA   ILE  30           HA       ILE  30   3.562  -5.897 -11.911
  190    HB   ILE  30           HB       ILE  30   5.082  -3.421 -11.532
  191   1HG1  ILE  30          1HG1      ILE  30   2.485  -3.221 -13.074
  192   2HG1  ILE  30          2HG1      ILE  30   2.686  -2.583 -11.448
  193   1HG2  ILE  30          1HG2      ILE  30   4.656  -5.447 -13.488
  194   2HG2  ILE  30          2HG2      ILE  30   5.903  -4.203 -13.437
  195   3HG2  ILE  30          3HG2      ILE  30   4.361  -3.874 -14.224
  196   1HD1  ILE  30          1HD1      ILE  30   3.377  -0.695 -12.363
  197   2HD1  ILE  30          2HD1      ILE  30   3.424  -1.427 -13.966
  198   3HD1  ILE  30          3HD1      ILE  30   4.824  -1.551 -12.899
  199    HA   PRO  31           HA       PRO  31   6.325  -6.872  -8.619
  200   1HB   PRO  31          2HB       PRO  31   8.385  -7.986  -9.945
  201   2HB   PRO  31          1HB       PRO  31   6.781  -8.722  -9.904
  202   1HG   PRO  31          2HG       PRO  31   8.154  -7.316 -12.108
  203   2HG   PRO  31          1HG       PRO  31   6.877  -8.540 -12.177
  204   1HD   PRO  31          1HD       PRO  31   6.609  -5.708 -12.424
  205   2HD   PRO  31          2HD       PRO  31   5.314  -6.926 -12.424
  206    H    ALA  32           H        ALA  32   6.870  -4.811  -7.776
  207    HA   ALA  32           HA       ALA  32   9.117  -3.360  -8.859
  208   1HB   ALA  32          1HB       ALA  32   8.625  -1.682  -7.347
  209   2HB   ALA  32          2HB       ALA  32   7.978  -2.798  -6.152
  210   3HB   ALA  32          3HB       ALA  32   7.039  -2.415  -7.592
  211    H    SER  33           H        SER  33  11.196  -3.612  -8.300
  212    HA   SER  33           HA       SER  33  11.988  -4.528  -5.707
  213   1HB   SER  33          2HB       SER  33  13.193  -6.551  -6.482
  214   2HB   SER  33          1HB       SER  33  11.447  -6.699  -6.686
  215    HG   SER  33           HG       SER  33  13.458  -6.480  -8.598
  216    H    GLN  34           H        GLN  34  13.202  -4.452  -9.058
  217    HA   GLN  34           HA       GLN  34  15.839  -3.906  -8.604
  218   1HB   GLN  34          2HB       GLN  34  15.883  -2.829 -10.810
  219   2HB   GLN  34          1HB       GLN  34  14.920  -4.301 -10.833
  220   1HG   GLN  34          2HG       GLN  34  12.994  -2.508 -10.311
  221   2HG   GLN  34          1HG       GLN  34  14.112  -1.498 -11.229
  222   1HE2  GLN  34          2HE2      GLN  34  12.741  -1.312 -12.978
  223   2HE2  GLN  34          1HE2      GLN  34  12.416  -2.625 -14.053
  224    H    PHE  35           H        PHE  35  13.139  -1.772  -8.171
  225    HA   PHE  35           HA       PHE  35  15.009   0.352  -7.354
  226   1HB   PHE  35          2HB       PHE  35  12.278   0.775  -8.586
  227   2HB   PHE  35          1HB       PHE  35  13.434   2.025  -8.134
  228    HD1  PHE  35           HD1      PHE  35  12.054   0.840 -10.880
  229    HD2  PHE  35           HD2      PHE  35  15.943   1.063  -9.167
  230    HE1  PHE  35           HE1      PHE  35  13.045   0.748 -13.130
  231    HE2  PHE  35           HE2      PHE  35  16.942   0.973 -11.414
  232    HZ   PHE  35           HZ       PHE  35  15.493   0.814 -13.399
  233    H    CYS  36           H        CYS  36  11.628  -0.735  -6.992
  234    HA   CYS  36           HA       CYS  36  11.841  -0.031  -4.145
  235   1HB   CYS  36          1HB       CYS  36  10.216   1.274  -5.894
  236   2HB   CYS  36          2HB       CYS  36   9.137   0.008  -5.320
  237    HA   PRO  37           HA       PRO  37  10.828  -4.446  -3.831
  238   1HB   PRO  37          1HB       PRO  37  11.124  -4.643  -1.178
  239   2HB   PRO  37          2HB       PRO  37  12.534  -4.411  -2.228
  240   1HG   PRO  37          2HG       PRO  37  10.905  -2.308  -0.811
  241   2HG   PRO  37          1HG       PRO  37  12.652  -2.609  -0.653
  242   1HD   PRO  37          2HD       PRO  37  11.784  -0.734  -2.304
  243   2HD   PRO  37          1HD       PRO  37  13.069  -1.839  -2.839
  244    H    ARG  38           H        ARG  38   8.588  -3.485  -4.447
  245    HA   ARG  38           HA       ARG  38   6.675  -4.287  -2.443
  246   1HB   ARG  38          2HB       ARG  38   6.944  -1.411  -3.315
  247   2HB   ARG  38          1HB       ARG  38   5.428  -2.047  -2.705
  248   1HG   ARG  38          2HG       ARG  38   8.034  -1.897  -1.219
  249   2HG   ARG  38          1HG       ARG  38   6.591  -0.922  -0.942
  250   1HD   ARG  38          2HD       ARG  38   5.469  -3.289  -0.644
  251   2HD   ARG  38          1HD       ARG  38   7.119  -3.766  -0.251
  252   1HH1  ARG  38          1HH2      ARG  38   8.710  -2.630   0.558
  253   2HH1  ARG  38          2HH2      ARG  38   9.279  -2.032   2.082
  254   1HH2  ARG  38          2HH1      ARG  38   6.086  -1.481   3.391
  255   2HH2  ARG  38          1HH1      ARG  38   7.789  -1.379   3.690
  256    H    VAL  39           H        VAL  39   4.355  -3.329  -3.552
  257    HA   VAL  39           HA       VAL  39   4.373  -4.688  -6.126
  258    HB   VAL  39           HB       VAL  39   1.799  -3.582  -5.085
  259   1HG1  VAL  39          1HG1      VAL  39   2.389  -6.351  -6.090
  260   2HG1  VAL  39          2HG1      VAL  39   2.237  -4.988  -7.201
  261   3HG1  VAL  39          3HG1      VAL  39   0.883  -5.435  -6.162
  262   1HG2  VAL  39          1HG2      VAL  39   1.474  -5.397  -3.523
  263   2HG2  VAL  39          2HG2      VAL  39   2.912  -4.496  -3.053
  264   3HG2  VAL  39          3HG2      VAL  39   3.077  -6.045  -3.874
  265    H    GLU  40           H        GLU  40   4.367  -3.624  -8.007
  266    HA   GLU  40           HA       GLU  40   4.226  -0.713  -7.954
  267   1HB   GLU  40          1HB       GLU  40   5.506  -2.671  -9.626
  268   2HB   GLU  40          2HB       GLU  40   4.447  -1.681 -10.619
  269   1HG   GLU  40          1HG       GLU  40   6.453  -0.506  -8.721
  270   2HG   GLU  40          2HG       GLU  40   6.837  -0.907 -10.394
  271    H    ILE  41           H        ILE  41   2.402   0.367  -8.471
  272    HA   ILE  41           HA       ILE  41   0.302  -1.162  -9.796
  273    HB   ILE  41           HB       ILE  41   0.613  -0.660  -6.978
  274   1HG1  ILE  41          2HG1      ILE  41  -1.546  -2.255  -7.209
  275   2HG1  ILE  41          1HG1      ILE  41  -0.839  -2.455  -8.806
  276   1HG2  ILE  41          1HG2      ILE  41  -0.875   1.210  -7.232
  277   2HG2  ILE  41          2HG2      ILE  41  -1.695  -0.103  -6.404
  278   3HG2  ILE  41          3HG2      ILE  41  -2.033   0.219  -8.107
  279   1HD1  ILE  41          1HD1      ILE  41   0.284  -4.096  -7.743
  280   2HD1  ILE  41          2HD1      ILE  41   0.155  -3.322  -6.170
  281   3HD1  ILE  41          3HD1      ILE  41   1.356  -2.763  -7.326
  282    H    ILE  42           H        ILE  42  -1.180  -0.146 -10.863
  283    HA   ILE  42           HA       ILE  42  -1.391   2.785 -10.690
  284    HB   ILE  42           HB       ILE  42  -2.036   1.061 -13.091
  285   1HG1  ILE  42          2HG1      ILE  42  -0.204   2.773 -14.017
  286   2HG1  ILE  42          1HG1      ILE  42   0.323   2.723 -12.337
  287   1HG2  ILE  42          1HG2      ILE  42  -2.486   3.202 -14.209
  288   2HG2  ILE  42          2HG2      ILE  42  -2.209   4.044 -12.684
  289   3HG2  ILE  42          3HG2      ILE  42  -3.568   2.930 -12.841
  290   1HD1  ILE  42          1HD1      ILE  42   0.472   0.663 -14.431
  291   2HD1  ILE  42          2HD1      ILE  42   0.082   0.099 -12.807
  292   3HD1  ILE  42          3HD1      ILE  42   1.564   1.010 -13.091
  293    H    ALA  43           H        ALA  43  -2.830   2.508  -8.975
  294    HA   ALA  43           HA       ALA  43  -5.091   0.728  -9.214
  295   1HB   ALA  43          1HB       ALA  43  -5.559   1.482  -6.921
  296   2HB   ALA  43          2HB       ALA  43  -4.274   2.676  -7.054
  297   3HB   ALA  43          3HB       ALA  43  -3.885   0.957  -7.111
  298    H    THR  44           H        THR  44  -7.059   1.244  -9.828
  299    HA   THR  44           HA       THR  44  -7.932   4.046  -9.647
  300    HB   THR  44           HB       THR  44  -8.964   1.902 -11.517
  301    HG1  THR  44           HG1      THR  44  -8.010   3.044 -13.094
  302   1HG2  THR  44          1HG2      THR  44 -10.441   3.976 -10.494
  303   2HG2  THR  44          2HG2      THR  44 -10.761   3.101 -11.991
  304   3HG2  THR  44          3HG2      THR  44  -9.845   4.607 -12.031
  305    H    MET  45           H        MET  45  -9.420   4.351  -8.094
  306    HA   MET  45           HA       MET  45 -10.164   2.052  -6.558
  307   1HB   MET  45          2HB       MET  45 -10.427   5.020  -6.173
  308   2HB   MET  45          1HB       MET  45 -11.167   3.888  -5.054
  309   1HG   MET  45          2HG       MET  45  -9.153   3.147  -4.249
  310   2HG   MET  45          1HG       MET  45  -8.281   3.597  -5.715
  311   1HE   MET  45          1HE       MET  45  -6.400   6.463  -4.488
  312   2HE   MET  45          2HE       MET  45  -7.141   6.108  -6.049
  313   3HE   MET  45          3HE       MET  45  -6.413   4.811  -5.104
  314    H    LYS  46           H        LYS  46 -11.960   0.941  -6.713
  315    HA   LYS  46           HA       LYS  46 -14.354   2.143  -7.877
  316   1HB   LYS  46          2HB       LYS  46 -13.493  -0.303  -8.363
  317   2HB   LYS  46          1HB       LYS  46 -14.288  -0.662  -6.840
  318   1HG   LYS  46          2HG       LYS  46 -15.753   0.803  -8.992
  319   2HG   LYS  46          1HG       LYS  46 -15.581  -0.954  -9.059
  320   1HD   LYS  46          2HD       LYS  46 -17.199  -1.218  -7.557
  321   2HD   LYS  46          1HD       LYS  46 -16.375  -0.149  -6.421
  322   1HE   LYS  46          1HE       LYS  46 -17.349   1.790  -7.643
  323   2HE   LYS  46          2HE       LYS  46 -18.276   0.651  -8.618
  324   1HZ   LYS  46          1HZ       LYS  46 -18.442   0.564  -5.684
  325   2HZ   LYS  46          2HZ       LYS  46 -19.559   0.028  -6.827
  326    H    LYS  47           H        LYS  47 -15.082   3.452  -6.418
  327    HA   LYS  47           HA       LYS  47 -16.521   2.796  -4.180
  328   1HB   LYS  47          2HB       LYS  47 -14.109   2.206  -3.375
  329   2HB   LYS  47          1HB       LYS  47 -13.910   3.943  -3.264
  330   1HG   LYS  47          2HG       LYS  47 -14.549   2.738  -1.152
  331   2HG   LYS  47          1HG       LYS  47 -15.535   4.132  -1.592
  332   1HD   LYS  47          2HD       LYS  47 -16.498   1.580  -2.669
  333   2HD   LYS  47          1HD       LYS  47 -16.499   1.668  -0.907
  334   1HE   LYS  47          2HE       LYS  47 -18.097   3.278  -0.847
  335   2HE   LYS  47          1HE       LYS  47 -17.572   4.009  -2.363
  336   1HZ   LYS  47          1HZ       LYS  47 -18.622   2.253  -3.578
  337   2HZ   LYS  47          2HZ       LYS  47 -19.026   1.434  -2.160
  338    H    LYS  48           H        LYS  48 -14.330   5.010  -5.722
  339    HA   LYS  48           HA       LYS  48 -16.305   7.115  -5.583
  340   1HB   LYS  48          1HB       LYS  48 -14.906   7.160  -3.472
  341   2HB   LYS  48          2HB       LYS  48 -13.541   7.610  -4.493
  342   1HG   LYS  48          1HG       LYS  48 -14.808   9.585  -5.264
  343   2HG   LYS  48          2HG       LYS  48 -16.092   9.166  -4.128
  344   1HD   LYS  48          1HD       LYS  48 -14.946   9.943  -2.358
  345   2HD   LYS  48          2HD       LYS  48 -13.415   9.283  -2.939
  346   1HE   LYS  48          1HE       LYS  48 -12.786  11.255  -3.755
  347   2HE   LYS  48          2HE       LYS  48 -14.313  11.451  -4.617
  348   1HZ   LYS  48          1HZ       LYS  48 -15.215  12.054  -2.304
  349   2HZ   LYS  48          2HZ       LYS  48 -13.601  12.317  -1.898
  350    H    GLY  49           H        GLY  49 -14.792   5.435  -7.574
  351   1HA   GLY  49          2HA       GLY  49 -13.656   5.664  -9.567
  352   2HA   GLY  49          1HA       GLY  49 -14.658   7.102  -9.709
  353    H    GLU  50           H        GLU  50 -11.671   6.024  -8.096
  354    HA   GLU  50           HA       GLU  50 -10.464   8.593  -8.889
  355   1HB   GLU  50          1HB       GLU  50 -10.880   8.364  -6.419
  356   2HB   GLU  50          2HB       GLU  50  -9.757   7.012  -6.413
  357   1HG   GLU  50          2HG       GLU  50  -7.928   8.345  -6.728
  358   2HG   GLU  50          1HG       GLU  50  -8.851   9.608  -7.542
  359    H    LYS  51           H        LYS  51  -8.154   8.535  -9.283
  360    HA   LYS  51           HA       LYS  51  -7.119   5.855  -9.929
  361   1HB   LYS  51          2HB       LYS  51  -6.145   6.695 -11.988
  362   2HB   LYS  51          1HB       LYS  51  -7.878   6.989 -11.996
  363   1HG   LYS  51          1HG       LYS  51  -7.118   9.324 -11.013
  364   2HG   LYS  51          2HG       LYS  51  -5.626   8.910 -11.861
  365   1HD   LYS  51          2HD       LYS  51  -7.077   8.443 -13.889
  366   2HD   LYS  51          1HD       LYS  51  -8.389   9.226 -13.007
  367   1HE   LYS  51          1HE       LYS  51  -5.760  10.613 -13.302
  368   2HE   LYS  51          2HE       LYS  51  -6.904  10.610 -14.644
  369   1HZ   LYS  51          1HZ       LYS  51  -7.191  12.555 -13.276
  370   2HZ   LYS  51          2HZ       LYS  51  -7.420  11.609 -11.901
  371    H    ARG  52           H        ARG  52  -5.116   5.465  -9.179
  372    HA   ARG  52           HA       ARG  52  -3.332   7.684  -8.564
  373   1HB   ARG  52          1HB       ARG  52  -4.948   7.133  -6.615
  374   2HB   ARG  52          2HB       ARG  52  -3.959   5.698  -6.402
  375   1HG   ARG  52          1HG       ARG  52  -2.378   6.845  -5.347
  376   2HG   ARG  52          2HG       ARG  52  -2.326   8.068  -6.618
  377   1HD   ARG  52          2HD       ARG  52  -4.411   7.971  -4.445
  378   2HD   ARG  52          1HD       ARG  52  -2.944   8.947  -4.365
  379   1HH1  ARG  52          1HH2      ARG  52  -3.973  10.319  -3.407
  380   2HH1  ARG  52          2HH2      ARG  52  -4.687  11.887  -3.584
  381   1HH2  ARG  52          1HH1      ARG  52  -5.488  11.459  -6.961
  382   2HH2  ARG  52          2HH1      ARG  52  -5.550  12.534  -5.604
  383    H    CYS  53           H        CYS  53  -1.180   7.001  -7.913
  384    HA   CYS  53           HA       CYS  53  -0.457   4.389  -9.065
  385   1HB   CYS  53          2HB       CYS  53   0.538   6.686  -9.885
  386   2HB   CYS  53          1HB       CYS  53   1.559   6.524  -8.460
  387    H    LEU  54           H        LEU  54  -0.797   3.109  -7.277
  388    HA   LEU  54           HA       LEU  54   0.361   3.841  -4.731
  389   1HB   LEU  54          2HB       LEU  54  -0.866   1.170  -5.144
  390   2HB   LEU  54          1HB       LEU  54  -0.982   2.257  -3.775
  391    HG   LEU  54           HG       LEU  54  -2.505   2.373  -6.363
  392   1HD1  LEU  54          1HD1      LEU  54  -4.223   2.716  -4.248
  393   2HD1  LEU  54          2HD1      LEU  54  -3.047   1.562  -3.620
  394   3HD1  LEU  54          3HD1      LEU  54  -3.931   1.203  -5.104
  395   1HD2  LEU  54          1HD2      LEU  54  -1.806   4.539  -4.498
  396   2HD2  LEU  54          2HD2      LEU  54  -3.505   4.434  -4.958
  397   3HD2  LEU  54          3HD2      LEU  54  -2.265   4.607  -6.200
  398    H    ASN  55           H        ASN  55   1.537   2.299  -3.444
  399    HA   ASN  55           HA       ASN  55   3.098   0.274  -4.760
  400   1HB   ASN  55          2HB       ASN  55   4.186   2.823  -4.707
  401   2HB   ASN  55          1HB       ASN  55   4.889   2.057  -3.285
  402   1HD2  ASN  55          2HD2      ASN  55   4.790   2.167  -6.718
  403   2HD2  ASN  55          1HD2      ASN  55   6.059   1.033  -7.008
  404    HA   PRO  56           HA       PRO  56   1.051  -0.777  -0.731
  405   1HB   PRO  56          1HB       PRO  56   2.732  -3.011  -1.846
  406   2HB   PRO  56          2HB       PRO  56   1.309  -3.149  -0.800
  407   1HG   PRO  56          1HG       PRO  56   0.996  -3.258  -3.438
  408   2HG   PRO  56          2HG       PRO  56  -0.134  -2.320  -2.451
  409   1HD   PRO  56          2HD       PRO  56   1.901  -1.355  -4.349
  410   2HD   PRO  56          1HD       PRO  56   0.500  -0.503  -3.670
  411    H    GLU  57           H        GLU  57   2.062   0.543   0.654
  412    HA   GLU  57           HA       GLU  57   4.252  -0.667   2.138
  413   1HB   GLU  57          2HB       GLU  57   5.173   1.686   2.534
  414   2HB   GLU  57          1HB       GLU  57   5.499   0.971   0.959
  415   1HG   GLU  57          1HG       GLU  57   4.638   2.769   0.012
  416   2HG   GLU  57          2HG       GLU  57   3.070   2.345   0.700
  417    H    SER  58           H        SER  58   1.795  -1.060   2.850
  418    HA   SER  58           HA       SER  58   1.350   0.474   5.239
  419   1HB   SER  58          2HB       SER  58  -0.132   1.047   2.769
  420   2HB   SER  58          1HB       SER  58  -1.182   0.675   4.133
  421    HG   SER  58           HG       SER  58   0.662   2.769   3.831
  422    H    LYS  59           H        LYS  59  -1.257  -0.244   5.804
  423    HA   LYS  59           HA       LYS  59  -0.978  -3.093   6.229
  424   1HB   LYS  59          1HB       LYS  59  -3.073  -1.161   7.178
  425   2HB   LYS  59          2HB       LYS  59  -2.972  -2.847   7.650
  426   1HG   LYS  59          2HG       LYS  59  -1.098  -2.511   8.947
  427   2HG   LYS  59          1HG       LYS  59  -0.633  -1.048   8.077
  428   1HD   LYS  59          2HD       LYS  59  -1.608   0.155   9.670
  429   2HD   LYS  59          1HD       LYS  59  -3.161  -0.530   9.186
  430   1HE   LYS  59          2HE       LYS  59  -1.281  -1.867  11.121
  431   2HE   LYS  59          1HE       LYS  59  -2.584  -0.787  11.618
  432   1HZ   LYS  59          1HZ       LYS  59  -3.006  -3.219   9.984
  433   2HZ   LYS  59          2HZ       LYS  59  -3.116  -3.205  11.665
  434    H    ALA  60           H        ALA  60  -4.007  -1.373   5.508
  435    HA   ALA  60           HA       ALA  60  -5.275  -3.456   4.204
  436   1HB   ALA  60          1HB       ALA  60  -6.631  -1.638   3.075
  437   2HB   ALA  60          2HB       ALA  60  -5.589  -0.482   3.904
  438   3HB   ALA  60          3HB       ALA  60  -6.585  -1.601   4.837
  439    H    ILE  61           H        ILE  61  -2.894  -1.229   3.051
  440    HA   ILE  61           HA       ILE  61  -3.145  -1.414   0.307
  441    HB   ILE  61           HB       ILE  61  -1.349  -0.321   2.102
  442   1HG1  ILE  61          1HG1      ILE  61  -1.895   0.931   0.238
  443   2HG1  ILE  61          2HG1      ILE  61  -0.212   0.529  -0.057
  444   1HG2  ILE  61          1HG2      ILE  61   0.131  -2.346   0.460
  445   2HG2  ILE  61          2HG2      ILE  61   0.133  -2.148   2.214
  446   3HG2  ILE  61          3HG2      ILE  61   0.885  -0.933   1.184
  447   1HD1  ILE  61          1HD1      ILE  61  -2.551  -0.096  -1.622
  448   2HD1  ILE  61          2HD1      ILE  61  -1.607  -1.538  -1.250
  449   3HD1  ILE  61          3HD1      ILE  61  -0.843  -0.169  -2.058
  450    H    LYS  62           H        LYS  62  -1.726  -3.676   2.622
  451    HA   LYS  62           HA       LYS  62  -0.544  -5.500   0.852
  452   1HB   LYS  62          2HB       LYS  62  -1.747  -5.754   3.594
  453   2HB   LYS  62          1HB       LYS  62  -1.223  -7.191   2.726
  454   1HG   LYS  62          1HG       LYS  62   0.853  -5.247   2.598
  455   2HG   LYS  62          2HG       LYS  62   0.326  -5.413   4.274
  456   1HD   LYS  62          1HD       LYS  62   1.152  -7.497   4.456
  457   2HD   LYS  62          2HD       LYS  62   0.625  -7.951   2.833
  458   1HE   LYS  62          1HE       LYS  62   3.022  -8.016   2.904
  459   2HE   LYS  62          2HE       LYS  62   2.525  -6.644   1.911
  460   1HZ   LYS  62          1HZ       LYS  62   4.169  -5.775   3.240
  461   2HZ   LYS  62          2HZ       LYS  62   3.707  -6.653   4.602
  462    H    ASN  63           H        ASN  63  -3.842  -4.902   1.778
  463    HA   ASN  63           HA       ASN  63  -4.983  -7.237   0.603
  464   1HB   ASN  63          1HB       ASN  63  -5.922  -5.202   2.220
  465   2HB   ASN  63          2HB       ASN  63  -6.702  -4.865   0.676
  466   1HD2  ASN  63          2HD2      ASN  63  -6.117  -7.442   3.017
  467   2HD2  ASN  63          1HD2      ASN  63  -7.604  -8.275   2.737
  468    H    LEU  64           H        LEU  64  -3.845  -4.198  -0.574
  469    HA   LEU  64           HA       LEU  64  -5.245  -3.837  -2.925
  470   1HB   LEU  64          2HB       LEU  64  -3.443  -2.291  -2.151
  471   2HB   LEU  64          1HB       LEU  64  -2.254  -3.493  -2.591
  472    HG   LEU  64           HG       LEU  64  -3.823  -3.079  -4.895
  473   1HD1  LEU  64          1HD1      LEU  64  -4.658  -1.028  -4.544
  474   2HD1  LEU  64          2HD1      LEU  64  -3.030  -0.516  -4.996
  475   3HD1  LEU  64          3HD1      LEU  64  -3.474  -0.636  -3.293
  476   1HD2  LEU  64          1HD2      LEU  64  -1.050  -3.039  -4.070
  477   2HD2  LEU  64          2HD2      LEU  64  -1.374  -1.707  -5.177
  478   3HD2  LEU  64          3HD2      LEU  64  -1.742  -3.361  -5.655
  479    H    LEU  65           H        LEU  65  -2.092  -5.399  -2.677
  480    HA   LEU  65           HA       LEU  65  -2.439  -6.623  -5.254
  481   1HB   LEU  65          2HB       LEU  65  -0.241  -5.940  -4.652
  482   2HB   LEU  65          1HB       LEU  65  -0.298  -6.830  -3.143
  483    HG   LEU  65           HG       LEU  65  -0.453  -8.939  -4.616
  484   1HD1  LEU  65          1HD2      LEU  65  -0.512  -7.001  -6.633
  485   2HD1  LEU  65          2HD2      LEU  65  -0.365  -8.748  -6.824
  486   3HD1  LEU  65          3HD2      LEU  65   1.083  -7.746  -6.729
  487   1HD2  LEU  65          1HD1      LEU  65   1.706  -7.445  -3.593
  488   2HD2  LEU  65          2HD1      LEU  65   2.202  -8.058  -5.170
  489   3HD2  LEU  65          3HD1      LEU  65   1.639  -9.175  -3.928
  490    H    LYS  66           H        LYS  66  -3.048  -7.631  -2.004
  491    HA   LYS  66           HA       LYS  66  -3.006 -10.452  -2.599
  492   1HB   LYS  66          1HB       LYS  66  -2.482  -9.562  -0.341
  493   2HB   LYS  66          2HB       LYS  66  -4.146  -9.007  -0.205
  494   1HG   LYS  66          1HG       LYS  66  -3.947 -11.829  -0.883
  495   2HG   LYS  66          2HG       LYS  66  -3.173 -11.425   0.651
  496   1HD   LYS  66          2HD       LYS  66  -5.226 -10.352   1.416
  497   2HD   LYS  66          1HD       LYS  66  -6.003 -10.722  -0.125
  498   1HE   LYS  66          1HE       LYS  66  -6.062 -13.010   0.312
  499   2HE   LYS  66          2HE       LYS  66  -4.823 -12.897   1.563
  500   1HZ   LYS  66          1HZ       LYS  66  -7.588 -11.845   1.762
  501   2HZ   LYS  66          2HZ       LYS  66  -6.404 -11.708   2.954
  502    H    ALA  67           H        ALA  67  -5.439  -7.956  -2.142
  503    HA   ALA  67           HA       ALA  67  -7.628  -9.777  -2.580
  504   1HB   ALA  67          1HB       ALA  67  -7.927  -6.808  -2.567
  505   2HB   ALA  67          2HB       ALA  67  -7.588  -7.673  -1.069
  506   3HB   ALA  67          3HB       ALA  67  -9.041  -8.048  -1.994
  507    H    VAL  68           H        VAL  68  -5.629  -7.727  -4.493
  508    HA   VAL  68           HA       VAL  68  -7.557  -7.648  -6.657
  509    HB   VAL  68           HB       VAL  68  -6.038  -5.706  -6.090
  510   1HG1  VAL  68          1HG2      VAL  68  -3.992  -7.485  -6.278
  511   2HG1  VAL  68          2HG2      VAL  68  -3.808  -5.737  -6.446
  512   3HG1  VAL  68          3HG2      VAL  68  -3.954  -6.754  -7.881
  513   1HG2  VAL  68          1HG1      VAL  68  -6.931  -6.771  -8.609
  514   2HG2  VAL  68          2HG1      VAL  68  -5.488  -5.782  -8.828
  515   3HG2  VAL  68          3HG1      VAL  68  -6.913  -5.102  -8.042
  516    H    SER  69           H        SER  69  -4.672  -9.358  -5.719
  517    HA   SER  69           HA       SER  69  -4.209 -10.515  -8.315
  518   1HB   SER  69          1HB       SER  69  -2.327 -10.154  -6.804
  519   2HB   SER  69          2HB       SER  69  -3.066 -11.204  -5.596
  520    HG   SER  69           HG       SER  69  -2.815 -12.939  -7.018
  521    H    LYS  70           H        LYS  70  -5.363 -11.753  -5.183
  522    HA   LYS  70           HA       LYS  70  -6.772 -13.465  -4.666
  523   1HB   LYS  70          1HB       LYS  70  -7.637 -12.584  -7.223
  524   2HB   LYS  70          2HB       LYS  70  -7.665 -14.340  -7.245
  525   1HG   LYS  70          1HG       LYS  70  -8.826 -13.088  -4.851
  526   2HG   LYS  70          2HG       LYS  70  -9.692 -12.809  -6.363
  527   1HD   LYS  70          2HD       LYS  70  -9.240 -15.442  -6.592
  528   2HD   LYS  70          1HD       LYS  70  -9.296 -15.309  -4.833
  529   1HE   LYS  70          2HE       LYS  70 -11.512 -15.272  -4.923
  530   2HE   LYS  70          1HE       LYS  70 -11.436 -13.776  -5.852
  531   1HZ   LYS  70          1HZ       LYS  70 -12.553 -15.984  -6.761
  532   2HZ   LYS  70          2HZ       LYS  70 -10.981 -16.254  -7.306
  Start of MODEL    5
    1    H    VAL   7           H        VAL   7  16.407   3.622  -2.106
    2    HA   VAL   7           HA       VAL   7  15.015   2.417  -4.214
    3    HB   VAL   7           HB       VAL   7  14.568   1.675  -1.990
    4   1HG1  VAL   7          1HG2      VAL   7  14.921   3.359  -0.497
    5   2HG1  VAL   7          2HG2      VAL   7  13.158   3.385  -0.536
    6   3HG1  VAL   7          3HG2      VAL   7  14.079   4.558  -1.478
    7   1HG2  VAL   7          1HG1      VAL   7  11.948   2.868  -2.210
    8   2HG2  VAL   7          2HG1      VAL   7  12.447   1.192  -2.436
    9   3HG2  VAL   7          3HG1      VAL   7  12.544   2.331  -3.780
   10    H    ARG   8           H        ARG   8  13.296   3.048  -5.480
   11    HA   ARG   8           HA       ARG   8  11.974   5.559  -5.106
   12   1HB   ARG   8          1HB       ARG   8  14.157   5.290  -7.117
   13   2HB   ARG   8          2HB       ARG   8  12.724   6.200  -7.577
   14   1HG   ARG   8          1HG       ARG   8  13.300   7.234  -5.112
   15   2HG   ARG   8          2HG       ARG   8  14.904   6.910  -5.774
   16   1HD   ARG   8          1HD       ARG   8  14.629   8.382  -7.521
   17   2HD   ARG   8          2HD       ARG   8  12.870   8.263  -7.485
   18   1HH1  ARG   8          1HH2      ARG   8  13.514  10.146  -8.503
   19   2HH1  ARG   8          2HH2      ARG   8  13.374  11.858  -8.275
   20   1HH2  ARG   8          1HH1      ARG   8  13.573  11.698  -4.786
   21   2HH2  ARG   8          2HH1      ARG   8  13.407  12.739  -6.160
   22    H    CYS   9           H        CYS   9   9.944   5.021  -5.554
   23    HA   CYS   9           HA       CYS   9   9.346   2.825  -7.314
   24   1HB   CYS   9          2HB       CYS   9   7.270   4.676  -6.184
   25   2HB   CYS   9          1HB       CYS   9   7.155   2.952  -6.527
   26    H    THR  10           H        THR  10   6.903   3.728  -8.404
   27    HA   THR  10           HA       THR  10   7.919   5.557 -10.473
   28    HB   THR  10           HB       THR  10   5.915   4.346 -11.749
   29    HG1  THR  10           HG1      THR  10   6.789   2.419  -9.865
   30   1HG2  THR  10          1HG2      THR  10   8.431   4.306 -12.242
   31   2HG2  THR  10          2HG2      THR  10   7.430   2.988 -12.850
   32   3HG2  THR  10          3HG2      THR  10   8.416   2.754 -11.406
   33    H    CYS  11           H        CYS  11   6.842   6.744  -8.249
   34    HA   CYS  11           HA       CYS  11   4.913   8.439  -9.334
   35   1HB   CYS  11          1HB       CYS  11   3.582   6.219  -8.904
   36   2HB   CYS  11          2HB       CYS  11   3.609   6.754  -7.226
   37    H    ILE  12           H        ILE  12   4.145  10.055  -7.818
   38    HA   ILE  12           HA       ILE  12   6.007  10.372  -5.580
   39    HB   ILE  12           HB       ILE  12   4.119  12.484  -6.588
   40   1HG1  ILE  12          1HG1      ILE  12   6.729  12.939  -7.604
   41   2HG1  ILE  12          2HG1      ILE  12   6.293  11.285  -8.026
   42   1HG2  ILE  12          1HG2      ILE  12   5.125  12.995  -4.484
   43   2HG2  ILE  12          2HG2      ILE  12   5.920  13.975  -5.715
   44   3HG2  ILE  12          3HG2      ILE  12   6.722  12.541  -5.075
   45   1HD1  ILE  12          1HD1      ILE  12   5.205  13.838  -8.991
   46   2HD1  ILE  12          2HD1      ILE  12   4.030  12.552  -8.714
   47   3HD1  ILE  12          3HD1      ILE  12   5.383  12.288  -9.814
   48    H    SER  13           H        SER  13   2.554  10.405  -6.334
   49    HA   SER  13           HA       SER  13   1.945  10.538  -3.466
   50   1HB   SER  13          2HB       SER  13   0.744  11.722  -5.748
   51   2HB   SER  13          1HB       SER  13  -0.417  10.567  -5.093
   52    HG   SER  13           HG       SER  13   0.022  12.958  -4.210
   53    H    ILE  14           H        ILE  14   1.816   8.613  -2.529
   54    HA   ILE  14           HA       ILE  14   0.753   6.339  -4.047
   55    HB   ILE  14           HB       ILE  14   1.599   5.026  -2.014
   56   1HG1  ILE  14          2HG1      ILE  14   3.201   7.562  -1.613
   57   2HG1  ILE  14          1HG1      ILE  14   1.856   7.074  -0.586
   58   1HG2  ILE  14          1HG2      ILE  14   4.021   5.274  -2.866
   59   2HG2  ILE  14          2HG2      ILE  14   3.327   6.393  -4.039
   60   3HG2  ILE  14          3HG2      ILE  14   2.780   4.718  -3.988
   61   1HD1  ILE  14          1HD1      ILE  14   4.275   5.353  -1.013
   62   2HD1  ILE  14          2HD1      ILE  14   3.031   5.203   0.228
   63   3HD1  ILE  14          3HD1      ILE  14   4.162   6.556   0.271
   64    H    SER  15           H        SER  15  -0.309   4.684  -2.333
   65    HA   SER  15           HA       SER  15  -2.628   6.124  -1.336
   66   1HB   SER  15          1HB       SER  15  -3.393   4.295  -2.509
   67   2HB   SER  15          2HB       SER  15  -2.042   3.275  -2.015
   68    HG   SER  15           HG       SER  15  -4.329   3.053  -1.040
   69    H    ASN  16           H        ASN  16  -1.668   3.138   0.236
   70    HA   ASN  16           HA       ASN  16  -1.536   2.693   2.485
   71   1HB   ASN  16          1HB       ASN  16   0.529   3.467   3.441
   72   2HB   ASN  16          2HB       ASN  16   0.795   3.191   1.723
   73   1HD2  ASN  16          1HD2      ASN  16   0.920   5.423   4.271
   74   2HD2  ASN  16          2HD2      ASN  16   1.383   6.811   3.351
   75    H    GLN  17           H        GLN  17  -3.487   4.751   1.858
   76    HA   GLN  17           HA       GLN  17  -3.471   6.202   4.418
   77   1HB   GLN  17          2HB       GLN  17  -3.956   8.203   3.427
   78   2HB   GLN  17          1HB       GLN  17  -3.049   7.469   2.121
   79   1HG   GLN  17          2HG       GLN  17  -5.295   6.682   1.214
   80   2HG   GLN  17          1HG       GLN  17  -6.011   7.834   2.341
   81   1HE2  GLN  17          2HE2      GLN  17  -4.509   7.399  -0.670
   82   2HE2  GLN  17          1HE2      GLN  17  -4.416   9.060  -1.134
   83    HA   PRO  18           HA       PRO  18  -7.620   5.225   5.548
   84   1HB   PRO  18          2HB       PRO  18  -8.624   7.666   4.125
   85   2HB   PRO  18          1HB       PRO  18  -9.072   7.031   5.716
   86   1HG   PRO  18          1HG       PRO  18  -7.360   9.056   5.512
   87   2HG   PRO  18          2HG       PRO  18  -7.113   7.775   6.711
   88   1HD   PRO  18          2HD       PRO  18  -5.660   8.313   4.187
   89   2HD   PRO  18          1HD       PRO  18  -5.085   7.538   5.673
   90    H    VAL  19           H        VAL  19  -7.132   6.159   2.192
   91    HA   VAL  19           HA       VAL  19  -9.429   4.532   1.395
   92    HB   VAL  19           HB       VAL  19  -8.632   5.364  -0.971
   93   1HG1  VAL  19          1HG2      VAL  19 -10.320   6.599   1.109
   94   2HG1  VAL  19          2HG2      VAL  19 -10.733   6.052  -0.518
   95   3HG1  VAL  19          3HG2      VAL  19  -9.931   7.606  -0.286
   96   1HG2  VAL  19          1HG1      VAL  19  -7.526   7.497   0.851
   97   2HG2  VAL  19          2HG1      VAL  19  -7.685   7.611  -0.902
   98   3HG2  VAL  19          3HG1      VAL  19  -6.586   6.428  -0.194
   99    H    ASN  20           H        ASN  20  -7.948   2.756   2.331
  100    HA   ASN  20           HA       ASN  20  -5.805   1.796   0.745
  101   1HB   ASN  20          2HB       ASN  20  -7.605   0.284   2.650
  102   2HB   ASN  20          1HB       ASN  20  -6.078  -0.292   2.022
  103   1HD2  ASN  20          1HD2      ASN  20  -4.272   1.439   2.317
  104   2HD2  ASN  20          2HD2      ASN  20  -4.145   2.068   3.922
  105    HA   PRO  21           HA       PRO  21  -7.276  -0.270  -2.762
  106   1HB   PRO  21          1HB       PRO  21  -6.838  -2.885  -1.401
  107   2HB   PRO  21          2HB       PRO  21  -6.399  -2.365  -3.042
  108   1HG   PRO  21          2HG       PRO  21  -4.623  -2.386  -1.006
  109   2HG   PRO  21          1HG       PRO  21  -4.564  -1.201  -2.311
  110   1HD   PRO  21          2HD       PRO  21  -5.231  -0.830   0.498
  111   2HD   PRO  21          1HD       PRO  21  -4.786   0.372  -0.720
  112    H    ARG  22           H        ARG  22  -8.889  -1.060   0.264
  113    HA   ARG  22           HA       ARG  22 -10.975  -2.692  -0.391
  114   1HB   ARG  22          1HB       ARG  22 -10.522  -0.830   1.604
  115   2HB   ARG  22          2HB       ARG  22 -11.943  -0.190   0.794
  116   1HG   ARG  22          2HG       ARG  22 -12.494  -2.889   1.076
  117   2HG   ARG  22          1HG       ARG  22 -11.691  -2.445   2.584
  118   1HD   ARG  22          2HD       ARG  22 -13.282  -0.453   2.646
  119   2HD   ARG  22          1HD       ARG  22 -14.189  -1.286   1.384
  120   1HH1  ARG  22          2HH2      ARG  22 -15.493  -0.111   2.855
  121   2HH1  ARG  22          1HH2      ARG  22 -16.749  -0.441   4.001
  122   1HH2  ARG  22          1HH1      ARG  22 -15.434  -3.526   4.991
  123   2HH2  ARG  22          2HH1      ARG  22 -16.716  -2.382   5.216
  124    H    SER  23           H        SER  23 -10.326   0.539  -1.424
  125    HA   SER  23           HA       SER  23 -12.479   0.503  -3.406
  126   1HB   SER  23          2HB       SER  23 -10.428   2.679  -2.893
  127   2HB   SER  23          1HB       SER  23 -11.922   2.813  -3.813
  128    HG   SER  23           HG       SER  23 -12.270   3.695  -1.802
  129    H    LEU  24           H        LEU  24 -11.777  -0.947  -4.941
  130    HA   LEU  24           HA       LEU  24  -9.144  -0.448  -6.191
  131   1HB   LEU  24          2HB       LEU  24  -8.553  -2.236  -4.731
  132   2HB   LEU  24          1HB       LEU  24 -10.015  -3.123  -5.103
  133    HG   LEU  24           HG       LEU  24  -8.535  -2.712  -7.517
  134   1HD1  LEU  24          1HD2      LEU  24  -6.841  -4.479  -5.993
  135   2HD1  LEU  24          2HD2      LEU  24  -6.825  -2.852  -5.316
  136   3HD1  LEU  24          3HD2      LEU  24  -6.410  -3.104  -7.010
  137   1HD2  LEU  24          1HD1      LEU  24  -8.924  -4.962  -7.817
  138   2HD2  LEU  24          2HD1      LEU  24 -10.231  -4.513  -6.719
  139   3HD2  LEU  24          3HD1      LEU  24  -8.792  -5.323  -6.096
  140    H    GLU  25           H        GLU  25  -9.132  -0.764  -8.408
  141    HA   GLU  25           HA       GLU  25 -11.459  -2.087  -9.605
  142   1HB   GLU  25          1HB       GLU  25 -11.739   0.550  -9.259
  143   2HB   GLU  25          2HB       GLU  25 -10.873   0.581 -10.780
  144   1HG   GLU  25          2HG       GLU  25 -13.275  -1.156 -10.435
  145   2HG   GLU  25          1HG       GLU  25 -13.440   0.561 -10.804
  146    H    LYS  26           H        LYS  26  -9.067   0.179 -10.931
  147    HA   LYS  26           HA       LYS  26  -8.302  -1.916 -12.836
  148   1HB   LYS  26          2HB       LYS  26  -7.527   0.945 -13.225
  149   2HB   LYS  26          1HB       LYS  26  -7.841  -0.295 -14.428
  150   1HG   LYS  26          2HG       LYS  26 -10.215   0.405 -12.878
  151   2HG   LYS  26          1HG       LYS  26  -9.522   1.765 -13.760
  152   1HD   LYS  26          2HD       LYS  26  -9.614  -0.667 -15.351
  153   2HD   LYS  26          1HD       LYS  26 -11.209  -0.159 -14.794
  154   1HE   LYS  26          2HE       LYS  26 -10.563   2.168 -15.626
  155   2HE   LYS  26          1HE       LYS  26  -9.234   1.368 -16.465
  156   1HZ   LYS  26          1HZ       LYS  26 -10.601   0.508 -17.983
  157   2HZ   LYS  26          2HZ       LYS  26 -11.653   1.737 -17.509
  158   1HN   MLE  27          1HM       LEM  27  -6.334  -4.097 -10.968
  159   2HN   MLE  27          2HM       LEM  27  -7.356  -3.448 -12.246
  160   3HN   MLE  27          3HM       LEM  27  -7.810  -3.229 -10.558
  161    HA   MLE  27           HA       LEM  27  -4.591  -1.153 -10.617
  162   1HB   MLE  27          1HB       LEM  27  -4.615  -3.255  -8.774
  163   2HB   MLE  27          2HB       LEM  27  -6.285  -2.764  -8.930
  164    HG   MLE  27           HG       LEM  27  -4.292  -0.632  -8.580
  165   1HD1  MLE  27          1HD1      LEM  27  -7.121  -1.017  -8.350
  166   2HD1  MLE  27          2HD1      LEM  27  -6.199   0.484  -8.327
  167   3HD1  MLE  27          3HD1      LEM  27  -6.468  -0.404  -6.831
  168   1HD2  MLE  27          1HD2      LEM  27  -3.927  -2.692  -6.959
  169   2HD2  MLE  27          2HD2      LEM  27  -5.205  -1.846  -6.082
  170   3HD2  MLE  27          3HD2      LEM  27  -3.709  -1.010  -6.490
  171    H    GLU  28           H        GLU  28  -3.100  -1.669 -12.093
  172    HA   GLU  28           HA       GLU  28  -2.564  -4.459 -12.732
  173   1HB   GLU  28          2HB       GLU  28  -2.548  -2.946 -14.606
  174   2HB   GLU  28          1HB       GLU  28  -1.415  -1.877 -13.792
  175   1HG   GLU  28          2HG       GLU  28  -0.165  -4.368 -13.853
  176   2HG   GLU  28          1HG       GLU  28  -0.910  -4.176 -15.441
  177    H    ILE  29           H        ILE  29  -1.532  -5.419 -11.047
  178    HA   ILE  29           HA       ILE  29   0.519  -3.979  -9.608
  179    HB   ILE  29           HB       ILE  29   0.652  -5.922  -8.142
  180   1HG1  ILE  29          2HG1      ILE  29  -1.323  -7.627  -8.593
  181   2HG1  ILE  29          1HG1      ILE  29  -1.076  -7.122 -10.263
  182   1HG2  ILE  29          1HG2      ILE  29  -1.809  -5.877  -7.407
  183   2HG2  ILE  29          2HG2      ILE  29  -2.027  -4.725  -8.725
  184   3HG2  ILE  29          3HG2      ILE  29  -0.905  -4.363  -7.415
  185   1HD1  ILE  29          1HD1      ILE  29   0.554  -8.602 -10.408
  186   2HD1  ILE  29          2HD1      ILE  29   0.427  -8.971  -8.687
  187   3HD1  ILE  29          3HD1      ILE  29   1.475  -7.659  -9.236
  188    H    ILE  30           H        ILE  30   2.628  -4.421  -9.488
  189    HA   ILE  30           HA       ILE  30   3.742  -6.607 -11.080
  190    HB   ILE  30           HB       ILE  30   5.407  -4.220 -11.268
  191   1HG1  ILE  30          1HG1      ILE  30   2.901  -4.161 -12.950
  192   2HG1  ILE  30          2HG1      ILE  30   3.020  -3.263 -11.443
  193   1HG2  ILE  30          1HG2      ILE  30   4.855  -6.612 -12.691
  194   2HG2  ILE  30          2HG2      ILE  30   6.168  -5.460 -12.938
  195   3HG2  ILE  30          3HG2      ILE  30   4.638  -5.252 -13.794
  196   1HD1  ILE  30          1HD1      ILE  30   3.587  -1.688 -13.019
  197   2HD1  ILE  30          2HD1      ILE  30   4.481  -2.845 -14.005
  198   3HD1  ILE  30          3HD1      ILE  30   5.164  -2.270 -12.485
  199    HA   PRO  31           HA       PRO  31   6.417  -6.812  -7.550
  200   1HB   PRO  31          1HB       PRO  31   8.329  -8.430  -8.472
  201   2HB   PRO  31          2HB       PRO  31   6.653  -8.979  -8.351
  202   1HG   PRO  31          2HG       PRO  31   8.227  -8.204 -10.748
  203   2HG   PRO  31          1HG       PRO  31   6.908  -9.374 -10.599
  204   1HD   PRO  31          1HD       PRO  31   6.739  -6.683 -11.514
  205   2HD   PRO  31          2HD       PRO  31   5.399  -7.811 -11.239
  206    H    ALA  32           H        ALA  32   7.337  -4.837  -7.053
  207    HA   ALA  32           HA       ALA  32   9.597  -3.885  -8.628
  208   1HB   ALA  32          1HB       ALA  32   9.500  -1.918  -7.080
  209   2HB   ALA  32          2HB       ALA  32   8.079  -2.657  -6.340
  210   3HB   ALA  32          3HB       ALA  32   8.042  -2.184  -8.039
  211    H    SER  33           H        SER  33  11.676  -3.660  -7.839
  212    HA   SER  33           HA       SER  33  12.354  -4.339  -5.133
  213   1HB   SER  33          2HB       SER  33  12.002  -6.560  -6.446
  214   2HB   SER  33          1HB       SER  33  13.545  -6.160  -7.203
  215    HG   SER  33           HG       SER  33  13.822  -7.457  -5.342
  216    H    GLN  34           H        GLN  34  13.857  -4.408  -8.364
  217    HA   GLN  34           HA       GLN  34  16.356  -3.497  -7.624
  218   1HB   GLN  34          1HB       GLN  34  16.531  -2.669 -10.005
  219   2HB   GLN  34          2HB       GLN  34  16.065  -4.355  -9.822
  220   1HG   GLN  34          1HG       GLN  34  13.765  -3.821 -10.273
  221   2HG   GLN  34          2HG       GLN  34  14.135  -2.099 -10.309
  222   1HE2  GLN  34          1HE2      GLN  34  14.632  -5.160 -11.944
  223   2HE2  GLN  34          2HE2      GLN  34  14.996  -4.489 -13.494
  224    H    PHE  35           H        PHE  35  13.399  -1.741  -7.833
  225    HA   PHE  35           HA       PHE  35  14.886   0.758  -7.374
  226   1HB   PHE  35          1HB       PHE  35  13.005   0.178  -9.400
  227   2HB   PHE  35          2HB       PHE  35  12.205   1.267  -8.273
  228    HD1  PHE  35           HD1      PHE  35  14.416   2.947  -7.370
  229    HD2  PHE  35           HD2      PHE  35  13.503   1.474 -11.257
  230    HE1  PHE  35           HE1      PHE  35  15.595   4.860  -8.366
  231    HE2  PHE  35           HE2      PHE  35  14.682   3.386 -12.262
  232    HZ   PHE  35           HZ       PHE  35  15.732   5.083 -10.816
  233    H    CYS  36           H        CYS  36  11.654  -0.673  -6.860
  234    HA   CYS  36           HA       CYS  36  11.726   0.397  -4.124
  235   1HB   CYS  36          1HB       CYS  36  10.086   1.368  -6.198
  236   2HB   CYS  36          2HB       CYS  36   9.036   0.407  -5.164
  237    HA   PRO  37           HA       PRO  37  10.917  -4.133  -3.867
  238   1HB   PRO  37          2HB       PRO  37  11.563  -3.354  -1.057
  239   2HB   PRO  37          1HB       PRO  37  12.096  -4.762  -1.987
  240   1HG   PRO  37          1HG       PRO  37  13.764  -2.750  -1.629
  241   2HG   PRO  37          2HG       PRO  37  13.633  -3.507  -3.230
  242   1HD   PRO  37          1HD       PRO  37  12.480  -0.916  -2.265
  243   2HD   PRO  37          2HD       PRO  37  13.243  -1.302  -3.822
  244    H    ARG  38           H        ARG  38   8.691  -3.338  -4.324
  245    HA   ARG  38           HA       ARG  38   6.910  -4.070  -2.194
  246   1HB   ARG  38          2HB       ARG  38   6.618  -1.294  -3.383
  247   2HB   ARG  38          1HB       ARG  38   5.564  -2.036  -2.193
  248   1HG   ARG  38          2HG       ARG  38   8.448  -1.432  -1.634
  249   2HG   ARG  38          1HG       ARG  38   7.142  -0.294  -1.336
  250   1HD   ARG  38          1HD       ARG  38   6.043  -2.077   0.055
  251   2HD   ARG  38          2HD       ARG  38   7.539  -2.996  -0.073
  252   1HH1  ARG  38          1HH1      ARG  38   9.544  -2.273  -0.269
  253   2HH1  ARG  38          2HH1      ARG  38  10.832  -1.649   0.707
  254   1HH2  ARG  38          1HH2      ARG  38   8.720   0.030   2.932
  255   2HH2  ARG  38          2HH2      ARG  38  10.363  -0.342   2.527
  256    H    VAL  39           H        VAL  39   4.574  -2.906  -3.537
  257    HA   VAL  39           HA       VAL  39   4.643  -4.542  -5.967
  258    HB   VAL  39           HB       VAL  39   2.091  -3.428  -4.854
  259   1HG1  VAL  39          1HG2      VAL  39   2.550  -4.721  -7.129
  260   2HG1  VAL  39          2HG2      VAL  39   1.066  -4.943  -6.202
  261   3HG1  VAL  39          3HG2      VAL  39   2.375  -6.119  -6.068
  262   1HG2  VAL  39          1HG1      VAL  39   1.817  -5.242  -3.370
  263   2HG2  VAL  39          2HG1      VAL  39   3.450  -4.652  -3.061
  264   3HG2  VAL  39          3HG1      VAL  39   3.205  -6.101  -4.033
  265    H    GLU  40           H        GLU  40   4.599  -3.615  -7.912
  266    HA   GLU  40           HA       GLU  40   4.352  -0.720  -8.097
  267   1HB   GLU  40          1HB       GLU  40   5.584  -2.830  -9.691
  268   2HB   GLU  40          2HB       GLU  40   4.556  -1.800 -10.680
  269   1HG   GLU  40          1HG       GLU  40   5.916   0.042  -9.235
  270   2HG   GLU  40          2HG       GLU  40   7.123  -1.224  -9.437
  271    H    ILE  41           H        ILE  41   2.393   0.177  -8.449
  272    HA   ILE  41           HA       ILE  41   0.414  -1.441  -9.881
  273    HB   ILE  41           HB       ILE  41   0.270  -1.899  -7.468
  274   1HG1  ILE  41          2HG1      ILE  41  -2.089  -1.696  -7.277
  275   2HG1  ILE  41          1HG1      ILE  41  -2.133  -0.335  -8.392
  276   1HG2  ILE  41          1HG2      ILE  41   0.673   0.826  -7.211
  277   2HG2  ILE  41          2HG2      ILE  41   0.353  -0.328  -5.922
  278   3HG2  ILE  41          3HG2      ILE  41  -0.979   0.554  -6.669
  279   1HD1  ILE  41          1HD1      ILE  41  -1.054  -2.909  -9.366
  280   2HD1  ILE  41          2HD1      ILE  41  -1.964  -1.666 -10.224
  281   3HD1  ILE  41          3HD1      ILE  41  -2.790  -2.771  -9.127
  282    H    ILE  42           H        ILE  42  -0.566  -0.314 -11.369
  283    HA   ILE  42           HA       ILE  42  -0.925   2.578 -11.025
  284    HB   ILE  42           HB       ILE  42  -1.924   1.032 -13.394
  285   1HG1  ILE  42          1HG1      ILE  42   0.771   2.378 -13.366
  286   2HG1  ILE  42          2HG1      ILE  42   0.610   0.692 -12.886
  287   1HG2  ILE  42          1HG2      ILE  42  -1.048   3.531 -14.159
  288   2HG2  ILE  42          2HG2      ILE  42  -1.677   3.806 -12.529
  289   3HG2  ILE  42          3HG2      ILE  42  -2.712   3.094 -13.772
  290   1HD1  ILE  42          1HD1      ILE  42  -0.763   1.082 -15.349
  291   2HD1  ILE  42          2HD1      ILE  42   0.634   0.064 -14.998
  292   3HD1  ILE  42          3HD1      ILE  42   0.865   1.747 -15.476
  293    H    ALA  43           H        ALA  43  -2.392   2.561  -9.384
  294    HA   ALA  43           HA       ALA  43  -4.652   0.794  -9.577
  295   1HB   ALA  43          1HB       ALA  43  -5.032   1.529  -7.203
  296   2HB   ALA  43          2HB       ALA  43  -3.578   2.512  -7.361
  297   3HB   ALA  43          3HB       ALA  43  -3.476   0.760  -7.512
  298    H    THR  44           H        THR  44  -6.579   1.229 -10.062
  299    HA   THR  44           HA       THR  44  -7.569   3.977  -9.771
  300    HB   THR  44           HB       THR  44  -8.517   1.868 -11.734
  301    HG1  THR  44           HG1      THR  44  -7.365   2.886 -13.168
  302   1HG2  THR  44          1HG2      THR  44 -10.186   3.255 -12.470
  303   2HG2  THR  44          2HG2      THR  44  -9.436   4.698 -11.787
  304   3HG2  THR  44          3HG2      THR  44 -10.235   3.535 -10.729
  305    H    MET  45           H        MET  45  -9.087   4.137  -8.204
  306    HA   MET  45           HA       MET  45  -9.780   1.711  -6.830
  307   1HB   MET  45          2HB       MET  45 -10.661   4.500  -6.109
  308   2HB   MET  45          1HB       MET  45 -10.522   3.107  -5.058
  309   1HG   MET  45          1HG       MET  45  -8.356   4.806  -6.190
  310   2HG   MET  45          2HG       MET  45  -8.719   4.431  -4.506
  311   1HE   MET  45          1HE       MET  45  -5.846   2.242  -3.893
  312   2HE   MET  45          2HE       MET  45  -7.080   3.362  -3.313
  313   3HE   MET  45          3HE       MET  45  -5.823   3.928  -4.412
  314    H    LYS  46           H        LYS  46 -11.615   0.656  -6.787
  315    HA   LYS  46           HA       LYS  46 -13.974   1.802  -8.084
  316   1HB   LYS  46          1HB       LYS  46 -13.114  -0.656  -8.503
  317   2HB   LYS  46          2HB       LYS  46 -13.927  -0.982  -6.984
  318   1HG   LYS  46          2HG       LYS  46 -15.414   0.484  -9.098
  319   2HG   LYS  46          1HG       LYS  46 -15.154  -1.251  -9.295
  320   1HD   LYS  46          2HD       LYS  46 -16.624  -1.773  -7.684
  321   2HD   LYS  46          1HD       LYS  46 -16.057  -0.485  -6.620
  322   1HE   LYS  46          2HE       LYS  46 -18.405  -0.185  -7.313
  323   2HE   LYS  46          1HE       LYS  46 -17.367   1.146  -7.822
  324   1HZ   LYS  46          1HZ       LYS  46 -18.320   0.810  -9.790
  325   2HZ   LYS  46          2HZ       LYS  46 -18.849  -0.743  -9.405
  326    H    LYS  47           H        LYS  47 -14.746   3.140  -6.654
  327    HA   LYS  47           HA       LYS  47 -16.185   2.469  -4.415
  328   1HB   LYS  47          2HB       LYS  47 -13.782   1.959  -3.567
  329   2HB   LYS  47          1HB       LYS  47 -13.587   3.702  -3.527
  330   1HG   LYS  47          2HG       LYS  47 -14.249   2.504  -1.374
  331   2HG   LYS  47          1HG       LYS  47 -15.146   3.956  -1.822
  332   1HD   LYS  47          2HD       LYS  47 -17.056   2.776  -2.329
  333   2HD   LYS  47          1HD       LYS  47 -16.170   1.297  -2.702
  334   1HE   LYS  47          2HE       LYS  47 -15.624   1.745  -0.026
  335   2HE   LYS  47          1HE       LYS  47 -17.322   2.193  -0.192
  336   1HZ   LYS  47          1HZ       LYS  47 -16.149  -0.379  -0.163
  337   2HZ   LYS  47          2HZ       LYS  47 -17.777   0.052  -0.087
  338    H    LYS  48           H        LYS  48 -14.076   4.756  -5.977
  339    HA   LYS  48           HA       LYS  48 -16.114   6.790  -5.915
  340   1HB   LYS  48          1HB       LYS  48 -14.896   6.891  -3.702
  341   2HB   LYS  48          2HB       LYS  48 -13.460   7.365  -4.603
  342   1HG   LYS  48          2HG       LYS  48 -14.493   9.335  -3.737
  343   2HG   LYS  48          1HG       LYS  48 -14.710   9.310  -5.487
  344   1HD   LYS  48          2HD       LYS  48 -16.950   9.128  -5.333
  345   2HD   LYS  48          1HD       LYS  48 -16.865   8.033  -3.951
  346   1HE   LYS  48          2HE       LYS  48 -15.946  10.647  -3.201
  347   2HE   LYS  48          1HE       LYS  48 -17.539  10.760  -3.948
  348   1HZ   LYS  48          1HZ       LYS  48 -18.446   9.310  -2.371
  349   2HZ   LYS  48          2HZ       LYS  48 -16.937   8.808  -1.814
  350    H    GLY  49           H        GLY  49 -14.456   5.210  -7.830
  351   1HA   GLY  49          1HA       GLY  49 -13.194   5.505  -9.737
  352   2HA   GLY  49          2HA       GLY  49 -14.165   6.961  -9.893
  353    H    GLU  50           H        GLU  50 -11.318   5.790  -8.095
  354    HA   GLU  50           HA       GLU  50 -10.097   8.441  -8.547
  355   1HB   GLU  50          1HB       GLU  50 -10.606   7.536  -6.144
  356   2HB   GLU  50          2HB       GLU  50  -9.164   6.564  -6.403
  357   1HG   GLU  50          2HG       GLU  50  -8.414   8.462  -5.278
  358   2HG   GLU  50          1HG       GLU  50  -7.986   8.744  -6.964
  359    H    LYS  51           H        LYS  51  -7.766   8.491  -8.876
  360    HA   LYS  51           HA       LYS  51  -6.675   5.991  -9.992
  361   1HB   LYS  51          1HB       LYS  51  -5.470   7.566 -11.648
  362   2HB   LYS  51          2HB       LYS  51  -7.162   7.188 -11.939
  363   1HG   LYS  51          1HG       LYS  51  -7.876   9.298 -11.358
  364   2HG   LYS  51          2HG       LYS  51  -6.447   9.623 -10.376
  365   1HD   LYS  51          2HD       LYS  51  -5.397   9.237 -12.891
  366   2HD   LYS  51          1HD       LYS  51  -6.908  10.089 -13.214
  367   1HE   LYS  51          2HE       LYS  51  -6.230  11.985 -12.152
  368   2HE   LYS  51          1HE       LYS  51  -5.211  11.112 -11.009
  369   1HZ   LYS  51          1HZ       LYS  51  -4.350  10.981 -13.762
  370   2HZ   LYS  51          2HZ       LYS  51  -3.450  11.223 -12.357
  371    H    ARG  52           H        ARG  52  -4.837   5.419  -9.051
  372    HA   ARG  52           HA       ARG  52  -2.903   7.410  -8.207
  373   1HB   ARG  52          1HB       ARG  52  -4.707   6.758  -6.366
  374   2HB   ARG  52          2HB       ARG  52  -3.639   5.377  -6.153
  375   1HG   ARG  52          1HG       ARG  52  -2.398   6.629  -4.815
  376   2HG   ARG  52          2HG       ARG  52  -1.957   7.606  -6.217
  377   1HD   ARG  52          2HD       ARG  52  -2.912   8.850  -4.225
  378   2HD   ARG  52          1HD       ARG  52  -3.658   9.175  -5.789
  379   1HH1  ARG  52          2HH1      ARG  52  -4.272  10.394  -3.756
  380   2HH1  ARG  52          1HH1      ARG  52  -5.723  10.664  -2.852
  381   1HH2  ARG  52          2HH2      ARG  52  -7.059   7.498  -3.501
  382   2HH2  ARG  52          1HH2      ARG  52  -7.310   9.016  -2.707
  383    H    CYS  53           H        CYS  53  -0.863   6.477  -7.516
  384    HA   CYS  53           HA       CYS  53  -0.369   3.777  -8.622
  385   1HB   CYS  53          1HB       CYS  53   2.049   5.288  -8.280
  386   2HB   CYS  53          2HB       CYS  53   1.415   4.534  -9.731
  387    H    LEU  54           H        LEU  54  -0.558   2.552  -6.818
  388    HA   LEU  54           HA       LEU  54   0.502   3.491  -4.300
  389   1HB   LEU  54          2HB       LEU  54  -0.673   0.773  -4.610
  390   2HB   LEU  54          1HB       LEU  54  -0.802   1.901  -3.277
  391    HG   LEU  54           HG       LEU  54  -2.338   1.885  -5.863
  392   1HD1  LEU  54          1HD2      LEU  54  -3.895   0.987  -4.568
  393   2HD1  LEU  54          2HD2      LEU  54  -3.909   2.456  -3.593
  394   3HD1  LEU  54          3HD2      LEU  54  -2.842   1.120  -3.160
  395   1HD2  LEU  54          1HD1      LEU  54  -1.705   4.187  -4.090
  396   2HD2  LEU  54          2HD1      LEU  54  -3.333   4.059  -4.757
  397   3HD2  LEU  54          3HD1      LEU  54  -1.941   4.135  -5.836
  398    H    ASN  55           H        ASN  55   1.664   2.006  -2.862
  399    HA   ASN  55           HA       ASN  55   3.470   0.141  -4.162
  400   1HB   ASN  55          2HB       ASN  55   5.469   1.153  -3.118
  401   2HB   ASN  55          1HB       ASN  55   4.717   2.246  -4.276
  402   1HD2  ASN  55          2HD2      ASN  55   6.471   2.767  -1.979
  403   2HD2  ASN  55          1HD2      ASN  55   5.612   3.886  -0.982
  404    HA   PRO  56           HA       PRO  56   1.123  -1.307  -0.396
  405   1HB   PRO  56          1HB       PRO  56   2.659  -3.552  -1.686
  406   2HB   PRO  56          2HB       PRO  56   1.161  -3.653  -0.750
  407   1HG   PRO  56          1HG       PRO  56   0.992  -3.500  -3.380
  408   2HG   PRO  56          2HG       PRO  56  -0.077  -2.503  -2.383
  409   1HD   PRO  56          2HD       PRO  56   2.259  -1.677  -4.018
  410   2HD   PRO  56          1HD       PRO  56   0.842  -0.735  -3.510
  411    H    GLU  57           H        GLU  57   2.310  -0.152   1.085
  412    HA   GLU  57           HA       GLU  57   4.366  -1.729   2.429
  413   1HB   GLU  57          2HB       GLU  57   5.461   0.505   3.068
  414   2HB   GLU  57          1HB       GLU  57   5.747  -0.089   1.437
  415   1HG   GLU  57          1HG       GLU  57   5.167   1.960   0.793
  416   2HG   GLU  57          2HG       GLU  57   3.511   1.424   1.088
  417    H    SER  58           H        SER  58   1.903  -2.003   3.166
  418    HA   SER  58           HA       SER  58   1.629  -0.695   5.707
  419   1HB   SER  58          2HB       SER  58   0.201   0.301   3.363
  420   2HB   SER  58          1HB       SER  58  -0.905  -0.201   4.639
  421    HG   SER  58           HG       SER  58  -0.293   1.438   5.808
  422    H    LYS  59           H        LYS  59  -1.024  -1.238   6.249
  423    HA   LYS  59           HA       LYS  59  -1.008  -4.134   6.348
  424   1HB   LYS  59          2HB       LYS  59  -1.524  -2.949   8.388
  425   2HB   LYS  59          1HB       LYS  59  -2.845  -2.109   7.598
  426   1HG   LYS  59          2HG       LYS  59  -4.054  -4.194   7.332
  427   2HG   LYS  59          1HG       LYS  59  -2.710  -5.079   8.057
  428   1HD   LYS  59          2HD       LYS  59  -4.486  -4.714   9.686
  429   2HD   LYS  59          1HD       LYS  59  -3.024  -3.837  10.145
  430   1HE   LYS  59          2HE       LYS  59  -4.941  -2.345   8.476
  431   2HE   LYS  59          1HE       LYS  59  -5.492  -2.746  10.102
  432   1HZ   LYS  59          1HZ       LYS  59  -4.451  -0.697  10.309
  433   2HZ   LYS  59          2HZ       LYS  59  -3.305  -1.796  10.872
  434    H    ALA  60           H        ALA  60  -3.840  -2.025   5.938
  435    HA   ALA  60           HA       ALA  60  -5.379  -3.752   4.428
  436   1HB   ALA  60          1HB       ALA  60  -5.293  -0.772   4.636
  437   2HB   ALA  60          2HB       ALA  60  -6.524  -1.902   5.207
  438   3HB   ALA  60          3HB       ALA  60  -6.379  -1.550   3.485
  439    H    ILE  61           H        ILE  61  -2.700  -1.779   3.484
  440    HA   ILE  61           HA       ILE  61  -3.037  -1.662   0.730
  441    HB   ILE  61           HB       ILE  61  -1.088  -0.948   2.575
  442   1HG1  ILE  61          1HG1      ILE  61  -1.585   0.538   0.867
  443   2HG1  ILE  61          2HG1      ILE  61   0.055   0.037   0.491
  444   1HG2  ILE  61          1HG2      ILE  61   1.035  -1.692   1.497
  445   2HG2  ILE  61          2HG2      ILE  61   0.105  -2.930   0.669
  446   3HG2  ILE  61          3HG2      ILE  61   0.189  -2.921   2.430
  447   1HD1  ILE  61          1HD1      ILE  61  -1.508  -1.776  -0.880
  448   2HD1  ILE  61          2HD1      ILE  61  -0.667  -0.379  -1.557
  449   3HD1  ILE  61          3HD1      ILE  61  -2.356  -0.241  -1.066
  450    H    LYS  62           H        LYS  62  -1.992  -4.254   2.842
  451    HA   LYS  62           HA       LYS  62  -0.988  -6.073   0.947
  452   1HB   LYS  62          1HB       LYS  62  -2.444  -6.528   3.560
  453   2HB   LYS  62          2HB       LYS  62  -1.721  -7.821   2.614
  454   1HG   LYS  62          2HG       LYS  62   0.437  -6.371   2.796
  455   2HG   LYS  62          1HG       LYS  62  -0.403  -5.649   4.171
  456   1HD   LYS  62          2HD       LYS  62  -0.740  -7.963   5.070
  457   2HD   LYS  62          1HD       LYS  62   0.313  -8.550   3.780
  458   1HE   LYS  62          1HE       LYS  62   1.343  -8.079   6.093
  459   2HE   LYS  62          2HE       LYS  62   2.187  -7.499   4.659
  460   1HZ   LYS  62          1HZ       LYS  62   2.007  -5.872   6.507
  461   2HZ   LYS  62          2HZ       LYS  62   0.340  -5.835   6.267
  462    H    ASN  63           H        ASN  63  -4.190  -5.075   1.871
  463    HA   ASN  63           HA       ASN  63  -5.682  -7.076   0.568
  464   1HB   ASN  63          2HB       ASN  63  -6.480  -5.189   2.189
  465   2HB   ASN  63          1HB       ASN  63  -6.599  -4.218   0.723
  466   1HD2  ASN  63          1HD2      ASN  63  -8.862  -4.468   1.952
  467   2HD2  ASN  63          2HD2      ASN  63  -9.906  -5.626   1.210
  468    H    LEU  64           H        LEU  64  -4.047  -4.145  -0.471
  469    HA   LEU  64           HA       LEU  64  -5.028  -3.726  -3.002
  470   1HB   LEU  64          2HB       LEU  64  -3.044  -2.467  -2.049
  471   2HB   LEU  64          1HB       LEU  64  -2.058  -3.851  -2.430
  472    HG   LEU  64           HG       LEU  64  -3.321  -3.308  -4.828
  473   1HD1  LEU  64          1HD1      LEU  64  -2.959  -0.812  -3.274
  474   2HD1  LEU  64          2HD1      LEU  64  -4.187  -1.238  -4.474
  475   3HD1  LEU  64          3HD1      LEU  64  -2.554  -0.794  -4.987
  476   1HD2  LEU  64          1HD2      LEU  64  -0.806  -3.766  -4.050
  477   2HD2  LEU  64          2HD2      LEU  64  -0.684  -2.030  -4.331
  478   3HD2  LEU  64          3HD2      LEU  64  -1.199  -3.098  -5.632
  479    H    LEU  65           H        LEU  65  -2.204  -5.743  -2.380
  480    HA   LEU  65           HA       LEU  65  -2.244  -6.933  -4.918
  481   1HB   LEU  65          2HB       LEU  65  -0.311  -6.885  -3.325
  482   2HB   LEU  65          1HB       LEU  65  -1.103  -8.139  -2.392
  483    HG   LEU  65           HG       LEU  65  -0.963  -9.050  -5.076
  484   1HD1  LEU  65          1HD1      LEU  65   1.750  -8.252  -4.062
  485   2HD1  LEU  65          2HD1      LEU  65   0.843  -7.282  -5.221
  486   3HD1  LEU  65          3HD1      LEU  65   1.322  -8.928  -5.635
  487   1HD2  LEU  65          1HD2      LEU  65  -0.221  -9.872  -2.402
  488   2HD2  LEU  65          2HD2      LEU  65   0.953 -10.407  -3.605
  489   3HD2  LEU  65          3HD2      LEU  65  -0.748 -10.843  -3.777
  490    H    LYS  66           H        LYS  66  -4.157  -7.611  -2.146
  491    HA   LYS  66           HA       LYS  66  -4.813 -10.315  -2.934
  492   1HB   LYS  66          2HB       LYS  66  -5.701  -8.471  -0.754
  493   2HB   LYS  66          1HB       LYS  66  -6.646  -9.905  -1.114
  494   1HG   LYS  66          1HG       LYS  66  -4.479 -11.209  -0.841
  495   2HG   LYS  66          2HG       LYS  66  -3.821  -9.736  -0.125
  496   1HD   LYS  66          2HD       LYS  66  -5.663  -9.759   1.524
  497   2HD   LYS  66          1HD       LYS  66  -6.221 -11.287   0.841
  498   1HE   LYS  66          1HE       LYS  66  -3.474 -10.845   2.001
  499   2HE   LYS  66          2HE       LYS  66  -4.830 -11.529   2.896
  500   1HZ   LYS  66          1HZ       LYS  66  -3.173 -12.724   0.841
  501   2HZ   LYS  66          2HZ       LYS  66  -4.818 -13.073   0.731
  502    H    ALA  67           H        ALA  67  -6.805  -7.385  -2.485
  503    HA   ALA  67           HA       ALA  67  -9.086  -8.250  -3.810
  504   1HB   ALA  67          1HB       ALA  67  -8.786  -6.123  -2.470
  505   2HB   ALA  67          2HB       ALA  67  -9.747  -5.982  -3.940
  506   3HB   ALA  67          3HB       ALA  67  -8.076  -5.419  -3.923
  507    H    VAL  68           H        VAL  68  -6.203  -6.668  -5.041
  508    HA   VAL  68           HA       VAL  68  -6.851  -6.328  -7.711
  509    HB   VAL  68           HB       VAL  68  -4.329  -6.810  -6.202
  510   1HG1  VAL  68          1HG1      VAL  68  -3.277  -7.773  -7.943
  511   2HG1  VAL  68          2HG1      VAL  68  -3.373  -6.188  -8.711
  512   3HG1  VAL  68          3HG1      VAL  68  -4.597  -7.403  -9.052
  513   1HG2  VAL  68          1HG2      VAL  68  -4.911  -4.608  -6.104
  514   2HG2  VAL  68          2HG2      VAL  68  -5.509  -4.593  -7.762
  515   3HG2  VAL  68          3HG2      VAL  68  -3.772  -4.632  -7.446
  516    H    SER  69           H        SER  69  -5.152  -9.097  -6.239
  517    HA   SER  69           HA       SER  69  -5.571 -10.708  -8.604
  518   1HB   SER  69          2HB       SER  69  -3.446 -10.999  -7.596
  519   2HB   SER  69          1HB       SER  69  -4.147 -11.157  -5.983
  520    HG   SER  69           HG       SER  69  -3.777 -13.050  -7.927
  521    H    LYS  70           H        LYS  70  -5.949 -11.778  -5.250
  522    HA   LYS  70           HA       LYS  70  -8.268 -13.335  -6.018
  523   1HB   LYS  70          1HB       LYS  70  -6.339 -14.032  -4.412
  524   2HB   LYS  70          2HB       LYS  70  -7.229 -13.109  -3.209
  525   1HG   LYS  70          1HG       LYS  70  -8.964 -14.917  -4.646
  526   2HG   LYS  70          2HG       LYS  70  -7.612 -15.768  -3.895
  527   1HD   LYS  70          1HD       LYS  70  -9.248 -13.758  -2.376
  528   2HD   LYS  70          2HD       LYS  70  -9.747 -15.446  -2.508
  529   1HE   LYS  70          1HE       LYS  70  -7.350 -15.974  -1.698
  530   2HE   LYS  70          2HE       LYS  70  -7.328 -14.291  -1.172
  531   1HZ   LYS  70          1HZ       LYS  70  -9.116 -16.462  -0.269
  532   2HZ   LYS  70          2HZ       LYS  70  -9.472 -14.838   0.012
  Start of MODEL    6
    1    H    VAL   7           H        VAL   7  17.202   3.539  -1.801
    2    HA   VAL   7           HA       VAL   7  16.157   2.272  -4.243
    3    HB   VAL   7           HB       VAL   7  15.020   0.724  -2.499
    4   1HG1  VAL   7          1HG1      VAL   7  17.300  -0.529  -2.270
    5   2HG1  VAL   7          2HG1      VAL   7  17.880   0.738  -3.351
    6   3HG1  VAL   7          3HG1      VAL   7  16.561  -0.317  -3.857
    7   1HG2  VAL   7          1HG2      VAL   7  17.350   1.260  -0.759
    8   2HG2  VAL   7          2HG2      VAL   7  15.725   0.715  -0.346
    9   3HG2  VAL   7          3HG2      VAL   7  16.023   2.419  -0.686
   10    H    ARG   8           H        ARG   8  14.237   2.903  -4.966
   11    HA   ARG   8           HA       ARG   8  12.079   3.559  -3.194
   12   1HB   ARG   8          2HB       ARG   8  11.780   5.846  -4.404
   13   2HB   ARG   8          1HB       ARG   8  12.897   5.730  -3.052
   14   1HG   ARG   8          2HG       ARG   8  14.764   5.864  -4.410
   15   2HG   ARG   8          1HG       ARG   8  13.878   5.352  -5.849
   16   1HD   ARG   8          1HD       ARG   8  13.624   7.998  -4.423
   17   2HD   ARG   8          2HD       ARG   8  14.388   7.715  -5.987
   18   1HH1  ARG   8          1HH2      ARG   8  13.516   9.792  -5.843
   19   2HH1  ARG   8          2HH2      ARG   8  12.293  10.737  -6.627
   20   1HH2  ARG   8          1HH1      ARG   8  10.129   8.039  -7.137
   21   2HH2  ARG   8          2HH1      ARG   8  10.368   9.740  -7.362
   22    H    CYS   9           H        CYS   9  10.277   4.684  -4.803
   23    HA   CYS   9           HA       CYS   9  10.263   2.985  -7.208
   24   1HB   CYS   9          1HB       CYS   9   7.592   3.534  -6.646
   25   2HB   CYS   9          2HB       CYS   9   8.409   2.000  -6.439
   26    H    THR  10           H        THR  10   8.101   3.921  -8.512
   27    HA   THR  10           HA       THR  10   8.661   6.788  -8.867
   28    HB   THR  10           HB       THR  10   8.546   6.525 -11.244
   29    HG1  THR  10           HG1      THR  10   7.272   5.008 -11.918
   30   1HG2  THR  10          1HG2      THR  10  10.697   5.997 -11.092
   31   2HG2  THR  10          2HG2      THR  10  10.181   4.338 -11.392
   32   3HG2  THR  10          3HG2      THR  10  10.425   4.899  -9.737
   33    H    CYS  11           H        CYS  11   6.719   6.545  -7.268
   34    HA   CYS  11           HA       CYS  11   4.323   7.048  -8.856
   35   1HB   CYS  11          2HB       CYS  11   4.452   5.092  -6.554
   36   2HB   CYS  11          1HB       CYS  11   2.950   5.723  -7.220
   37    H    ILE  12           H        ILE  12   5.198   9.208  -8.183
   38    HA   ILE  12           HA       ILE  12   5.391  10.179  -5.630
   39    HB   ILE  12           HB       ILE  12   4.146  11.651  -7.953
   40   1HG1  ILE  12          2HG1      ILE  12   7.035  11.401  -7.078
   41   2HG1  ILE  12          1HG1      ILE  12   6.332  10.743  -8.553
   42   1HG2  ILE  12          1HG2      ILE  12   3.744  12.821  -5.898
   43   2HG2  ILE  12          2HG2      ILE  12   5.018  13.660  -6.783
   44   3HG2  ILE  12          3HG2      ILE  12   5.428  12.631  -5.410
   45   1HD1  ILE  12          1HD1      ILE  12   7.683  12.894  -8.725
   46   2HD1  ILE  12          2HD1      ILE  12   6.287  13.679  -7.986
   47   3HD1  ILE  12          3HD1      ILE  12   6.113  12.842  -9.529
   48    H    SER  13           H        SER  13   2.513   9.267  -7.349
   49    HA   SER  13           HA       SER  13   0.833  10.399  -5.223
   50   1HB   SER  13          1HB       SER  13   0.417  10.727  -7.798
   51   2HB   SER  13          2HB       SER  13  -0.293   9.117  -7.687
   52    HG   SER  13           HG       SER  13  -1.436  11.394  -7.087
   53    H    ILE  14           H        ILE  14   1.465   8.763  -3.702
   54    HA   ILE  14           HA       ILE  14   0.522   6.047  -4.267
   55    HB   ILE  14           HB       ILE  14   1.636   5.431  -2.149
   56   1HG1  ILE  14          1HG1      ILE  14   2.769   8.230  -2.129
   57   2HG1  ILE  14          2HG1      ILE  14   1.356   7.780  -1.176
   58   1HG2  ILE  14          1HG2      ILE  14   3.564   5.114  -3.240
   59   2HG2  ILE  14          2HG2      ILE  14   3.825   6.842  -3.474
   60   3HG2  ILE  14          3HG2      ILE  14   2.779   5.952  -4.579
   61   1HD1  ILE  14          1HD1      ILE  14   3.396   5.872  -0.686
   62   2HD1  ILE  14          2HD1      ILE  14   2.672   7.034   0.426
   63   3HD1  ILE  14          3HD1      ILE  14   4.086   7.488  -0.525
   64    H    SER  15           H        SER  15  -0.695   4.922  -2.525
   65    HA   SER  15           HA       SER  15  -2.742   6.717  -1.464
   66   1HB   SER  15          2HB       SER  15  -3.632   4.890  -2.745
   67   2HB   SER  15          1HB       SER  15  -2.693   3.715  -1.824
   68    HG   SER  15           HG       SER  15  -4.769   3.724  -1.020
   69    H    ASN  16           H        ASN  16  -1.900   3.592  -0.054
   70    HA   ASN  16           HA       ASN  16  -1.657   3.029   2.157
   71   1HB   ASN  16          1HB       ASN  16   0.378   4.200   3.191
   72   2HB   ASN  16          2HB       ASN  16   0.634   3.300   1.701
   73   1HD2  ASN  16          1HD2      ASN  16   0.847   6.307   3.253
   74   2HD2  ASN  16          2HD2      ASN  16   1.392   7.236   1.901
   75    H    GLN  17           H        GLN  17  -3.632   5.063   1.663
   76    HA   GLN  17           HA       GLN  17  -3.542   6.533   4.213
   77   1HB   GLN  17          2HB       GLN  17  -4.351   8.420   3.208
   78   2HB   GLN  17          1HB       GLN  17  -3.491   7.729   1.849
   79   1HG   GLN  17          1HG       GLN  17  -5.678   6.681   1.149
   80   2HG   GLN  17          2HG       GLN  17  -6.444   7.723   2.346
   81   1HE2  GLN  17          2HE2      GLN  17  -6.690   9.867   1.933
   82   2HE2  GLN  17          1HE2      GLN  17  -6.294  10.602   0.420
   83    HA   PRO  18           HA       PRO  18  -7.424   5.155   5.762
   84   1HB   PRO  18          2HB       PRO  18  -8.854   7.434   4.461
   85   2HB   PRO  18          1HB       PRO  18  -9.018   6.803   6.104
   86   1HG   PRO  18          1HG       PRO  18  -7.589   8.999   5.641
   87   2HG   PRO  18          2HG       PRO  18  -7.049   7.796   6.824
   88   1HD   PRO  18          2HD       PRO  18  -5.999   8.393   4.117
   89   2HD   PRO  18          1HD       PRO  18  -5.154   7.758   5.538
   90    H    VAL  19           H        VAL  19  -7.350   6.010   2.398
   91    HA   VAL  19           HA       VAL  19  -9.515   4.122   1.853
   92    HB   VAL  19           HB       VAL  19  -9.995   6.159   0.817
   93   1HG1  VAL  19          1HG1      VAL  19  -7.121   6.206  -0.057
   94   2HG1  VAL  19          2HG1      VAL  19  -7.927   7.292   1.078
   95   3HG1  VAL  19          3HG1      VAL  19  -8.341   7.342  -0.640
   96   1HG2  VAL  19          1HG2      VAL  19  -9.516   3.916  -0.765
   97   2HG2  VAL  19          2HG2      VAL  19  -8.886   5.288  -1.679
   98   3HG2  VAL  19          3HG2      VAL  19 -10.564   5.288  -1.132
   99    H    ASN  20           H        ASN  20  -7.845   2.496   2.490
  100    HA   ASN  20           HA       ASN  20  -5.679   1.844   0.787
  101   1HB   ASN  20          2HB       ASN  20  -7.342   0.009   2.540
  102   2HB   ASN  20          1HB       ASN  20  -5.707  -0.285   1.979
  103   1HD2  ASN  20          1HD2      ASN  20  -4.115   1.456   2.539
  104   2HD2  ASN  20          2HD2      ASN  20  -4.181   2.053   4.160
  105    HA   PRO  21           HA       PRO  21  -7.385  -0.337  -2.637
  106   1HB   PRO  21          1HB       PRO  21  -7.195  -3.067  -1.463
  107   2HB   PRO  21          2HB       PRO  21  -6.637  -2.460  -3.042
  108   1HG   PRO  21          2HG       PRO  21  -4.888  -2.806  -1.073
  109   2HG   PRO  21          1HG       PRO  21  -4.801  -1.354  -2.081
  110   1HD   PRO  21          1HD       PRO  21  -5.910  -1.712   0.674
  111   2HD   PRO  21          2HD       PRO  21  -4.865  -0.419   0.042
  112    H    ARG  22           H        ARG  22  -8.986  -0.785   0.381
  113    HA   ARG  22           HA       ARG  22 -11.310  -2.158  -0.251
  114   1HB   ARG  22          1HB       ARG  22 -10.522  -0.177   1.674
  115   2HB   ARG  22          2HB       ARG  22 -12.097   0.257   1.028
  116   1HG   ARG  22          1HG       ARG  22 -12.571  -2.312   1.492
  117   2HG   ARG  22          2HG       ARG  22 -11.301  -2.058   2.689
  118   1HD   ARG  22          1HD       ARG  22 -12.783   0.105   3.186
  119   2HD   ARG  22          2HD       ARG  22 -14.046  -0.955   2.562
  120   1HH1  ARG  22          1HH2      ARG  22 -14.535  -2.850   2.650
  121   2HH1  ARG  22          2HH2      ARG  22 -15.068  -4.095   3.732
  122   1HH2  ARG  22          1HH1      ARG  22 -13.330  -2.840   6.493
  123   2HH2  ARG  22          2HH1      ARG  22 -14.382  -4.088   5.917
  124    H    SER  23           H        SER  23 -10.103   0.946  -1.202
  125    HA   SER  23           HA       SER  23 -12.255   1.343  -3.159
  126   1HB   SER  23          2HB       SER  23 -11.328   3.264  -1.699
  127   2HB   SER  23          1HB       SER  23  -9.868   3.138  -2.677
  128    HG   SER  23           HG       SER  23 -11.136   4.651  -3.645
  129    H    LEU  24           H        LEU  24 -11.746  -0.310  -4.602
  130    HA   LEU  24           HA       LEU  24  -9.195  -0.064  -6.058
  131   1HB   LEU  24          2HB       LEU  24  -8.574  -1.695  -4.450
  132   2HB   LEU  24          1HB       LEU  24 -10.093  -2.552  -4.622
  133    HG   LEU  24           HG       LEU  24  -8.715  -2.488  -7.152
  134   1HD1  LEU  24          1HD2      LEU  24  -6.840  -2.375  -5.235
  135   2HD1  LEU  24          2HD2      LEU  24  -6.636  -3.292  -6.728
  136   3HD1  LEU  24          3HD2      LEU  24  -7.135  -4.114  -5.250
  137   1HD2  LEU  24          1HD1      LEU  24  -8.770  -5.056  -6.500
  138   2HD2  LEU  24          2HD1      LEU  24 -10.219  -4.180  -6.999
  139   3HD2  LEU  24          3HD1      LEU  24  -9.902  -4.458  -5.286
  140    H    GLU  25           H        GLU  25  -9.407  -0.547  -8.226
  141    HA   GLU  25           HA       GLU  25 -11.854  -1.918  -9.092
  142   1HB   GLU  25          1HB       GLU  25 -11.949   0.773  -9.010
  143   2HB   GLU  25          2HB       GLU  25 -11.251   0.565 -10.607
  144   1HG   GLU  25          2HG       GLU  25 -13.638  -1.050  -9.920
  145   2HG   GLU  25          1HG       GLU  25 -13.853   0.673 -10.222
  146    H    LYS  26           H        LYS  26  -9.455   0.066 -10.778
  147    HA   LYS  26           HA       LYS  26  -8.848  -2.248 -12.483
  148   1HB   LYS  26          2HB       LYS  26  -8.077   0.550 -13.221
  149   2HB   LYS  26          1HB       LYS  26  -8.430  -0.814 -14.268
  150   1HG   LYS  26          2HG       LYS  26 -10.573   0.473 -12.611
  151   2HG   LYS  26          1HG       LYS  26 -10.107   1.112 -14.190
  152   1HD   LYS  26          1HD       LYS  26 -10.789  -1.786 -13.857
  153   2HD   LYS  26          2HD       LYS  26 -12.061  -0.578 -14.048
  154   1HE   LYS  26          1HE       LYS  26  -9.775  -0.610 -15.963
  155   2HE   LYS  26          2HE       LYS  26 -11.065  -1.800 -16.136
  156   1HZ   LYS  26          1HZ       LYS  26 -11.417   1.142 -16.090
  157   2HZ   LYS  26          2HZ       LYS  26 -12.660   0.014 -16.231
  158   1HN   MLE  27          1HM       LEM  27  -7.708  -3.711 -11.960
  159   2HN   MLE  27          2HM       LEM  27  -8.272  -3.412 -10.318
  160   3HN   MLE  27          3HM       LEM  27  -6.748  -4.255 -10.586
  161    HA   MLE  27           HA       LEM  27  -5.067  -1.261 -10.419
  162   1HB   MLE  27          1HB       LEM  27  -5.019  -3.499  -8.636
  163   2HB   MLE  27          2HB       LEM  27  -6.627  -2.806  -8.636
  164    HG   MLE  27           HG       LEM  27  -4.488  -0.834  -8.420
  165   1HD1  MLE  27          1HD1      LEM  27  -7.182  -1.347  -7.374
  166   2HD1  MLE  27          2HD1      LEM  27  -6.448   0.151  -7.929
  167   3HD1  MLE  27          3HD1      LEM  27  -6.093  -0.456  -6.311
  168   1HD2  MLE  27          1HD2      LEM  27  -3.914  -3.089  -7.095
  169   2HD2  MLE  27          2HD2      LEM  27  -4.911  -2.258  -5.904
  170   3HD2  MLE  27          3HD2      LEM  27  -3.465  -1.476  -6.548
  171    H    GLU  28           H        GLU  28  -3.594  -1.651 -11.927
  172    HA   GLU  28           HA       GLU  28  -2.958  -4.385 -12.725
  173   1HB   GLU  28          2HB       GLU  28  -3.128  -2.699 -14.487
  174   2HB   GLU  28          1HB       GLU  28  -1.890  -1.731 -13.703
  175   1HG   GLU  28          1HG       GLU  28  -1.210  -3.116 -15.700
  176   2HG   GLU  28          2HG       GLU  28  -0.203  -3.243 -14.258
  177    H    ILE  29           H        ILE  29  -1.707  -5.423 -11.283
  178    HA   ILE  29           HA       ILE  29   0.287  -3.968  -9.786
  179    HB   ILE  29           HB       ILE  29   0.504  -5.873  -8.410
  180   1HG1  ILE  29          2HG1      ILE  29  -0.872  -7.995  -9.119
  181   2HG1  ILE  29          1HG1      ILE  29  -0.676  -7.346 -10.745
  182   1HG2  ILE  29          1HG2      ILE  29  -1.508  -5.643  -7.473
  183   2HG2  ILE  29          2HG2      ILE  29  -2.325  -6.346  -8.869
  184   3HG2  ILE  29          3HG2      ILE  29  -1.913  -4.632  -8.862
  185   1HD1  ILE  29          1HD1      ILE  29   1.866  -7.240  -9.618
  186   2HD1  ILE  29          2HD1      ILE  29   1.274  -8.383 -10.826
  187   3HD1  ILE  29          3HD1      ILE  29   1.193  -8.792  -9.112
  188    H    ILE  30           H        ILE  30   2.423  -4.131  -9.883
  189    HA   ILE  30           HA       ILE  30   3.645  -5.921 -11.860
  190    HB   ILE  30           HB       ILE  30   5.112  -3.432 -11.421
  191   1HG1  ILE  30          2HG1      ILE  30   2.907  -2.440 -11.550
  192   2HG1  ILE  30          1HG1      ILE  30   3.740  -2.200 -13.073
  193   1HG2  ILE  30          1HG2      ILE  30   4.656  -3.966 -14.145
  194   2HG2  ILE  30          2HG2      ILE  30   4.873  -5.526 -13.355
  195   3HG2  ILE  30          3HG2      ILE  30   6.116  -4.285 -13.207
  196   1HD1  ILE  30          1HD1      ILE  30   2.332  -4.592 -13.352
  197   2HD1  ILE  30          2HD1      ILE  30   2.002  -3.038 -14.122
  198   3HD1  ILE  30          3HD1      ILE  30   1.232  -3.442 -12.589
  199    HA   PRO  31           HA       PRO  31   6.256  -6.808  -8.382
  200   1HB   PRO  31          1HB       PRO  31   8.361  -7.993  -9.574
  201   2HB   PRO  31          2HB       PRO  31   6.754  -8.722  -9.552
  202   1HG   PRO  31          2HG       PRO  31   8.214  -7.461 -11.779
  203   2HG   PRO  31          1HG       PRO  31   6.902  -8.647 -11.823
  204   1HD   PRO  31          1HD       PRO  31   6.739  -5.811 -12.196
  205   2HD   PRO  31          2HD       PRO  31   5.419  -6.995 -12.237
  206    H    ALA  32           H        ALA  32   6.825  -4.755  -7.558
  207    HA   ALA  32           HA       ALA  32   9.091  -3.333  -8.638
  208   1HB   ALA  32          1HB       ALA  32   7.029  -2.348  -7.392
  209   2HB   ALA  32          2HB       ALA  32   8.625  -1.649  -7.120
  210   3HB   ALA  32          3HB       ALA  32   7.939  -2.756  -5.939
  211    H    SER  33           H        SER  33  11.169  -3.524  -8.016
  212    HA   SER  33           HA       SER  33  11.929  -4.497  -5.441
  213   1HB   SER  33          2HB       SER  33  13.344  -6.344  -6.944
  214   2HB   SER  33          1HB       SER  33  11.940  -6.695  -5.937
  215    HG   SER  33           HG       SER  33  12.121  -6.406  -8.711
  216    H    GLN  34           H        GLN  34  13.067  -4.147  -8.790
  217    HA   GLN  34           HA       GLN  34  15.725  -3.762  -8.488
  218   1HB   GLN  34          1HB       GLN  34  14.681  -3.684 -10.664
  219   2HB   GLN  34          2HB       GLN  34  13.839  -2.195 -10.254
  220   1HG   GLN  34          1HG       GLN  34  15.643  -1.610 -11.659
  221   2HG   GLN  34          2HG       GLN  34  16.076  -1.098 -10.028
  222   1HE2  GLN  34          2HE2      GLN  34  17.166  -2.614 -12.740
  223   2HE2  GLN  34          1HE2      GLN  34  18.492  -3.492 -12.063
  224    H    PHE  35           H        PHE  35  13.214  -1.396  -7.759
  225    HA   PHE  35           HA       PHE  35  15.256   0.216  -6.388
  226   1HB   PHE  35          2HB       PHE  35  12.930   1.314  -7.981
  227   2HB   PHE  35          1HB       PHE  35  14.116   2.263  -7.092
  228    HD1  PHE  35           HD1      PHE  35  13.229   1.125 -10.247
  229    HD2  PHE  35           HD2      PHE  35  16.635   1.695  -7.761
  230    HE1  PHE  35           HE1      PHE  35  14.667   1.206 -12.242
  231    HE2  PHE  35           HE2      PHE  35  18.079   1.778  -9.750
  232    HZ   PHE  35           HZ       PHE  35  17.096   1.533 -11.995
  233    H    CYS  36           H        CYS  36  11.784  -0.493  -6.686
  234    HA   CYS  36           HA       CYS  36  11.508   0.169  -3.838
  235   1HB   CYS  36          1HB       CYS  36  10.114   1.382  -5.738
  236   2HB   CYS  36          2HB       CYS  36   9.115  -0.063  -5.602
  237    HA   PRO  37           HA       PRO  37  10.894  -4.336  -3.627
  238   1HB   PRO  37          2HB       PRO  37  11.154  -4.550  -0.973
  239   2HB   PRO  37          1HB       PRO  37  12.564  -4.215  -1.993
  240   1HG   PRO  37          2HG       PRO  37  10.793  -2.250  -0.553
  241   2HG   PRO  37          1HG       PRO  37  12.554  -2.430  -0.405
  242   1HD   PRO  37          2HD       PRO  37  11.515  -0.592  -2.019
  243   2HD   PRO  37          1HD       PRO  37  12.920  -1.547  -2.550
  244    H    ARG  38           H        ARG  38   8.631  -3.359  -4.260
  245    HA   ARG  38           HA       ARG  38   6.719  -4.386  -2.368
  246   1HB   ARG  38          2HB       ARG  38   5.775  -1.761  -3.191
  247   2HB   ARG  38          1HB       ARG  38   5.790  -2.490  -1.596
  248   1HG   ARG  38          2HG       ARG  38   8.351  -1.409  -2.653
  249   2HG   ARG  38          1HG       ARG  38   7.107  -0.276  -2.133
  250   1HD   ARG  38          2HD       ARG  38   7.205  -2.209  -0.128
  251   2HD   ARG  38          1HD       ARG  38   8.887  -1.897  -0.549
  252   1HH1  ARG  38          1HH2      ARG  38   7.989  -2.209   1.764
  253   2HH1  ARG  38          2HH2      ARG  38   7.998  -1.281   3.227
  254   1HH2  ARG  38          1HH1      ARG  38   7.811   1.812   1.609
  255   2HH2  ARG  38          2HH1      ARG  38   7.896   1.005   3.139
  256    H    VAL  39           H        VAL  39   4.440  -3.120  -3.586
  257    HA   VAL  39           HA       VAL  39   4.539  -4.490  -6.172
  258    HB   VAL  39           HB       VAL  39   1.942  -3.482  -5.077
  259   1HG1  VAL  39          1HG2      VAL  39   1.808  -4.475  -7.201
  260   2HG1  VAL  39          2HG2      VAL  39   1.236  -5.708  -6.077
  261   3HG1  VAL  39          3HG2      VAL  39   2.868  -5.808  -6.742
  262   1HG2  VAL  39          1HG1      VAL  39   3.193  -4.625  -3.190
  263   2HG2  VAL  39          2HG1      VAL  39   3.140  -6.096  -4.161
  264   3HG2  VAL  39          3HG1      VAL  39   1.641  -5.337  -3.624
  265    H    GLU  40           H        GLU  40   4.558  -3.378  -8.003
  266    HA   GLU  40           HA       GLU  40   4.182  -0.480  -7.931
  267   1HB   GLU  40          1HB       GLU  40   5.420  -2.429  -9.801
  268   2HB   GLU  40          2HB       GLU  40   4.617  -1.057 -10.549
  269   1HG   GLU  40          2HG       GLU  40   6.372  -0.337  -8.334
  270   2HG   GLU  40          1HG       GLU  40   7.191  -1.099  -9.695
  271    H    ILE  41           H        ILE  41   2.209   0.382  -8.435
  272    HA   ILE  41           HA       ILE  41   0.395  -1.281 -10.002
  273    HB   ILE  41           HB       ILE  41   0.436  -1.727  -7.428
  274   1HG1  ILE  41          1HG1      ILE  41  -1.030  -2.896  -8.884
  275   2HG1  ILE  41          2HG1      ILE  41  -2.004  -2.288  -7.552
  276   1HG2  ILE  41          1HG2      ILE  41  -0.018   0.743  -6.953
  277   2HG2  ILE  41          2HG2      ILE  41  -0.925  -0.464  -6.044
  278   3HG2  ILE  41          3HG2      ILE  41  -1.685   0.377  -7.395
  279   1HD1  ILE  41          1HD1      ILE  41  -2.534  -0.320  -9.081
  280   2HD1  ILE  41          2HD1      ILE  41  -3.268  -1.877  -9.435
  281   3HD1  ILE  41          3HD1      ILE  41  -1.893  -1.330 -10.374
  282    H    ILE  42           H        ILE  42  -0.745  -0.171 -11.374
  283    HA   ILE  42           HA       ILE  42  -1.261   2.677 -10.933
  284    HB   ILE  42           HB       ILE  42  -2.140   1.068 -13.321
  285   1HG1  ILE  42          2HG1      ILE  42   0.306   0.863 -13.108
  286   2HG1  ILE  42          1HG1      ILE  42  -0.132   1.869 -14.486
  287   1HG2  ILE  42          1HG2      ILE  42  -1.634   3.655 -14.087
  288   2HG2  ILE  42          2HG2      ILE  42  -2.262   3.848 -12.447
  289   3HG2  ILE  42          3HG2      ILE  42  -3.217   3.000 -13.665
  290   1HD1  ILE  42          1HD1      ILE  42   0.174   3.588 -12.277
  291   2HD1  ILE  42          2HD1      ILE  42   1.191   3.454 -13.712
  292   3HD1  ILE  42          3HD1      ILE  42   1.550   2.487 -12.282
  293    H    ALA  43           H        ALA  43  -2.671   2.417  -9.205
  294    HA   ALA  43           HA       ALA  43  -4.917   0.638  -9.444
  295   1HB   ALA  43          1HB       ALA  43  -5.370   1.498  -7.086
  296   2HB   ALA  43          2HB       ALA  43  -3.857   2.386  -7.249
  297   3HB   ALA  43          3HB       ALA  43  -3.859   0.626  -7.338
  298    H    THR  44           H        THR  44  -6.817   1.110 -10.154
  299    HA   THR  44           HA       THR  44  -7.767   3.891 -10.033
  300    HB   THR  44           HB       THR  44  -8.738   1.563 -11.699
  301    HG1  THR  44           HG1      THR  44  -7.418   2.477 -13.035
  302   1HG2  THR  44          1HG2      THR  44 -10.029   4.219 -11.194
  303   2HG2  THR  44          2HG2      THR  44 -10.748   2.608 -11.129
  304   3HG2  THR  44          3HG2      THR  44 -10.299   3.310 -12.683
  305    H    MET  45           H        MET  45  -9.243   4.351  -8.544
  306    HA   MET  45           HA       MET  45  -9.840   2.291  -6.646
  307   1HB   MET  45          2HB       MET  45  -9.875   5.251  -6.744
  308   2HB   MET  45          1HB       MET  45 -10.949   4.498  -5.584
  309   1HG   MET  45          2HG       MET  45  -9.145   3.448  -4.463
  310   2HG   MET  45          1HG       MET  45  -8.021   3.860  -5.759
  311   1HE   MET  45          1HE       MET  45  -6.086   5.602  -4.431
  312   2HE   MET  45          2HE       MET  45  -6.777   4.257  -3.524
  313   3HE   MET  45          3HE       MET  45  -6.669   5.856  -2.785
  314    H    LYS  46           H        LYS  46 -11.623   1.095  -6.623
  315    HA   LYS  46           HA       LYS  46 -14.106   2.149  -7.751
  316   1HB   LYS  46          2HB       LYS  46 -13.278  -0.337  -7.996
  317   2HB   LYS  46          1HB       LYS  46 -13.947  -0.509  -6.387
  318   1HG   LYS  46          1HG       LYS  46 -15.597   0.708  -8.552
  319   2HG   LYS  46          2HG       LYS  46 -15.397  -1.045  -8.475
  320   1HD   LYS  46          2HD       LYS  46 -16.098   0.321  -5.947
  321   2HD   LYS  46          1HD       LYS  46 -17.350   0.268  -7.190
  322   1HE   LYS  46          1HE       LYS  46 -17.354  -2.086  -7.234
  323   2HE   LYS  46          2HE       LYS  46 -15.835  -2.183  -6.343
  324   1HZ   LYS  46          1HZ       LYS  46 -18.317  -2.386  -5.280
  325   2HZ   LYS  46          2HZ       LYS  46 -17.905  -0.790  -4.927
  326    H    LYS  47           H        LYS  47 -14.795   3.607  -6.407
  327    HA   LYS  47           HA       LYS  47 -16.082   3.166  -4.032
  328   1HB   LYS  47          2HB       LYS  47 -13.473   2.848  -3.449
  329   2HB   LYS  47          1HB       LYS  47 -13.623   4.579  -3.226
  330   1HG   LYS  47          1HG       LYS  47 -15.521   4.144  -1.709
  331   2HG   LYS  47          2HG       LYS  47 -15.132   2.426  -1.800
  332   1HD   LYS  47          2HD       LYS  47 -12.897   4.245  -1.156
  333   2HD   LYS  47          1HD       LYS  47 -14.150   4.091   0.076
  334   1HE   LYS  47          1HE       LYS  47 -13.133   1.599  -1.171
  335   2HE   LYS  47          2HE       LYS  47 -12.072   2.441  -0.042
  336   1HZ   LYS  47          1HZ       LYS  47 -14.558   2.384   1.143
  337   2HZ   LYS  47          2HZ       LYS  47 -14.352   0.844   0.490
  338    H    LYS  48           H        LYS  48 -14.042   5.255  -5.917
  339    HA   LYS  48           HA       LYS  48 -16.059   7.302  -6.007
  340   1HB   LYS  48          1HB       LYS  48 -14.776   7.629  -3.846
  341   2HB   LYS  48          2HB       LYS  48 -13.372   8.009  -4.836
  342   1HG   LYS  48          2HG       LYS  48 -14.343  10.068  -4.195
  343   2HG   LYS  48          1HG       LYS  48 -14.718   9.828  -5.903
  344   1HD   LYS  48          1HD       LYS  48 -16.877  10.074  -5.439
  345   2HD   LYS  48          2HD       LYS  48 -16.805   8.637  -4.417
  346   1HE   LYS  48          2HE       LYS  48 -16.235  11.470  -3.558
  347   2HE   LYS  48          1HE       LYS  48 -17.679  10.535  -3.173
  348   1HZ   LYS  48          1HZ       LYS  48 -15.235  10.608  -1.813
  349   2HZ   LYS  48          2HZ       LYS  48 -16.639   9.771  -1.407
  350    H    GLY  49           H        GLY  49 -14.467   5.512  -7.780
  351   1HA   GLY  49          1HA       GLY  49 -13.231   5.576  -9.724
  352   2HA   GLY  49          2HA       GLY  49 -14.220   6.993 -10.036
  353    H    GLU  50           H        GLU  50 -11.319   6.084  -8.161
  354    HA   GLU  50           HA       GLU  50 -10.080   8.569  -9.148
  355   1HB   GLU  50          1HB       GLU  50 -10.734   8.712  -6.743
  356   2HB   GLU  50          2HB       GLU  50  -9.659   7.361  -6.411
  357   1HG   GLU  50          2HG       GLU  50  -7.997   9.070  -7.717
  358   2HG   GLU  50          1HG       GLU  50  -9.056  10.187  -6.856
  359    H    LYS  51           H        LYS  51  -8.254   8.294 -10.235
  360    HA   LYS  51           HA       LYS  51  -6.968   5.685 -10.211
  361   1HB   LYS  51          2HB       LYS  51  -7.499   7.088 -12.311
  362   2HB   LYS  51          1HB       LYS  51  -6.100   8.053 -11.855
  363   1HG   LYS  51          1HG       LYS  51  -5.153   5.469 -11.734
  364   2HG   LYS  51          2HG       LYS  51  -6.232   5.451 -13.131
  365   1HD   LYS  51          2HD       LYS  51  -4.531   7.818 -13.015
  366   2HD   LYS  51          1HD       LYS  51  -3.623   6.309 -13.130
  367   1HE   LYS  51          2HE       LYS  51  -5.957   6.576 -14.919
  368   2HE   LYS  51          1HE       LYS  51  -4.585   7.627 -15.264
  369   1HZ   LYS  51          1HZ       LYS  51  -3.454   5.939 -16.093
  370   2HZ   LYS  51          2HZ       LYS  51  -4.867   5.023 -16.025
  371    H    ARG  52           H        ARG  52  -5.025   5.239  -9.349
  372    HA   ARG  52           HA       ARG  52  -3.242   7.369  -8.504
  373   1HB   ARG  52          1HB       ARG  52  -5.022   6.796  -6.678
  374   2HB   ARG  52          2HB       ARG  52  -4.051   5.350  -6.434
  375   1HG   ARG  52          1HG       ARG  52  -2.096   6.746  -5.973
  376   2HG   ARG  52          2HG       ARG  52  -3.081   8.192  -6.202
  377   1HD   ARG  52          1HD       ARG  52  -4.089   6.193  -4.271
  378   2HD   ARG  52          2HD       ARG  52  -2.636   7.077  -3.805
  379   1HH1  ARG  52          2HH1      ARG  52  -1.928   8.938  -4.136
  380   2HH1  ARG  52          1HH1      ARG  52  -2.185  10.592  -3.693
  381   1HH2  ARG  52          2HH2      ARG  52  -5.656  10.277  -3.400
  382   2HH2  ARG  52          1HH2      ARG  52  -4.305  11.355  -3.276
  383    H    CYS  53           H        CYS  53  -1.172   6.538  -7.694
  384    HA   CYS  53           HA       CYS  53  -0.558   3.859  -8.776
  385   1HB   CYS  53          2HB       CYS  53   0.514   5.905  -9.901
  386   2HB   CYS  53          1HB       CYS  53   1.456   6.080  -8.424
  387    H    LEU  54           H        LEU  54  -0.804   2.663  -6.933
  388    HA   LEU  54           HA       LEU  54   0.341   3.600  -4.445
  389   1HB   LEU  54          2HB       LEU  54  -0.842   0.888  -4.657
  390   2HB   LEU  54          1HB       LEU  54  -0.977   2.072  -3.375
  391    HG   LEU  54           HG       LEU  54  -2.531   1.910  -5.937
  392   1HD1  LEU  54          1HD1      LEU  54  -4.144   1.147  -4.623
  393   2HD1  LEU  54          2HD1      LEU  54  -4.009   2.561  -3.576
  394   3HD1  LEU  54          3HD1      LEU  54  -3.003   1.144  -3.278
  395   1HD2  LEU  54          1HD2      LEU  54  -2.357   4.148  -6.072
  396   2HD2  LEU  54          2HD2      LEU  54  -1.792   4.308  -4.410
  397   3HD2  LEU  54          3HD2      LEU  54  -3.516   4.133  -4.743
  398    H    ASN  55           H        ASN  55   1.573   2.157  -3.072
  399    HA   ASN  55           HA       ASN  55   3.256   0.203  -4.409
  400   1HB   ASN  55          1HB       ASN  55   4.184   2.844  -3.433
  401   2HB   ASN  55          2HB       ASN  55   5.168   1.465  -2.949
  402   1HD2  ASN  55          1HD2      ASN  55   4.920   3.794  -5.174
  403   2HD2  ASN  55          2HD2      ASN  55   5.673   3.021  -6.524
  404    HA   PRO  56           HA       PRO  56   0.973  -1.205  -0.589
  405   1HB   PRO  56          2HB       PRO  56   2.741  -3.296  -1.840
  406   2HB   PRO  56          1HB       PRO  56   1.284  -3.559  -0.864
  407   1HG   PRO  56          1HG       PRO  56   1.044  -3.410  -3.491
  408   2HG   PRO  56          2HG       PRO  56  -0.113  -2.556  -2.468
  409   1HD   PRO  56          2HD       PRO  56   2.014  -1.453  -4.192
  410   2HD   PRO  56          1HD       PRO  56   0.574  -0.654  -3.532
  411    H    GLU  57           H        GLU  57   2.157   0.284   0.690
  412    HA   GLU  57           HA       GLU  57   4.381  -0.994   2.126
  413   1HB   GLU  57          2HB       GLU  57   4.966   1.330   2.885
  414   2HB   GLU  57          1HB       GLU  57   5.175   1.049   1.162
  415   1HG   GLU  57          1HG       GLU  57   3.953   2.852   0.786
  416   2HG   GLU  57          2HG       GLU  57   2.561   1.990   1.441
  417    H    SER  58           H        SER  58   1.173   0.247   2.320
  418    HA   SER  58           HA       SER  58   1.087   0.643   5.155
  419   1HB   SER  58          1HB       SER  58  -0.465   1.356   2.935
  420   2HB   SER  58          2HB       SER  58  -1.499   0.293   3.877
  421    HG   SER  58           HG       SER  58  -1.794   1.918   5.161
  422    H    LYS  59           H        LYS  59  -1.406  -0.451   5.787
  423    HA   LYS  59           HA       LYS  59  -0.683  -3.242   6.190
  424   1HB   LYS  59          1HB       LYS  59  -3.103  -1.874   7.314
  425   2HB   LYS  59          2HB       LYS  59  -2.282  -3.298   7.924
  426   1HG   LYS  59          2HG       LYS  59  -0.456  -2.020   8.714
  427   2HG   LYS  59          1HG       LYS  59  -0.996  -0.583   7.842
  428   1HD   LYS  59          2HD       LYS  59  -3.109  -0.727   9.275
  429   2HD   LYS  59          1HD       LYS  59  -2.200  -1.858  10.281
  430   1HE   LYS  59          2HE       LYS  59  -1.233   0.907   9.585
  431   2HE   LYS  59          1HE       LYS  59  -2.150   0.534  11.045
  432   1HZ   LYS  59          1HZ       LYS  59   0.527  -0.472  10.287
  433   2HZ   LYS  59          2HZ       LYS  59   0.135   0.515  11.594
  434    H    ALA  60           H        ALA  60  -3.876  -1.736   5.563
  435    HA   ALA  60           HA       ALA  60  -5.051  -3.950   4.330
  436   1HB   ALA  60          1HB       ALA  60  -6.694  -2.446   4.656
  437   2HB   ALA  60          2HB       ALA  60  -6.257  -1.880   3.044
  438   3HB   ALA  60          3HB       ALA  60  -5.607  -1.070   4.469
  439    H    ILE  61           H        ILE  61  -2.754  -1.653   3.210
  440    HA   ILE  61           HA       ILE  61  -2.875  -1.716   0.489
  441    HB   ILE  61           HB       ILE  61  -1.083  -0.956   2.495
  442   1HG1  ILE  61          1HG1      ILE  61  -1.523   0.624   0.885
  443   2HG1  ILE  61          2HG1      ILE  61   0.125   0.164   0.490
  444   1HG2  ILE  61          1HG2      ILE  61   0.216  -2.960   2.254
  445   2HG2  ILE  61          2HG2      ILE  61   1.129  -1.567   1.699
  446   3HG2  ILE  61          3HG2      ILE  61   0.402  -2.658   0.533
  447   1HD1  ILE  61          1HD1      ILE  61  -0.587  -0.126  -1.580
  448   2HD1  ILE  61          2HD1      ILE  61  -2.276  -0.030  -1.084
  449   3HD1  ILE  61          3HD1      ILE  61  -1.419  -1.568  -0.998
  450    H    LYS  62           H        LYS  62  -1.536  -4.132   2.700
  451    HA   LYS  62           HA       LYS  62  -0.379  -5.906   0.880
  452   1HB   LYS  62          1HB       LYS  62  -1.867  -6.602   3.425
  453   2HB   LYS  62          2HB       LYS  62  -0.722  -7.638   2.583
  454   1HG   LYS  62          1HG       LYS  62   0.441  -5.068   3.193
  455   2HG   LYS  62          2HG       LYS  62  -0.171  -5.868   4.642
  456   1HD   LYS  62          2HD       LYS  62   1.584  -7.252   2.625
  457   2HD   LYS  62          1HD       LYS  62   2.226  -6.380   4.019
  458   1HE   LYS  62          2HE       LYS  62   0.187  -8.064   4.986
  459   2HE   LYS  62          1HE       LYS  62   1.159  -9.033   3.881
  460   1HZ   LYS  62          1HZ       LYS  62   2.917  -8.979   5.234
  461   2HZ   LYS  62          2HZ       LYS  62   1.771  -8.660   6.428
  462    H    ASN  63           H        ASN  63  -3.696  -5.334   1.775
  463    HA   ASN  63           HA       ASN  63  -4.832  -7.584   0.444
  464   1HB   ASN  63          1HB       ASN  63  -5.802  -5.742   2.196
  465   2HB   ASN  63          2HB       ASN  63  -6.467  -5.132   0.685
  466   1HD2  ASN  63          2HD2      ASN  63  -5.947  -8.325   2.154
  467   2HD2  ASN  63          1HD2      ASN  63  -7.550  -8.903   1.869
  468    H    LEU  64           H        LEU  64  -3.694  -4.461  -0.533
  469    HA   LEU  64           HA       LEU  64  -5.028  -3.959  -2.883
  470   1HB   LEU  64          2HB       LEU  64  -3.192  -2.498  -2.021
  471   2HB   LEU  64          1HB       LEU  64  -2.032  -3.710  -2.508
  472    HG   LEU  64           HG       LEU  64  -3.468  -3.245  -4.818
  473   1HD1  LEU  64          1HD1      LEU  64  -3.025  -0.642  -4.898
  474   2HD1  LEU  64          2HD1      LEU  64  -3.321  -0.775  -3.167
  475   3HD1  LEU  64          3HD1      LEU  64  -4.558  -1.294  -4.317
  476   1HD2  LEU  64          1HD2      LEU  64  -1.433  -2.730  -5.711
  477   2HD2  LEU  64          2HD2      LEU  64  -0.878  -3.437  -4.194
  478   3HD2  LEU  64          3HD2      LEU  64  -0.976  -1.685  -4.368
  479    H    LEU  65           H        LEU  65  -1.925  -5.614  -2.699
  480    HA   LEU  65           HA       LEU  65  -2.243  -6.642  -5.352
  481   1HB   LEU  65          1HB       LEU  65  -0.039  -6.123  -4.616
  482   2HB   LEU  65          2HB       LEU  65  -0.199  -7.134  -3.194
  483    HG   LEU  65           HG       LEU  65  -0.222  -9.138  -4.631
  484   1HD1  LEU  65          1HD2      LEU  65  -0.928  -8.770  -6.728
  485   2HD1  LEU  65          2HD2      LEU  65   0.766  -8.396  -7.045
  486   3HD1  LEU  65          3HD2      LEU  65  -0.380  -7.092  -6.727
  487   1HD2  LEU  65          1HD1      LEU  65   2.005  -9.243  -4.537
  488   2HD2  LEU  65          2HD1      LEU  65   1.929  -7.597  -3.909
  489   3HD2  LEU  65          3HD1      LEU  65   2.205  -7.873  -5.628
  490    H    LYS  66           H        LYS  66  -2.960  -7.896  -2.200
  491    HA   LYS  66           HA       LYS  66  -3.041 -10.650  -3.009
  492   1HB   LYS  66          1HB       LYS  66  -2.747  -9.542  -0.622
  493   2HB   LYS  66          2HB       LYS  66  -4.502  -9.663  -0.604
  494   1HG   LYS  66          1HG       LYS  66  -4.454 -12.004  -0.743
  495   2HG   LYS  66          2HG       LYS  66  -2.752 -12.022  -1.212
  496   1HD   LYS  66          2HD       LYS  66  -3.271 -10.715   1.357
  497   2HD   LYS  66          1HD       LYS  66  -3.692 -12.428   1.322
  498   1HE   LYS  66          2HE       LYS  66  -1.206 -12.174   0.022
  499   2HE   LYS  66          1HE       LYS  66  -1.111 -11.205   1.492
  500   1HZ   LYS  66          1HZ       LYS  66  -1.194 -13.004   2.788
  501   2HZ   LYS  66          2HZ       LYS  66  -0.651 -13.814   1.412
  502    H    ALA  67           H        ALA  67  -5.444  -8.140  -2.391
  503    HA   ALA  67           HA       ALA  67  -7.644  -9.866  -3.058
  504   1HB   ALA  67          1HB       ALA  67  -7.431  -7.680  -1.473
  505   2HB   ALA  67          2HB       ALA  67  -8.952  -8.330  -2.082
  506   3HB   ALA  67          3HB       ALA  67  -8.168  -6.989  -2.919
  507    H    VAL  68           H        VAL  68  -5.591  -7.690  -4.746
  508    HA   VAL  68           HA       VAL  68  -7.468  -7.282  -6.900
  509    HB   VAL  68           HB       VAL  68  -5.776  -5.573  -6.200
  510   1HG1  VAL  68          1HG2      VAL  68  -3.521  -5.727  -6.783
  511   2HG1  VAL  68          2HG2      VAL  68  -3.805  -7.082  -7.881
  512   3HG1  VAL  68          3HG2      VAL  68  -3.894  -7.327  -6.138
  513   1HG2  VAL  68          1HG1      VAL  68  -6.524  -4.784  -8.144
  514   2HG2  VAL  68          2HG1      VAL  68  -6.585  -6.397  -8.854
  515   3HG2  VAL  68          3HG1      VAL  68  -5.080  -5.480  -8.878
  516    H    SER  69           H        SER  69  -4.794  -9.378  -6.129
  517    HA   SER  69           HA       SER  69  -4.568 -10.414  -8.825
  518   1HB   SER  69          1HB       SER  69  -2.512 -10.366  -7.652
  519   2HB   SER  69          2HB       SER  69  -3.227 -11.082  -6.208
  520    HG   SER  69           HG       SER  69  -1.931 -12.391  -7.934
  521    H    LYS  70           H        LYS  70  -5.911 -11.416  -5.726
  522    HA   LYS  70           HA       LYS  70  -7.177 -13.700  -7.091
  523   1HB   LYS  70          1HB       LYS  70  -5.885 -13.467  -4.424
  524   2HB   LYS  70          2HB       LYS  70  -7.323 -14.471  -4.531
  525   1HG   LYS  70          1HG       LYS  70  -6.231 -16.113  -5.566
  526   2HG   LYS  70          2HG       LYS  70  -5.416 -14.996  -6.664
  527   1HD   LYS  70          1HD       LYS  70  -4.103 -14.416  -4.405
  528   2HD   LYS  70          2HD       LYS  70  -4.528 -16.095  -4.064
  529   1HE   LYS  70          2HE       LYS  70  -3.637 -16.145  -6.685
  530   2HE   LYS  70          1HE       LYS  70  -2.549 -15.011  -5.886
  531   1HZ   LYS  70          1HZ       LYS  70  -2.390 -16.821  -4.106
  532   2HZ   LYS  70          2HZ       LYS  70  -1.532 -17.022  -5.543
  Start of MODEL    7
    1    H    VAL   7           H        VAL   7  17.611   3.378  -2.509
    2    HA   VAL   7           HA       VAL   7  16.440   2.230  -4.957
    3    HB   VAL   7           HB       VAL   7  15.480   0.470  -3.262
    4   1HG1  VAL   7          1HG1      VAL   7  18.349   0.014  -3.904
    5   2HG1  VAL   7          2HG1      VAL   7  17.226   0.313  -5.230
    6   3HG1  VAL   7          3HG1      VAL   7  16.957  -1.043  -4.135
    7   1HG2  VAL   7          1HG2      VAL   7  16.630   0.063  -1.327
    8   2HG2  VAL   7          2HG2      VAL   7  16.788   1.817  -1.408
    9   3HG2  VAL   7          3HG2      VAL   7  18.121   0.786  -1.929
   10    H    ARG   8           H        ARG   8  14.716   3.480  -5.348
   11    HA   ARG   8           HA       ARG   8  12.733   3.774  -3.213
   12   1HB   ARG   8          2HB       ARG   8  12.365   6.101  -3.695
   13   2HB   ARG   8          1HB       ARG   8  14.075   5.876  -3.354
   14   1HG   ARG   8          2HG       ARG   8  14.592   5.948  -5.712
   15   2HG   ARG   8          1HG       ARG   8  12.878   6.072  -6.108
   16   1HD   ARG   8          1HD       ARG   8  13.101   8.143  -4.417
   17   2HD   ARG   8          2HD       ARG   8  14.744   8.110  -5.059
   18   1HH1  ARG   8          2HH1      ARG   8  14.770  10.050  -5.171
   19   2HH1  ARG   8          1HH1      ARG   8  14.676  11.384  -6.271
   20   1HH2  ARG   8          1HH2      ARG   8  12.525   9.764  -8.504
   21   2HH2  ARG   8          2HH2      ARG   8  13.400  11.222  -8.167
   22    H    CYS   9           H        CYS   9  10.627   4.702  -4.216
   23    HA   CYS   9           HA       CYS   9   9.998   2.995  -6.461
   24   1HB   CYS   9          2HB       CYS   9   8.093   4.930  -5.168
   25   2HB   CYS   9          1HB       CYS   9   7.731   3.424  -6.008
   26    H    THR  10           H        THR  10   8.054   4.309  -7.781
   27    HA   THR  10           HA       THR  10   9.443   6.615  -8.971
   28    HB   THR  10           HB       THR  10   8.131   5.685 -11.093
   29    HG1  THR  10           HG1      THR  10   7.230   3.871 -10.434
   30   1HG2  THR  10          1HG2      THR  10  10.159   4.217 -11.593
   31   2HG2  THR  10          2HG2      THR  10  10.784   4.785 -10.044
   32   3HG2  THR  10          3HG2      THR  10  10.429   5.939 -11.331
   33    H    CYS  11           H        CYS  11   6.357   5.095  -8.214
   34    HA   CYS  11           HA       CYS  11   4.561   6.835  -9.342
   35   1HB   CYS  11          2HB       CYS  11   4.326   5.657  -6.565
   36   2HB   CYS  11          1HB       CYS  11   3.001   6.188  -7.596
   37    H    ILE  12           H        ILE  12   4.295   8.955  -9.217
   38    HA   ILE  12           HA       ILE  12   5.697  10.560  -7.333
   39    HB   ILE  12           HB       ILE  12   3.413  11.493  -9.058
   40   1HG1  ILE  12          1HG1      ILE  12   5.825  12.062 -10.365
   41   2HG1  ILE  12          2HG1      ILE  12   5.973  10.384  -9.854
   42   1HG2  ILE  12          1HG2      ILE  12   5.013  12.802  -7.212
   43   2HG2  ILE  12          2HG2      ILE  12   4.007  13.551  -8.451
   44   3HG2  ILE  12          3HG2      ILE  12   5.712  13.229  -8.773
   45   1HD1  ILE  12          1HD1      ILE  12   4.617   9.705 -11.463
   46   2HD1  ILE  12          2HD1      ILE  12   4.675  11.345 -12.111
   47   3HD1  ILE  12          3HD1      ILE  12   3.383  10.879 -11.006
   48    H    SER  13           H        SER  13   2.557   9.118  -7.386
   49    HA   SER  13           HA       SER  13   2.004  10.290  -4.764
   50   1HB   SER  13          2HB       SER  13   0.792  11.484  -6.763
   51   2HB   SER  13          1HB       SER  13  -0.258  10.068  -6.722
   52    HG   SER  13           HG       SER  13  -0.869  10.578  -4.666
   53    H    ILE  14           H        ILE  14   1.364   8.807  -3.342
   54    HA   ILE  14           HA       ILE  14   0.335   6.243  -4.374
   55    HB   ILE  14           HB       ILE  14   1.264   5.262  -2.218
   56   1HG1  ILE  14          1HG1      ILE  14   1.664   7.604  -1.245
   57   2HG1  ILE  14          2HG1      ILE  14   2.935   6.408  -1.013
   58   1HG2  ILE  14          1HG2      ILE  14   3.572   5.087  -3.181
   59   2HG2  ILE  14          2HG2      ILE  14   3.079   6.264  -4.400
   60   3HG2  ILE  14          3HG2      ILE  14   2.264   4.704  -4.299
   61   1HD1  ILE  14          1HD1      ILE  14   3.272   8.951  -1.964
   62   2HD1  ILE  14          2HD1      ILE  14   3.288   7.976  -3.435
   63   3HD1  ILE  14          3HD1      ILE  14   4.421   7.624  -2.130
   64    H    SER  15           H        SER  15  -0.944   5.023  -2.652
   65    HA   SER  15           HA       SER  15  -2.861   6.904  -1.510
   66   1HB   SER  15          2HB       SER  15  -3.945   5.277  -2.836
   67   2HB   SER  15          1HB       SER  15  -2.997   3.960  -2.148
   68    HG   SER  15           HG       SER  15  -5.211   5.301  -1.108
   69    H    ASN  16           H        ASN  16  -2.303   3.659  -0.248
   70    HA   ASN  16           HA       ASN  16  -2.118   2.960   1.922
   71   1HB   ASN  16          1HB       ASN  16  -0.036   3.518   2.948
   72   2HB   ASN  16          2HB       ASN  16   0.240   3.499   1.210
   73   1HD2  ASN  16          2HD2      ASN  16   0.033   5.458   4.058
   74   2HD2  ASN  16          1HD2      ASN  16   0.691   6.898   3.364
   75    H    GLN  17           H        GLN  17  -3.965   5.172   1.465
   76    HA   GLN  17           HA       GLN  17  -3.869   6.497   4.092
   77   1HB   GLN  17          2HB       GLN  17  -4.672   8.426   3.161
   78   2HB   GLN  17          1HB       GLN  17  -3.835   7.774   1.767
   79   1HG   GLN  17          1HG       GLN  17  -6.168   6.698   1.250
   80   2HG   GLN  17          2HG       GLN  17  -6.752   8.012   2.270
   81   1HE2  GLN  17          1HE2      GLN  17  -5.037   7.212  -0.667
   82   2HE2  GLN  17          2HE2      GLN  17  -5.241   8.746  -1.436
   83    HA   PRO  18           HA       PRO  18  -7.740   5.125   5.700
   84   1HB   PRO  18          2HB       PRO  18  -9.141   7.416   4.365
   85   2HB   PRO  18          1HB       PRO  18  -9.355   6.770   5.999
   86   1HG   PRO  18          1HG       PRO  18  -7.897   8.957   5.602
   87   2HG   PRO  18          2HG       PRO  18  -7.390   7.733   6.778
   88   1HD   PRO  18          2HD       PRO  18  -6.275   8.374   4.113
   89   2HD   PRO  18          1HD       PRO  18  -5.469   7.685   5.532
   90    H    VAL  19           H        VAL  19  -7.737   6.071   2.307
   91    HA   VAL  19           HA       VAL  19  -9.855   4.126   1.773
   92    HB   VAL  19           HB       VAL  19  -9.507   5.058  -0.657
   93   1HG1  VAL  19          1HG2      VAL  19 -10.933   6.383   1.622
   94   2HG1  VAL  19          2HG2      VAL  19 -11.590   5.357   0.344
   95   3HG1  VAL  19          3HG2      VAL  19 -11.061   7.000  -0.026
   96   1HG2  VAL  19          1HG1      VAL  19  -7.504   6.361  -0.118
   97   2HG2  VAL  19          2HG1      VAL  19  -8.447   7.336   1.010
   98   3HG2  VAL  19          3HG1      VAL  19  -8.808   7.386  -0.714
   99    H    ASN  20           H        ASN  20  -8.093   2.643   2.523
  100    HA   ASN  20           HA       ASN  20  -6.021   1.814   0.815
  101   1HB   ASN  20          1HB       ASN  20  -7.586   0.710   3.056
  102   2HB   ASN  20          2HB       ASN  20  -6.905  -0.475   1.968
  103   1HD2  ASN  20          2HD2      ASN  20  -4.506   0.725   1.287
  104   2HD2  ASN  20          1HD2      ASN  20  -3.515   0.862   2.692
  105    HA   PRO  21           HA       PRO  21  -7.590  -0.337  -2.630
  106   1HB   PRO  21          1HB       PRO  21  -7.158  -2.956  -1.281
  107   2HB   PRO  21          2HB       PRO  21  -6.731  -2.437  -2.933
  108   1HG   PRO  21          2HG       PRO  21  -4.920  -2.481  -0.908
  109   2HG   PRO  21          1HG       PRO  21  -4.873  -1.285  -2.204
  110   1HD   PRO  21          2HD       PRO  21  -5.521  -0.924   0.627
  111   2HD   PRO  21          1HD       PRO  21  -5.039   0.264  -0.590
  112    H    ARG  22           H        ARG  22  -9.179  -0.970   0.436
  113    HA   ARG  22           HA       ARG  22 -11.338  -2.551  -0.190
  114   1HB   ARG  22          2HB       ARG  22 -10.955  -1.200   1.944
  115   2HB   ARG  22          1HB       ARG  22 -11.665   0.165   1.095
  116   1HG   ARG  22          2HG       ARG  22 -13.756  -0.966   0.878
  117   2HG   ARG  22          1HG       ARG  22 -13.065  -2.466   1.497
  118   1HD   ARG  22          2HD       ARG  22 -14.459  -1.005   3.093
  119   2HD   ARG  22          1HD       ARG  22 -12.925  -1.657   3.669
  120   1HH1  ARG  22          1HH2      ARG  22 -14.360  -0.433   5.164
  121   2HH1  ARG  22          2HH2      ARG  22 -14.236   0.996   6.135
  122   1HH2  ARG  22          2HH1      ARG  22 -12.180   2.702   3.878
  123   2HH2  ARG  22          1HH1      ARG  22 -12.997   2.779   5.404
  124    H    SER  23           H        SER  23 -10.503   0.614  -1.288
  125    HA   SER  23           HA       SER  23 -12.643   0.670  -3.285
  126   1HB   SER  23          1HB       SER  23 -10.504   2.743  -2.683
  127   2HB   SER  23          2HB       SER  23 -11.913   2.959  -3.715
  128    HG   SER  23           HG       SER  23 -11.707   3.028  -0.964
  129    H    LEU  24           H        LEU  24 -12.069  -0.662  -4.924
  130    HA   LEU  24           HA       LEU  24  -9.374  -0.430  -6.105
  131   1HB   LEU  24          2HB       LEU  24  -9.197  -2.226  -4.446
  132   2HB   LEU  24          1HB       LEU  24 -10.543  -3.065  -5.171
  133    HG   LEU  24           HG       LEU  24  -8.846  -4.325  -5.978
  134   1HD1  LEU  24          1HD1      LEU  24  -8.533  -2.148  -8.012
  135   2HD1  LEU  24          2HD1      LEU  24  -9.880  -3.285  -7.979
  136   3HD1  LEU  24          3HD1      LEU  24  -8.236  -3.868  -8.214
  137   1HD2  LEU  24          1HD2      LEU  24  -6.866  -3.751  -5.150
  138   2HD2  LEU  24          2HD2      LEU  24  -7.215  -2.025  -5.271
  139   3HD2  LEU  24          3HD2      LEU  24  -6.617  -2.906  -6.678
  140    H    GLU  25           H        GLU  25  -9.456  -0.506  -8.314
  141    HA   GLU  25           HA       GLU  25 -11.810  -1.746  -9.567
  142   1HB   GLU  25          1HB       GLU  25 -12.057   0.833  -9.228
  143   2HB   GLU  25          2HB       GLU  25 -10.974   0.941 -10.599
  144   1HG   GLU  25          1HG       GLU  25 -12.500  -0.016 -12.047
  145   2HG   GLU  25          2HG       GLU  25 -13.426  -0.753 -10.741
  146    H    LYS  26           H        LYS  26  -9.231   0.353 -10.843
  147    HA   LYS  26           HA       LYS  26  -8.518  -1.834 -12.672
  148   1HB   LYS  26          2HB       LYS  26  -7.606   0.968 -13.154
  149   2HB   LYS  26          1HB       LYS  26  -7.988  -0.297 -14.314
  150   1HG   LYS  26          2HG       LYS  26 -10.126   1.004 -12.662
  151   2HG   LYS  26          1HG       LYS  26  -9.552   1.716 -14.173
  152   1HD   LYS  26          1HD       LYS  26 -10.547  -1.117 -13.959
  153   2HD   LYS  26          2HD       LYS  26 -11.589   0.248 -14.367
  154   1HE   LYS  26          2HE       LYS  26  -9.120   0.080 -15.941
  155   2HE   LYS  26          1HE       LYS  26 -10.231  -1.268 -16.175
  156   1HZ   LYS  26          1HZ       LYS  26 -10.865   1.608 -16.494
  157   2HZ   LYS  26          2HZ       LYS  26 -11.990   0.361 -16.622
  158   1HN   MLE  27          1HM       LEM  27  -8.150  -3.069 -10.427
  159   2HN   MLE  27          2HM       LEM  27  -6.683  -4.015 -10.670
  160   3HN   MLE  27          3HM       LEM  27  -7.569  -3.393 -12.060
  161    HA   MLE  27           HA       LEM  27  -4.811  -1.144 -10.390
  162   1HB   MLE  27          1HB       LEM  27  -4.997  -3.401  -8.643
  163   2HB   MLE  27          2HB       LEM  27  -6.545  -2.587  -8.697
  164    HG   MLE  27           HG       LEM  27  -4.284  -0.775  -8.399
  165   1HD1  MLE  27          1HD1      LEM  27  -6.212   0.311  -7.945
  166   2HD1  MLE  27          2HD1      LEM  27  -5.890  -0.297  -6.320
  167   3HD1  MLE  27          3HD1      LEM  27  -7.023  -1.141  -7.372
  168   1HD2  MLE  27          1HD2      LEM  27  -3.332  -1.529  -6.522
  169   2HD2  MLE  27          2HD2      LEM  27  -3.913  -3.095  -7.080
  170   3HD2  MLE  27          3HD2      LEM  27  -4.847  -2.184  -5.900
  171    H    GLU  28           H        GLU  28  -3.438  -1.620 -11.988
  172    HA   GLU  28           HA       GLU  28  -2.906  -4.398 -12.693
  173   1HB   GLU  28          2HB       GLU  28  -3.007  -2.892 -14.558
  174   2HB   GLU  28          1HB       GLU  28  -1.897  -1.772 -13.784
  175   1HG   GLU  28          1HG       GLU  28  -0.991  -3.189 -15.652
  176   2HG   GLU  28          2HG       GLU  28  -0.063  -3.168 -14.152
  177    H    ILE  29           H        ILE  29  -1.631  -5.459 -11.298
  178    HA   ILE  29           HA       ILE  29   0.358  -4.023  -9.775
  179    HB   ILE  29           HB       ILE  29   0.611  -5.997  -8.465
  180   1HG1  ILE  29          1HG1      ILE  29  -0.984  -7.995  -9.249
  181   2HG1  ILE  29          2HG1      ILE  29  -0.613  -7.323 -10.836
  182   1HG2  ILE  29          1HG2      ILE  29  -1.271  -4.985  -7.669
  183   2HG2  ILE  29          2HG2      ILE  29  -1.945  -6.550  -8.119
  184   3HG2  ILE  29          3HG2      ILE  29  -2.148  -5.160  -9.191
  185   1HD1  ILE  29          1HD1      ILE  29   1.175  -8.645 -10.770
  186   2HD1  ILE  29          2HD1      ILE  29   1.047  -8.885  -9.027
  187   3HD1  ILE  29          3HD1      ILE  29   1.852  -7.451  -9.663
  188    H    ILE  30           H        ILE  30   2.514  -4.265  -9.807
  189    HA   ILE  30           HA       ILE  30   3.732  -6.090 -11.759
  190    HB   ILE  30           HB       ILE  30   5.232  -3.592 -11.443
  191   1HG1  ILE  30          1HG1      ILE  30   2.659  -3.500 -13.041
  192   2HG1  ILE  30          2HG1      ILE  30   2.907  -2.679 -11.506
  193   1HG2  ILE  30          1HG2      ILE  30   4.669  -4.162 -14.139
  194   2HG2  ILE  30          2HG2      ILE  30   4.876  -5.711 -13.326
  195   3HG2  ILE  30          3HG2      ILE  30   6.151  -4.495 -13.245
  196   1HD1  ILE  30          1HD1      ILE  30   3.291  -0.998 -13.014
  197   2HD1  ILE  30          2HD1      ILE  30   4.066  -2.075 -14.177
  198   3HD1  ILE  30          3HD1      ILE  30   4.926  -1.591 -12.715
  199    HA   PRO  31           HA       PRO  31   6.420  -6.783  -8.311
  200   1HB   PRO  31          2HB       PRO  31   8.370  -8.180  -9.496
  201   2HB   PRO  31          1HB       PRO  31   6.711  -8.783  -9.438
  202   1HG   PRO  31          2HG       PRO  31   8.232  -7.656 -11.713
  203   2HG   PRO  31          1HG       PRO  31   6.889  -8.807 -11.719
  204   1HD   PRO  31          1HD       PRO  31   6.788  -5.983 -12.179
  205   2HD   PRO  31          2HD       PRO  31   5.433  -7.129 -12.141
  206    H    ALA  32           H        ALA  32   7.275  -4.881  -7.501
  207    HA   ALA  32           HA       ALA  32   9.539  -3.634  -8.841
  208   1HB   ALA  32          1HB       ALA  32   7.928  -2.125  -7.883
  209   2HB   ALA  32          2HB       ALA  32   9.437  -2.001  -6.972
  210   3HB   ALA  32          3HB       ALA  32   8.077  -2.905  -6.308
  211    H    SER  33           H        SER  33  11.629  -3.585  -8.026
  212    HA   SER  33           HA       SER  33  12.286  -4.783  -5.504
  213   1HB   SER  33          1HB       SER  33  11.906  -6.736  -7.125
  214   2HB   SER  33          2HB       SER  33  13.380  -6.200  -7.930
  215    HG   SER  33           HG       SER  33  14.539  -6.646  -6.116
  216    H    GLN  34           H        GLN  34  13.772  -4.184  -8.695
  217    HA   GLN  34           HA       GLN  34  16.273  -3.413  -7.661
  218   1HB   GLN  34          1HB       GLN  34  16.771  -2.624  -9.898
  219   2HB   GLN  34          2HB       GLN  34  15.909  -4.153  -9.990
  220   1HG   GLN  34          2HG       GLN  34  13.864  -3.017 -10.562
  221   2HG   GLN  34          1HG       GLN  34  14.640  -1.447 -10.345
  222   1HE2  GLN  34          1HE2      GLN  34  13.645  -1.386 -12.607
  223   2HE2  GLN  34          2HE2      GLN  34  14.700  -1.825 -13.904
  224    H    PHE  35           H        PHE  35  13.300  -1.707  -7.890
  225    HA   PHE  35           HA       PHE  35  14.702   0.816  -7.302
  226   1HB   PHE  35          1HB       PHE  35  12.733   0.223  -9.269
  227   2HB   PHE  35          2HB       PHE  35  11.998   1.300  -8.086
  228    HD1  PHE  35           HD1      PHE  35  12.995   1.610 -11.120
  229    HD2  PHE  35           HD2      PHE  35  14.384   2.903  -7.312
  230    HE1  PHE  35           HE1      PHE  35  14.106   3.532 -12.182
  231    HE2  PHE  35           HE2      PHE  35  15.497   4.826  -8.367
  232    HZ   PHE  35           HZ       PHE  35  15.359   5.143 -10.805
  233    H    CYS  36           H        CYS  36  11.750  -1.044  -6.611
  234    HA   CYS  36           HA       CYS  36  11.827  -0.139  -3.853
  235   1HB   CYS  36          1HB       CYS  36  10.225   1.211  -5.715
  236   2HB   CYS  36          2HB       CYS  36   9.122   0.173  -4.823
  237    HA   PRO  37           HA       PRO  37  10.768  -4.664  -4.273
  238   1HB   PRO  37          1HB       PRO  37  11.250  -4.946  -1.527
  239   2HB   PRO  37          2HB       PRO  37  12.382  -5.315  -2.832
  240   1HG   PRO  37          2HG       PRO  37  12.120  -2.832  -1.192
  241   2HG   PRO  37          1HG       PRO  37  13.589  -3.659  -1.741
  242   1HD   PRO  37          1HD       PRO  37  12.802  -1.459  -2.947
  243   2HD   PRO  37          2HD       PRO  37  13.358  -2.835  -3.925
  244    H    ARG  38           H        ARG  38   8.573  -3.864  -4.632
  245    HA   ARG  38           HA       ARG  38   6.809  -4.612  -2.509
  246   1HB   ARG  38          1HB       ARG  38   7.538  -1.899  -2.614
  247   2HB   ARG  38          2HB       ARG  38   5.935  -1.979  -3.328
  248   1HG   ARG  38          2HG       ARG  38   5.522  -1.609  -1.075
  249   2HG   ARG  38          1HG       ARG  38   5.298  -3.351  -1.256
  250   1HD   ARG  38          1HD       ARG  38   7.190  -3.859  -0.087
  251   2HD   ARG  38          2HD       ARG  38   8.010  -2.369  -0.555
  252   1HH1  ARG  38          1HH2      ARG  38   9.175  -2.691   1.040
  253   2HH1  ARG  38          2HH2      ARG  38   9.509  -2.100   2.633
  254   1HH2  ARG  38          1HH1      ARG  38   6.204  -1.169   3.295
  255   2HH2  ARG  38          2HH1      ARG  38   7.819  -1.235   3.915
  256    H    VAL  39           H        VAL  39   4.505  -3.261  -3.559
  257    HA   VAL  39           HA       VAL  39   4.271  -4.694  -6.101
  258    HB   VAL  39           HB       VAL  39   1.878  -3.444  -4.823
  259   1HG1  VAL  39          1HG2      VAL  39   0.794  -4.703  -6.297
  260   2HG1  VAL  39          2HG2      VAL  39   1.668  -6.155  -5.807
  261   3HG1  VAL  39          3HG2      VAL  39   2.361  -5.076  -7.018
  262   1HG2  VAL  39          1HG1      VAL  39   3.101  -6.056  -3.910
  263   2HG2  VAL  39          2HG1      VAL  39   1.537  -5.411  -3.413
  264   3HG2  VAL  39          3HG1      VAL  39   3.019  -4.573  -2.959
  265    H    GLU  40           H        GLU  40   4.482  -3.573  -7.910
  266    HA   GLU  40           HA       GLU  40   4.187  -0.670  -7.887
  267   1HB   GLU  40          1HB       GLU  40   5.435  -2.676  -9.674
  268   2HB   GLU  40          2HB       GLU  40   4.639  -1.341 -10.500
  269   1HG   GLU  40          1HG       GLU  40   6.529  -0.763  -8.274
  270   2HG   GLU  40          2HG       GLU  40   7.150  -1.183  -9.869
  271    H    ILE  41           H        ILE  41   2.296   0.297  -8.510
  272    HA   ILE  41           HA       ILE  41   0.465  -1.277 -10.132
  273    HB   ILE  41           HB       ILE  41   0.112  -1.942  -7.794
  274   1HG1  ILE  41          2HG1      ILE  41  -2.435  -0.803  -8.055
  275   2HG1  ILE  41          1HG1      ILE  41  -1.828  -0.998  -9.696
  276   1HG2  ILE  41          1HG2      ILE  41   0.315   0.793  -7.293
  277   2HG2  ILE  41          2HG2      ILE  41  -0.033  -0.487  -6.135
  278   3HG2  ILE  41          3HG2      ILE  41  -1.355   0.361  -6.936
  279   1HD1  ILE  41          1HD1      ILE  41  -1.434  -3.345  -9.300
  280   2HD1  ILE  41          2HD1      ILE  41  -3.106  -2.937  -8.924
  281   3HD1  ILE  41          3HD1      ILE  41  -1.945  -3.170  -7.622
  282    H    ILE  42           H        ILE  42  -0.939  -0.236 -11.298
  283    HA   ILE  42           HA       ILE  42  -1.207   2.673 -10.975
  284    HB   ILE  42           HB       ILE  42  -2.231   1.085 -13.319
  285   1HG1  ILE  42          2HG1      ILE  42   0.419   2.548 -13.153
  286   2HG1  ILE  42          1HG1      ILE  42   0.244   0.795 -13.099
  287   1HG2  ILE  42          1HG2      ILE  42  -3.179   3.060 -13.735
  288   2HG2  ILE  42          2HG2      ILE  42  -1.559   3.678 -14.065
  289   3HG2  ILE  42          3HG2      ILE  42  -2.259   3.847 -12.450
  290   1HD1  ILE  42          1HD1      ILE  42   0.588   0.913 -15.296
  291   2HD1  ILE  42          2HD1      ILE  42   0.168   2.624 -15.372
  292   3HD1  ILE  42          3HD1      ILE  42  -1.104   1.402 -15.377
  293    H    ALA  43           H        ALA  43  -2.579   2.535  -9.234
  294    HA   ALA  43           HA       ALA  43  -4.846   0.767  -9.338
  295   1HB   ALA  43          1HB       ALA  43  -5.165   1.632  -6.974
  296   2HB   ALA  43          2HB       ALA  43  -3.660   2.514  -7.214
  297   3HB   ALA  43          3HB       ALA  43  -3.672   0.753  -7.305
  298    H    THR  44           H        THR  44  -6.661   1.315 -10.196
  299    HA   THR  44           HA       THR  44  -7.712   4.028  -9.741
  300    HB   THR  44           HB       THR  44  -8.588   1.980 -11.792
  301    HG1  THR  44           HG1      THR  44  -6.782   2.935 -12.566
  302   1HG2  THR  44          1HG2      THR  44 -10.370   3.208 -12.321
  303   2HG2  THR  44          2HG2      THR  44  -9.521   4.733 -12.065
  304   3HG2  THR  44          3HG2      THR  44 -10.200   3.860 -10.689
  305    H    MET  45           H        MET  45  -9.079   4.061  -8.058
  306    HA   MET  45           HA       MET  45  -9.940   1.547  -6.979
  307   1HB   MET  45          2HB       MET  45 -10.415   4.332  -5.933
  308   2HB   MET  45          1HB       MET  45 -10.642   2.837  -5.055
  309   1HG   MET  45          1HG       MET  45  -8.158   4.289  -5.687
  310   2HG   MET  45          2HG       MET  45  -8.651   3.456  -4.216
  311   1HE   MET  45          1HE       MET  45  -5.643   2.798  -4.656
  312   2HE   MET  45          2HE       MET  45  -5.856   1.065  -4.398
  313   3HE   MET  45          3HE       MET  45  -6.846   2.218  -3.502
  314    H    LYS  46           H        LYS  46 -11.884   0.772  -6.663
  315    HA   LYS  46           HA       LYS  46 -14.166   2.069  -7.959
  316   1HB   LYS  46          1HB       LYS  46 -13.450  -0.351  -8.567
  317   2HB   LYS  46          2HB       LYS  46 -14.093  -0.786  -6.991
  318   1HG   LYS  46          2HG       LYS  46 -15.858   0.811  -8.735
  319   2HG   LYS  46          1HG       LYS  46 -15.537  -0.850  -9.234
  320   1HD   LYS  46          2HD       LYS  46 -16.177  -0.494  -6.383
  321   2HD   LYS  46          1HD       LYS  46 -17.492  -0.132  -7.504
  322   1HE   LYS  46          2HE       LYS  46 -17.856  -2.295  -7.858
  323   2HE   LYS  46          1HE       LYS  46 -16.168  -2.547  -8.302
  324   1HZ   LYS  46          1HZ       LYS  46 -15.788  -2.519  -5.780
  325   2HZ   LYS  46          2HZ       LYS  46 -16.414  -3.908  -6.497
  326    H    LYS  47           H        LYS  47 -15.185   3.242  -6.563
  327    HA   LYS  47           HA       LYS  47 -16.622   2.604  -4.365
  328   1HB   LYS  47          1HB       LYS  47 -13.758   2.821  -3.732
  329   2HB   LYS  47          2HB       LYS  47 -14.849   3.656  -2.661
  330   1HG   LYS  47          2HG       LYS  47 -15.469   0.828  -3.263
  331   2HG   LYS  47          1HG       LYS  47 -14.123   1.183  -2.176
  332   1HD   LYS  47          2HD       LYS  47 -16.004   0.949  -0.785
  333   2HD   LYS  47          1HD       LYS  47 -15.734   2.688  -0.919
  334   1HE   LYS  47          1HE       LYS  47 -17.581   3.008  -2.262
  335   2HE   LYS  47          2HE       LYS  47 -17.586   1.340  -2.832
  336   1HZ   LYS  47          1HZ       LYS  47 -19.215   1.056  -1.376
  337   2HZ   LYS  47          2HZ       LYS  47 -18.017   1.064  -0.191
  338    H    LYS  48           H        LYS  48 -14.163   4.710  -5.538
  339    HA   LYS  48           HA       LYS  48 -15.940   6.968  -5.339
  340   1HB   LYS  48          2HB       LYS  48 -15.005   7.552  -3.413
  341   2HB   LYS  48          1HB       LYS  48 -13.727   6.364  -3.610
  342   1HG   LYS  48          2HG       LYS  48 -12.415   7.947  -4.882
  343   2HG   LYS  48          1HG       LYS  48 -13.757   9.094  -4.873
  344   1HD   LYS  48          1HD       LYS  48 -13.584   9.013  -2.327
  345   2HD   LYS  48          2HD       LYS  48 -12.022   8.230  -2.578
  346   1HE   LYS  48          2HE       LYS  48 -11.228  10.331  -2.584
  347   2HE   LYS  48          1HE       LYS  48 -11.807  10.352  -4.250
  348   1HZ   LYS  48          1HZ       LYS  48 -13.515  11.697  -3.741
  349   2HZ   LYS  48          2HZ       LYS  48 -13.749  11.041  -2.207
  350    H    GLY  49           H        GLY  49 -14.342   5.210  -7.387
  351   1HA   GLY  49          1HA       GLY  49 -13.191   5.515  -9.354
  352   2HA   GLY  49          2HA       GLY  49 -14.215   6.937  -9.487
  353    H    GLU  50           H        GLU  50 -11.200   5.827  -7.958
  354    HA   GLU  50           HA       GLU  50 -10.066   8.475  -8.588
  355   1HB   GLU  50          2HB       GLU  50  -8.832   8.467  -6.499
  356   2HB   GLU  50          1HB       GLU  50 -10.555   8.311  -6.179
  357   1HG   GLU  50          2HG       GLU  50 -10.310   6.328  -5.200
  358   2HG   GLU  50          1HG       GLU  50  -9.195   5.750  -6.437
  359    H    LYS  51           H        LYS  51  -8.078   8.516  -9.490
  360    HA   LYS  51           HA       LYS  51  -6.835   5.919 -10.070
  361   1HB   LYS  51          1HB       LYS  51  -6.648   8.613 -11.416
  362   2HB   LYS  51          2HB       LYS  51  -5.558   7.289 -11.802
  363   1HG   LYS  51          1HG       LYS  51  -7.292   5.973 -12.683
  364   2HG   LYS  51          2HG       LYS  51  -8.539   6.995 -11.966
  365   1HD   LYS  51          1HD       LYS  51  -8.647   7.970 -13.978
  366   2HD   LYS  51          2HD       LYS  51  -7.145   8.773 -13.515
  367   1HE   LYS  51          2HE       LYS  51  -5.950   6.747 -14.485
  368   2HE   LYS  51          1HE       LYS  51  -7.501   6.309 -15.199
  369   1HZ   LYS  51          1HZ       LYS  51  -5.636   8.353 -15.969
  370   2HZ   LYS  51          2HZ       LYS  51  -7.223   8.910 -15.874
  371    H    ARG  52           H        ARG  52  -5.029   5.360  -9.048
  372    HA   ARG  52           HA       ARG  52  -3.094   7.372  -8.247
  373   1HB   ARG  52          1HB       ARG  52  -4.905   6.915  -6.406
  374   2HB   ARG  52          2HB       ARG  52  -3.990   5.437  -6.141
  375   1HG   ARG  52          1HG       ARG  52  -3.146   6.987  -4.595
  376   2HG   ARG  52          2HG       ARG  52  -1.946   6.915  -5.888
  377   1HD   ARG  52          2HD       ARG  52  -2.176   9.196  -5.478
  378   2HD   ARG  52          1HD       ARG  52  -3.199   8.920  -6.888
  379   1HH1  ARG  52          2HH2      ARG  52  -2.668  11.134  -5.755
  380   2HH1  ARG  52          1HH2      ARG  52  -3.601  12.417  -5.060
  381   1HH2  ARG  52          2HH1      ARG  52  -6.140  10.318  -3.884
  382   2HH2  ARG  52          1HH1      ARG  52  -5.577  11.953  -3.993
  383    H    CYS  53           H        CYS  53  -1.024   6.576  -7.932
  384    HA   CYS  53           HA       CYS  53  -0.604   3.774  -8.740
  385   1HB   CYS  53          2HB       CYS  53   0.525   5.514 -10.117
  386   2HB   CYS  53          1HB       CYS  53   1.381   6.067  -8.679
  387    H    LEU  54           H        LEU  54  -0.561   2.541  -6.971
  388    HA   LEU  54           HA       LEU  54   0.577   3.620  -4.513
  389   1HB   LEU  54          2HB       LEU  54  -0.759   0.963  -4.633
  390   2HB   LEU  54          1HB       LEU  54  -0.740   2.145  -3.340
  391    HG   LEU  54           HG       LEU  54  -2.446   2.089  -5.802
  392   1HD1  LEU  54          1HD2      LEU  54  -2.791   1.570  -3.004
  393   2HD1  LEU  54          2HD2      LEU  54  -3.915   1.314  -4.337
  394   3HD1  LEU  54          3HD2      LEU  54  -3.857   2.876  -3.521
  395   1HD2  LEU  54          1HD1      LEU  54  -2.200   4.300  -6.003
  396   2HD2  LEU  54          2HD1      LEU  54  -1.388   4.443  -4.446
  397   3HD2  LEU  54          3HD1      LEU  54  -3.150   4.404  -4.522
  398    H    ASN  55           H        ASN  55   1.748   2.172  -3.073
  399    HA   ASN  55           HA       ASN  55   3.319   0.088  -4.333
  400   1HB   ASN  55          2HB       ASN  55   4.517   2.414  -4.479
  401   2HB   ASN  55          1HB       ASN  55   4.800   2.177  -2.757
  402   1HD2  ASN  55          1HD2      ASN  55   5.470   0.996  -5.962
  403   2HD2  ASN  55          2HD2      ASN  55   6.830   0.020  -5.534
  404    HA   PRO  56           HA       PRO  56   1.038  -1.003  -0.409
  405   1HB   PRO  56          2HB       PRO  56   2.651  -3.278  -1.553
  406   2HB   PRO  56          1HB       PRO  56   1.176  -3.375  -0.581
  407   1HG   PRO  56          1HG       PRO  56   0.977  -3.385  -3.219
  408   2HG   PRO  56          2HG       PRO  56  -0.143  -2.407  -2.266
  409   1HD   PRO  56          1HD       PRO  56   2.066  -1.540  -4.021
  410   2HD   PRO  56          2HD       PRO  56   0.657  -0.625  -3.446
  411    H    GLU  57           H        GLU  57   2.150   0.284   0.982
  412    HA   GLU  57           HA       GLU  57   4.270  -1.081   2.448
  413   1HB   GLU  57          2HB       GLU  57   5.177   1.314   2.933
  414   2HB   GLU  57          1HB       GLU  57   5.628   0.524   1.429
  415   1HG   GLU  57          2HG       GLU  57   3.325   1.857   0.745
  416   2HG   GLU  57          1HG       GLU  57   4.101   2.958   1.879
  417    H    SER  58           H        SER  58   1.838  -1.447   3.198
  418    HA   SER  58           HA       SER  58   1.459   0.032   5.630
  419   1HB   SER  58          2HB       SER  58  -0.067   0.692   3.210
  420   2HB   SER  58          1HB       SER  58  -1.092   0.304   4.585
  421    HG   SER  58           HG       SER  58  -0.660   2.227   5.276
  422    H    LYS  59           H        LYS  59  -1.150  -0.667   6.222
  423    HA   LYS  59           HA       LYS  59  -0.887  -3.510   6.612
  424   1HB   LYS  59          1HB       LYS  59  -2.979  -1.566   7.538
  425   2HB   LYS  59          2HB       LYS  59  -2.921  -3.258   7.990
  426   1HG   LYS  59          2HG       LYS  59  -0.902  -2.960   9.192
  427   2HG   LYS  59          1HG       LYS  59  -0.675  -1.339   8.530
  428   1HD   LYS  59          2HD       LYS  59  -2.717  -0.604   9.700
  429   2HD   LYS  59          1HD       LYS  59  -2.870  -2.213  10.407
  430   1HE   LYS  59          1HE       LYS  59  -0.230  -1.305  10.888
  431   2HE   LYS  59          2HE       LYS  59  -1.333  -0.001  11.324
  432   1HZ   LYS  59          1HZ       LYS  59  -1.577  -2.795  12.279
  433   2HZ   LYS  59          2HZ       LYS  59  -0.849  -1.552  13.154
  434    H    ALA  60           H        ALA  60  -3.927  -1.824   5.878
  435    HA   ALA  60           HA       ALA  60  -5.091  -3.962   4.520
  436   1HB   ALA  60          1HB       ALA  60  -6.833  -2.610   4.739
  437   2HB   ALA  60          2HB       ALA  60  -6.191  -1.609   3.437
  438   3HB   ALA  60          3HB       ALA  60  -5.771  -1.252   5.112
  439    H    ILE  61           H        ILE  61  -2.766  -1.663   3.475
  440    HA   ILE  61           HA       ILE  61  -3.151  -1.607   0.728
  441    HB   ILE  61           HB       ILE  61  -1.309  -0.619   2.508
  442   1HG1  ILE  61          1HG1      ILE  61  -1.852   0.708   0.700
  443   2HG1  ILE  61          2HG1      ILE  61  -0.176   0.299   0.376
  444   1HG2  ILE  61          1HG2      ILE  61   0.914  -1.215   1.531
  445   2HG2  ILE  61          2HG2      ILE  61   0.137  -2.609   0.800
  446   3HG2  ILE  61          3HG2      ILE  61   0.170  -2.439   2.555
  447   1HD1  ILE  61          1HD1      ILE  61  -1.422  -1.694  -0.936
  448   2HD1  ILE  61          2HD1      ILE  61  -0.938  -0.166  -1.669
  449   3HD1  ILE  61          3HD1      ILE  61  -2.597  -0.390  -1.112
  450    H    LYS  62           H        LYS  62  -1.802  -4.071   2.831
  451    HA   LYS  62           HA       LYS  62  -0.642  -5.790   0.940
  452   1HB   LYS  62          2HB       LYS  62  -0.927  -5.866   3.633
  453   2HB   LYS  62          1HB       LYS  62  -2.154  -7.035   3.165
  454   1HG   LYS  62          2HG       LYS  62  -0.554  -8.557   3.041
  455   2HG   LYS  62          1HG       LYS  62   0.095  -7.688   1.649
  456   1HD   LYS  62          1HD       LYS  62   0.952  -6.298   3.945
  457   2HD   LYS  62          2HD       LYS  62   1.226  -8.014   4.257
  458   1HE   LYS  62          2HE       LYS  62   2.608  -8.246   2.372
  459   2HE   LYS  62          1HE       LYS  62   2.071  -6.713   1.687
  460   1HZ   LYS  62          1HZ       LYS  62   3.941  -5.931   2.571
  461   2HZ   LYS  62          2HZ       LYS  62   4.137  -7.242   3.611
  462    H    ASN  63           H        ASN  63  -3.922  -5.117   1.863
  463    HA   ASN  63           HA       ASN  63  -5.179  -7.274   0.508
  464   1HB   ASN  63          2HB       ASN  63  -6.056  -5.396   2.255
  465   2HB   ASN  63          1HB       ASN  63  -6.633  -4.702   0.741
  466   1HD2  ASN  63          1HD2      ASN  63  -8.763  -5.053   1.533
  467   2HD2  ASN  63          2HD2      ASN  63  -9.486  -6.618   1.434
  468    H    LEU  64           H        LEU  64  -3.884  -4.188  -0.432
  469    HA   LEU  64           HA       LEU  64  -5.120  -3.652  -2.831
  470   1HB   LEU  64          2HB       LEU  64  -3.237  -2.260  -1.962
  471   2HB   LEU  64          1HB       LEU  64  -2.127  -3.540  -2.388
  472    HG   LEU  64           HG       LEU  64  -3.449  -3.115  -4.747
  473   1HD1  LEU  64          1HD1      LEU  64  -3.007  -0.522  -4.931
  474   2HD1  LEU  64          2HD1      LEU  64  -3.362  -0.572  -3.206
  475   3HD1  LEU  64          3HD1      LEU  64  -4.560  -1.147  -4.371
  476   1HD2  LEU  64          1HD2      LEU  64  -0.974  -1.544  -4.255
  477   2HD2  LEU  64          2HD2      LEU  64  -1.387  -2.633  -5.581
  478   3HD2  LEU  64          3HD2      LEU  64  -0.897  -3.291  -4.020
  479    H    LEU  65           H        LEU  65  -2.106  -5.453  -2.533
  480    HA   LEU  65           HA       LEU  65  -2.373  -6.484  -5.199
  481   1HB   LEU  65          2HB       LEU  65  -0.179  -6.016  -4.417
  482   2HB   LEU  65          1HB       LEU  65  -0.404  -6.991  -2.978
  483    HG   LEU  65           HG       LEU  65  -0.473  -9.022  -4.412
  484   1HD1  LEU  65          1HD2      LEU  65   0.727  -7.609  -6.693
  485   2HD1  LEU  65          2HD2      LEU  65  -1.001  -7.339  -6.460
  486   3HD1  LEU  65          3HD2      LEU  65  -0.383  -8.979  -6.659
  487   1HD2  LEU  65          1HD1      LEU  65   1.716  -7.508  -3.603
  488   2HD2  LEU  65          2HD1      LEU  65   2.081  -7.984  -5.261
  489   3HD2  LEU  65          3HD1      LEU  65   1.711  -9.213  -4.052
  490    H    LYS  66           H        LYS  66  -3.277  -7.661  -2.084
  491    HA   LYS  66           HA       LYS  66  -3.389 -10.431  -2.883
  492   1HB   LYS  66          1HB       LYS  66  -2.930  -9.734  -0.540
  493   2HB   LYS  66          2HB       LYS  66  -4.565  -9.096  -0.440
  494   1HG   LYS  66          1HG       LYS  66  -5.515 -11.262  -0.637
  495   2HG   LYS  66          2HG       LYS  66  -3.956 -11.974  -1.055
  496   1HD   LYS  66          2HD       LYS  66  -3.176 -11.874   1.108
  497   2HD   LYS  66          1HD       LYS  66  -4.249 -10.541   1.544
  498   1HE   LYS  66          2HE       LYS  66  -5.924 -12.675   0.851
  499   2HE   LYS  66          1HE       LYS  66  -4.642 -13.376   1.838
  500   1HZ   LYS  66          1HZ       LYS  66  -5.206 -12.103   3.640
  501   2HZ   LYS  66          2HZ       LYS  66  -6.719 -12.436   2.976
  502    H    ALA  67           H        ALA  67  -5.705  -7.846  -2.267
  503    HA   ALA  67           HA       ALA  67  -7.979  -9.459  -2.940
  504   1HB   ALA  67          1HB       ALA  67  -8.070  -7.613  -1.287
  505   2HB   ALA  67          2HB       ALA  67  -9.288  -7.485  -2.557
  506   3HB   ALA  67          3HB       ALA  67  -7.845  -6.470  -2.612
  507    H    VAL  68           H        VAL  68  -5.753  -7.501  -4.672
  508    HA   VAL  68           HA       VAL  68  -7.556  -7.107  -6.900
  509    HB   VAL  68           HB       VAL  68  -5.860  -5.400  -6.192
  510   1HG1  VAL  68          1HG2      VAL  68  -3.824  -6.878  -7.789
  511   2HG1  VAL  68          2HG2      VAL  68  -4.029  -7.277  -6.084
  512   3HG1  VAL  68          3HG2      VAL  68  -3.602  -5.631  -6.559
  513   1HG2  VAL  68          1HG1      VAL  68  -5.074  -5.491  -8.880
  514   2HG2  VAL  68          2HG1      VAL  68  -6.444  -4.622  -8.187
  515   3HG2  VAL  68          3HG1      VAL  68  -6.661  -6.257  -8.811
  516    H    SER  69           H        SER  69  -4.954  -9.229  -5.956
  517    HA   SER  69           HA       SER  69  -4.679 -10.368  -8.609
  518   1HB   SER  69          1HB       SER  69  -2.695 -10.161  -7.173
  519   2HB   SER  69          2HB       SER  69  -3.447 -11.210  -5.973
  520    HG   SER  69           HG       SER  69  -2.388 -12.676  -7.080
  521    H    LYS  70           H        LYS  70  -6.460 -10.956  -5.711
  522    HA   LYS  70           HA       LYS  70  -7.317 -13.576  -6.742
  523   1HB   LYS  70          2HB       LYS  70  -7.552 -12.503  -3.924
  524   2HB   LYS  70          1HB       LYS  70  -7.993 -14.118  -4.461
  525   1HG   LYS  70          2HG       LYS  70  -5.557 -14.381  -5.151
  526   2HG   LYS  70          1HG       LYS  70  -5.257 -12.922  -4.204
  527   1HD   LYS  70          1HD       LYS  70  -4.828 -14.862  -2.836
  528   2HD   LYS  70          2HD       LYS  70  -6.270 -14.037  -2.240
  529   1HE   LYS  70          1HE       LYS  70  -7.706 -15.659  -3.199
  530   2HE   LYS  70          2HE       LYS  70  -6.394 -16.362  -4.143
  531   1HZ   LYS  70          1HZ       LYS  70  -5.731 -17.601  -2.439
  532   2HZ   LYS  70          2HZ       LYS  70  -7.260 -17.308  -1.796
  Start of MODEL    8
    1    H    VAL   7           H        VAL   7  17.016   3.728  -3.631
    2    HA   VAL   7           HA       VAL   7  15.563   2.777  -5.770
    3    HB   VAL   7           HB       VAL   7  14.081   1.681  -3.981
    4   1HG1  VAL   7          1HG1      VAL   7  16.516   1.032  -5.009
    5   2HG1  VAL   7          2HG1      VAL   7  15.550  -0.016  -3.970
    6   3HG1  VAL   7          3HG1      VAL   7  16.835   0.972  -3.276
    7   1HG2  VAL   7          1HG2      VAL   7  14.345   2.139  -1.802
    8   2HG2  VAL   7          2HG2      VAL   7  15.053   3.649  -2.375
    9   3HG2  VAL   7          3HG2      VAL   7  16.097   2.294  -1.945
   10    H    ARG   8           H        ARG   8  13.714   3.331  -6.764
   11    HA   ARG   8           HA       ARG   8  11.591   4.674  -5.423
   12   1HB   ARG   8          2HB       ARG   8  13.510   6.241  -7.038
   13   2HB   ARG   8          1HB       ARG   8  11.810   6.544  -7.373
   14   1HG   ARG   8          1HG       ARG   8  11.524   6.881  -4.878
   15   2HG   ARG   8          2HG       ARG   8  13.286   6.902  -4.783
   16   1HD   ARG   8          2HD       ARG   8  13.386   8.792  -6.279
   17   2HD   ARG   8          1HD       ARG   8  11.642   8.728  -6.531
   18   1HH1  ARG   8          1HH2      ARG   8  10.010   8.610  -5.468
   19   2HH1  ARG   8          2HH2      ARG   8   9.057   9.448  -4.289
   20   1HH2  ARG   8          2HH1      ARG   8  11.796  10.942  -2.710
   21   2HH2  ARG   8          1HH1      ARG   8  10.071  10.772  -2.721
   22    H    CYS   9           H        CYS   9   9.678   4.444  -6.524
   23    HA   CYS   9           HA       CYS   9   9.708   2.627  -8.758
   24   1HB   CYS   9          1HB       CYS   9   7.732   3.669  -6.867
   25   2HB   CYS   9          2HB       CYS   9   7.097   3.468  -8.492
   26    H    THR  10           H        THR  10   7.846   5.605  -8.340
   27    HA   THR  10           HA       THR  10   8.883   7.011 -10.518
   28    HB   THR  10           HB       THR  10   6.461   6.400 -11.723
   29    HG1  THR  10           HG1      THR  10   6.012   4.450 -11.173
   30   1HG2  THR  10          1HG2      THR  10   8.225   6.772 -13.162
   31   2HG2  THR  10          2HG2      THR  10   7.966   5.033 -13.309
   32   3HG2  THR  10          3HG2      THR  10   9.282   5.647 -12.307
   33    H    CYS  11           H        CYS  11   5.570   6.225  -9.443
   34    HA   CYS  11           HA       CYS  11   4.755   8.951  -9.474
   35   1HB   CYS  11          1HB       CYS  11   3.530   6.357  -8.724
   36   2HB   CYS  11          2HB       CYS  11   2.868   7.782  -7.930
   37    H    ILE  12           H        ILE  12   5.415  10.433  -8.086
   38    HA   ILE  12           HA       ILE  12   6.693   9.901  -5.643
   39    HB   ILE  12           HB       ILE  12   5.327  12.488  -6.367
   40   1HG1  ILE  12          1HG1      ILE  12   8.182  12.322  -6.936
   41   2HG1  ILE  12          2HG1      ILE  12   7.248  11.176  -7.891
   42   1HG2  ILE  12          1HG2      ILE  12   6.189  13.210  -4.456
   43   2HG2  ILE  12          2HG2      ILE  12   7.804  12.869  -5.078
   44   3HG2  ILE  12          3HG2      ILE  12   6.932  11.636  -4.166
   45   1HD1  ILE  12          1HD1      ILE  12   5.809  13.041  -8.636
   46   2HD1  ILE  12          2HD1      ILE  12   7.495  13.211  -9.120
   47   3HD1  ILE  12          3HD1      ILE  12   6.867  14.154  -7.769
   48    H    SER  13           H        SER  13   3.349  10.153  -6.452
   49    HA   SER  13           HA       SER  13   2.604  10.428  -3.630
   50   1HB   SER  13          1HB       SER  13   0.544  11.241  -4.313
   51   2HB   SER  13          2HB       SER  13   1.571  11.798  -5.634
   52    HG   SER  13           HG       SER  13   0.940   9.667  -6.618
   53    H    ILE  14           H        ILE  14   1.192   8.962  -2.631
   54    HA   ILE  14           HA       ILE  14   0.647   6.449  -4.032
   55    HB   ILE  14           HB       ILE  14   1.418   5.121  -2.108
   56   1HG1  ILE  14          2HG1      ILE  14   2.871   7.555  -1.103
   57   2HG1  ILE  14          1HG1      ILE  14   1.237   7.199  -0.554
   58   1HG2  ILE  14          1HG2      ILE  14   2.881   5.963  -4.152
   59   2HG2  ILE  14          2HG2      ILE  14   3.556   4.961  -2.869
   60   3HG2  ILE  14          3HG2      ILE  14   3.812   6.706  -2.853
   61   1HD1  ILE  14          1HD1      ILE  14   3.763   5.696  -0.069
   62   2HD1  ILE  14          2HD1      ILE  14   2.210   4.865   0.003
   63   3HD1  ILE  14          3HD1      ILE  14   2.530   6.226   1.077
   64    H    SER  15           H        SER  15  -0.527   4.960  -2.192
   65    HA   SER  15           HA       SER  15  -2.781   6.617  -1.331
   66   1HB   SER  15          2HB       SER  15  -3.588   4.862  -2.665
   67   2HB   SER  15          1HB       SER  15  -2.499   3.683  -1.933
   68    HG   SER  15           HG       SER  15  -4.661   4.960  -0.608
   69    H    ASN  16           H        ASN  16  -2.038   3.492   0.114
   70    HA   ASN  16           HA       ASN  16  -1.982   2.910   2.332
   71   1HB   ASN  16          2HB       ASN  16   0.385   3.469   1.756
   72   2HB   ASN  16          1HB       ASN  16   0.110   5.088   2.390
   73   1HD2  ASN  16          1HD2      ASN  16   2.082   3.969   3.568
   74   2HD2  ASN  16          2HD2      ASN  16   1.682   3.317   5.116
   75    H    GLN  17           H        GLN  17  -3.901   5.007   1.691
   76    HA   GLN  17           HA       GLN  17  -4.035   6.345   4.310
   77   1HB   GLN  17          2HB       GLN  17  -4.640   8.334   3.359
   78   2HB   GLN  17          1HB       GLN  17  -3.657   7.696   2.058
   79   1HG   GLN  17          1HG       GLN  17  -5.959   6.729   1.231
   80   2HG   GLN  17          2HG       GLN  17  -6.597   8.057   2.197
   81   1HE2  GLN  17          2HE2      GLN  17  -6.379  10.126   1.489
   82   2HE2  GLN  17          1HE2      GLN  17  -5.714  10.550  -0.047
   83    HA   PRO  18           HA       PRO  18  -8.120   5.058   5.351
   84   1HB   PRO  18          2HB       PRO  18  -9.266   7.450   3.950
   85   2HB   PRO  18          1HB       PRO  18  -9.706   6.750   5.514
   86   1HG   PRO  18          1HG       PRO  18  -8.140   8.896   5.399
   87   2HG   PRO  18          2HG       PRO  18  -7.828   7.608   6.577
   88   1HD   PRO  18          2HD       PRO  18  -6.359   8.308   4.102
   89   2HD   PRO  18          1HD       PRO  18  -5.764   7.537   5.582
   90    H    VAL  19           H        VAL  19  -7.644   6.134   2.032
   91    HA   VAL  19           HA       VAL  19  -9.757   4.342   1.122
   92    HB   VAL  19           HB       VAL  19  -9.028   5.269  -1.189
   93   1HG1  VAL  19          1HG2      VAL  19 -11.152   5.842  -0.494
   94   2HG1  VAL  19          2HG2      VAL  19 -10.376   7.422  -0.627
   95   3HG1  VAL  19          3HG2      VAL  19 -10.570   6.666   0.954
   96   1HG2  VAL  19          1HG1      VAL  19  -8.037   7.472  -1.149
   97   2HG2  VAL  19          2HG1      VAL  19  -6.955   6.317  -0.370
   98   3HG2  VAL  19          3HG1      VAL  19  -7.922   7.421   0.609
   99    H    ASN  20           H        ASN  20  -7.952   2.828   2.207
  100    HA   ASN  20           HA       ASN  20  -5.799   1.946   0.647
  101   1HB   ASN  20          2HB       ASN  20  -7.561   0.280   2.463
  102   2HB   ASN  20          1HB       ASN  20  -5.902  -0.068   2.010
  103   1HD2  ASN  20          1HD2      ASN  20  -4.393   1.881   2.429
  104   2HD2  ASN  20          2HD2      ASN  20  -4.522   2.551   4.019
  105    HA   PRO  21           HA       PRO  21  -7.327  -0.432  -2.694
  106   1HB   PRO  21          1HB       PRO  21  -7.030  -3.071  -1.360
  107   2HB   PRO  21          2HB       PRO  21  -6.450  -2.515  -2.948
  108   1HG   PRO  21          2HG       PRO  21  -4.761  -2.666  -0.917
  109   2HG   PRO  21          1HG       PRO  21  -4.713  -1.270  -1.999
  110   1HD   PRO  21          1HD       PRO  21  -5.895  -1.541   0.737
  111   2HD   PRO  21          2HD       PRO  21  -4.896  -0.230   0.071
  112    H    ARG  22           H        ARG  22  -8.990  -0.852   0.291
  113    HA   ARG  22           HA       ARG  22 -11.192  -2.419  -0.349
  114   1HB   ARG  22          2HB       ARG  22 -10.708  -0.074   1.373
  115   2HB   ARG  22          1HB       ARG  22 -12.375  -0.254   0.846
  116   1HG   ARG  22          2HG       ARG  22 -10.759  -2.372   2.250
  117   2HG   ARG  22          1HG       ARG  22 -11.958  -1.323   3.011
  118   1HD   ARG  22          2HD       ARG  22 -12.449  -3.364   0.846
  119   2HD   ARG  22          1HD       ARG  22 -12.955  -3.466   2.532
  120   1HH1  ARG  22          1HH2      ARG  22 -14.142  -4.484   0.571
  121   2HH1  ARG  22          2HH2      ARG  22 -15.735  -4.384  -0.099
  122   1HH2  ARG  22          2HH1      ARG  22 -16.198  -1.026   0.755
  123   2HH2  ARG  22          1HH1      ARG  22 -16.905  -2.419   0.005
  124    H    SER  23           H        SER  23 -10.160   0.692  -1.427
  125    HA   SER  23           HA       SER  23 -12.295   0.865  -3.421
  126   1HB   SER  23          1HB       SER  23 -10.101   2.897  -3.019
  127   2HB   SER  23          2HB       SER  23 -11.707   3.139  -3.701
  128    HG   SER  23           HG       SER  23 -10.884   3.125  -1.065
  129    H    LEU  24           H        LEU  24 -11.641  -0.749  -4.813
  130    HA   LEU  24           HA       LEU  24  -9.013  -0.383  -6.124
  131   1HB   LEU  24          2HB       LEU  24  -8.452  -2.157  -4.647
  132   2HB   LEU  24          1HB       LEU  24  -9.972  -2.979  -4.931
  133    HG   LEU  24           HG       LEU  24  -8.544  -2.721  -7.408
  134   1HD1  LEU  24          1HD2      LEU  24  -6.821  -2.991  -5.194
  135   2HD1  LEU  24          2HD2      LEU  24  -6.436  -3.163  -6.903
  136   3HD1  LEU  24          3HD2      LEU  24  -6.918  -4.574  -5.962
  137   1HD2  LEU  24          1HD1      LEU  24 -10.342  -4.375  -6.566
  138   2HD2  LEU  24          2HD1      LEU  24  -8.972  -5.259  -5.888
  139   3HD2  LEU  24          3HD1      LEU  24  -9.060  -4.967  -7.624
  140    H    GLU  25           H        GLU  25  -9.078  -0.682  -8.329
  141    HA   GLU  25           HA       GLU  25 -11.449  -1.986  -9.468
  142   1HB   GLU  25          1HB       GLU  25 -11.651   0.661  -9.150
  143   2HB   GLU  25          2HB       GLU  25 -10.796   0.656 -10.680
  144   1HG   GLU  25          1HG       GLU  25 -12.522  -0.490 -11.771
  145   2HG   GLU  25          2HG       GLU  25 -13.287  -0.949 -10.251
  146    H    LYS  26           H        LYS  26  -8.998   0.190 -10.809
  147    HA   LYS  26           HA       LYS  26  -8.268  -1.931 -12.700
  148   1HB   LYS  26          2HB       LYS  26  -7.466   0.912 -13.138
  149   2HB   LYS  26          1HB       LYS  26  -7.825  -0.336 -14.320
  150   1HG   LYS  26          2HG       LYS  26  -9.962   0.869 -12.590
  151   2HG   LYS  26          1HG       LYS  26  -9.465   1.598 -14.120
  152   1HD   LYS  26          2HD       LYS  26  -9.876  -0.740 -15.122
  153   2HD   LYS  26          1HD       LYS  26 -10.773  -1.058 -13.635
  154   1HE   LYS  26          2HE       LYS  26 -12.464   0.344 -14.193
  155   2HE   LYS  26          1HE       LYS  26 -11.400   1.462 -15.046
  156   1HZ   LYS  26          1HZ       LYS  26 -12.823  -0.867 -16.031
  157   2HZ   LYS  26          2HZ       LYS  26 -11.263  -0.657 -16.633
  158   1HN   MLE  27          1HM       LEM  27  -7.274  -3.459 -12.145
  159   2HN   MLE  27          2HM       LEM  27  -7.817  -3.232 -10.484
  160   3HN   MLE  27          3HM       LEM  27  -6.318  -4.097 -10.812
  161    HA   MLE  27           HA       LEM  27  -4.578  -1.154 -10.443
  162   1HB   MLE  27          1HB       LEM  27  -4.595  -3.300  -8.647
  163   2HB   MLE  27          2HB       LEM  27  -6.264  -2.813  -8.800
  164    HG   MLE  27           HG       LEM  27  -4.272  -0.685  -8.382
  165   1HD1  MLE  27          1HD1      LEM  27  -7.127  -1.152  -8.026
  166   2HD1  MLE  27          2HD1      LEM  27  -6.251   0.354  -8.297
  167   3HD1  MLE  27          3HD1      LEM  27  -6.370  -0.316  -6.671
  168   1HD2  MLE  27          1HD2      LEM  27  -3.723  -1.109  -6.285
  169   2HD2  MLE  27          2HD2      LEM  27  -3.935  -2.780  -6.792
  170   3HD2  MLE  27          3HD2      LEM  27  -5.226  -1.948  -5.918
  171    H    GLU  28           H        GLU  28  -3.076  -1.621 -11.911
  172    HA   GLU  28           HA       GLU  28  -2.521  -4.393 -12.623
  173   1HB   GLU  28          2HB       GLU  28  -2.499  -2.840 -14.461
  174   2HB   GLU  28          1HB       GLU  28  -1.390  -1.772 -13.610
  175   1HG   GLU  28          2HG       GLU  28  -0.118  -4.257 -13.719
  176   2HG   GLU  28          1HG       GLU  28  -0.830  -4.008 -15.313
  177    H    ILE  29           H        ILE  29  -1.571  -5.328 -10.863
  178    HA   ILE  29           HA       ILE  29   0.510  -3.923  -9.434
  179    HB   ILE  29           HB       ILE  29   0.550  -5.819  -7.913
  180   1HG1  ILE  29          1HG1      ILE  29  -1.392  -7.524  -8.317
  181   2HG1  ILE  29          2HG1      ILE  29  -1.236  -7.029 -10.000
  182   1HG2  ILE  29          1HG2      ILE  29  -1.870  -5.671  -7.174
  183   2HG2  ILE  29          2HG2      ILE  29  -2.133  -4.656  -8.593
  184   3HG2  ILE  29          3HG2      ILE  29  -0.998  -4.146  -7.343
  185   1HD1  ILE  29          1HD1      ILE  29   0.458  -8.415 -10.261
  186   2HD1  ILE  29          2HD1      ILE  29   0.285  -8.931  -8.582
  187   3HD1  ILE  29          3HD1      ILE  29   1.360  -7.588  -8.989
  188    H    ILE  30           H        ILE  30   2.601  -4.385  -9.332
  189    HA   ILE  30           HA       ILE  30   3.659  -6.659 -10.838
  190    HB   ILE  30           HB       ILE  30   5.396  -4.332 -11.086
  191   1HG1  ILE  30          1HG1      ILE  30   2.877  -4.245 -12.753
  192   2HG1  ILE  30          2HG1      ILE  30   3.068  -3.275 -11.297
  193   1HG2  ILE  30          1HG2      ILE  30   4.603  -5.412 -13.585
  194   2HG2  ILE  30          2HG2      ILE  30   4.771  -6.744 -12.442
  195   3HG2  ILE  30          3HG2      ILE  30   6.121  -5.642 -12.717
  196   1HD1  ILE  30          1HD1      ILE  30   5.366  -2.763 -12.741
  197   2HD1  ILE  30          2HD1      ILE  30   3.950  -1.720 -12.602
  198   3HD1  ILE  30          3HD1      ILE  30   4.093  -2.837 -13.959
  199    HA   PRO  31           HA       PRO  31   6.305  -6.827  -7.291
  200   1HB   PRO  31          1HB       PRO  31   8.147  -8.556  -8.137
  201   2HB   PRO  31          2HB       PRO  31   6.447  -9.027  -8.035
  202   1HG   PRO  31          2HG       PRO  31   8.093  -8.368 -10.423
  203   2HG   PRO  31          1HG       PRO  31   6.736  -9.497 -10.269
  204   1HD   PRO  31          1HD       PRO  31   6.658  -6.827 -11.255
  205   2HD   PRO  31          2HD       PRO  31   5.280  -7.904 -10.961
  206    H    ALA  32           H        ALA  32   7.192  -4.714  -7.051
  207    HA   ALA  32           HA       ALA  32   9.540  -3.993  -8.583
  208   1HB   ALA  32          1HB       ALA  32   9.563  -2.008  -7.040
  209   2HB   ALA  32          2HB       ALA  32   8.030  -2.603  -6.400
  210   3HB   ALA  32          3HB       ALA  32   8.164  -2.161  -8.107
  211    H    SER  33           H        SER  33  11.585  -3.435  -7.587
  212    HA   SER  33           HA       SER  33  12.214  -4.355  -4.967
  213   1HB   SER  33          2HB       SER  33  12.118  -6.563  -5.854
  214   2HB   SER  33          1HB       SER  33  12.999  -6.090  -7.306
  215    HG   SER  33           HG       SER  33  14.847  -6.130  -6.224
  216    H    GLN  34           H        GLN  34  14.281  -4.668  -7.801
  217    HA   GLN  34           HA       GLN  34  16.483  -3.381  -6.834
  218   1HB   GLN  34          2HB       GLN  34  17.227  -3.122  -9.098
  219   2HB   GLN  34          1HB       GLN  34  16.313  -4.620  -9.004
  220   1HG   GLN  34          1HG       GLN  34  14.360  -2.892  -9.705
  221   2HG   GLN  34          2HG       GLN  34  15.753  -2.150 -10.490
  222   1HE2  GLN  34          1HE2      GLN  34  16.427  -2.952 -12.366
  223   2HE2  GLN  34          2HE2      GLN  34  15.875  -4.426 -13.077
  224    H    PHE  35           H        PHE  35  13.538  -1.948  -7.986
  225    HA   PHE  35           HA       PHE  35  14.730   0.722  -7.741
  226   1HB   PHE  35          1HB       PHE  35  12.781  -0.447  -9.555
  227   2HB   PHE  35          2HB       PHE  35  12.177   1.029  -8.807
  228    HD1  PHE  35           HD1      PHE  35  15.757   0.568  -9.374
  229    HD2  PHE  35           HD2      PHE  35  12.145   2.197 -10.925
  230    HE1  PHE  35           HE1      PHE  35  17.054   1.908 -10.978
  231    HE2  PHE  35           HE2      PHE  35  13.436   3.540 -12.531
  232    HZ   PHE  35           HZ       PHE  35  15.893   3.396 -12.560
  233    H    CYS  36           H        CYS  36  11.868  -1.178  -6.790
  234    HA   CYS  36           HA       CYS  36  11.692   0.396  -4.357
  235   1HB   CYS  36          2HB       CYS  36   9.144   0.703  -4.902
  236   2HB   CYS  36          1HB       CYS  36  10.326   1.828  -5.544
  237    HA   PRO  37           HA       PRO  37  10.905  -4.119  -3.642
  238   1HB   PRO  37          2HB       PRO  37  11.481  -2.989  -0.932
  239   2HB   PRO  37          1HB       PRO  37  12.003  -4.521  -1.649
  240   1HG   PRO  37          1HG       PRO  37  13.713  -2.525  -1.546
  241   2HG   PRO  37          2HG       PRO  37  13.571  -3.468  -3.044
  242   1HD   PRO  37          1HD       PRO  37  12.470  -0.756  -2.406
  243   2HD   PRO  37          2HD       PRO  37  13.231  -1.338  -3.899
  244    H    ARG  38           H        ARG  38   8.700  -3.449  -4.264
  245    HA   ARG  38           HA       ARG  38   6.880  -3.990  -2.154
  246   1HB   ARG  38          1HB       ARG  38   7.442  -1.236  -2.667
  247   2HB   ARG  38          2HB       ARG  38   5.806  -1.569  -3.210
  248   1HG   ARG  38          2HG       ARG  38   5.120  -1.380  -1.119
  249   2HG   ARG  38          1HG       ARG  38   6.069  -2.810  -0.705
  250   1HD   ARG  38          2HD       ARG  38   6.637  -0.922   0.736
  251   2HD   ARG  38          1HD       ARG  38   8.010  -1.404  -0.262
  252   1HH1  ARG  38          2HH2      ARG  38   9.108  -0.078   0.686
  253   2HH1  ARG  38          1HH2      ARG  38   9.866   1.470   0.512
  254   1HH2  ARG  38          1HH1      ARG  38   7.405   2.761  -1.611
  255   2HH2  ARG  38          2HH1      ARG  38   8.897   3.083  -0.793
  256    H    VAL  39           H        VAL  39   4.532  -3.011  -3.389
  257    HA   VAL  39           HA       VAL  39   4.549  -4.604  -5.843
  258    HB   VAL  39           HB       VAL  39   2.021  -3.461  -4.700
  259   1HG1  VAL  39          1HG1      VAL  39   1.994  -4.507  -6.910
  260   2HG1  VAL  39          2HG1      VAL  39   1.052  -5.435  -5.744
  261   3HG1  VAL  39          3HG1      VAL  39   2.657  -5.988  -6.222
  262   1HG2  VAL  39          1HG2      VAL  39   3.406  -4.689  -2.915
  263   2HG2  VAL  39          2HG2      VAL  39   3.110  -6.141  -3.867
  264   3HG2  VAL  39          3HG2      VAL  39   1.755  -5.248  -3.185
  265    H    GLU  40           H        GLU  40   4.599  -3.632  -7.758
  266    HA   GLU  40           HA       GLU  40   4.353  -0.743  -7.902
  267   1HB   GLU  40          1HB       GLU  40   5.491  -2.890  -9.585
  268   2HB   GLU  40          2HB       GLU  40   4.644  -1.640 -10.496
  269   1HG   GLU  40          2HG       GLU  40   6.094   0.039  -9.787
  270   2HG   GLU  40          1HG       GLU  40   6.704  -0.928  -8.445
  271    H    ILE  41           H        ILE  41   2.404   0.159  -8.230
  272    HA   ILE  41           HA       ILE  41   0.438  -1.418  -9.726
  273    HB   ILE  41           HB       ILE  41   0.257  -1.933  -7.346
  274   1HG1  ILE  41          2HG1      ILE  41  -2.101  -1.636  -7.135
  275   2HG1  ILE  41          1HG1      ILE  41  -2.092  -0.276  -8.252
  276   1HG2  ILE  41          1HG2      ILE  41   0.491  -0.402  -5.781
  277   2HG2  ILE  41          2HG2      ILE  41  -0.936   0.449  -6.374
  278   3HG2  ILE  41          3HG2      ILE  41   0.652   0.827  -7.027
  279   1HD1  ILE  41          1HD1      ILE  41  -1.086  -2.884  -9.213
  280   2HD1  ILE  41          2HD1      ILE  41  -1.955  -1.618 -10.078
  281   3HD1  ILE  41          3HD1      ILE  41  -2.817  -2.696  -8.983
  282    H    ILE  42           H        ILE  42  -0.611  -0.291 -11.161
  283    HA   ILE  42           HA       ILE  42  -0.947   2.602 -10.781
  284    HB   ILE  42           HB       ILE  42  -1.910   1.095 -13.192
  285   1HG1  ILE  42          2HG1      ILE  42   0.518   0.624 -12.892
  286   2HG1  ILE  42          1HG1      ILE  42   0.185   1.591 -14.326
  287   1HG2  ILE  42          1HG2      ILE  42  -1.722   3.853 -12.271
  288   2HG2  ILE  42          2HG2      ILE  42  -2.735   3.148 -13.534
  289   3HG2  ILE  42          3HG2      ILE  42  -1.075   3.623 -13.899
  290   1HD1  ILE  42          1HD1      ILE  42   1.797   2.207 -12.001
  291   2HD1  ILE  42          2HD1      ILE  42   0.635   3.479 -12.376
  292   3HD1  ILE  42          3HD1      ILE  42   1.784   2.945 -13.602
  293    H    ALA  43           H        ALA  43  -2.414   2.504  -9.127
  294    HA   ALA  43           HA       ALA  43  -4.682   0.754  -9.381
  295   1HB   ALA  43          1HB       ALA  43  -5.110   1.448  -7.012
  296   2HB   ALA  43          2HB       ALA  43  -3.677   2.468  -7.124
  297   3HB   ALA  43          3HB       ALA  43  -3.528   0.721  -7.290
  298    H    THR  44           H        THR  44  -6.573   1.228  -9.996
  299    HA   THR  44           HA       THR  44  -7.537   3.996  -9.753
  300    HB   THR  44           HB       THR  44  -8.498   1.829 -11.639
  301    HG1  THR  44           HG1      THR  44  -7.339   4.348 -12.203
  302   1HG2  THR  44          1HG2      THR  44  -9.470   4.659 -11.605
  303   2HG2  THR  44          2HG2      THR  44 -10.298   3.372 -10.729
  304   3HG2  THR  44          3HG2      THR  44 -10.125   3.275 -12.482
  305    H    MET  45           H        MET  45  -9.019   4.262  -8.214
  306    HA   MET  45           HA       MET  45  -9.689   1.963  -6.649
  307   1HB   MET  45          2HB       MET  45 -10.006   4.930  -6.309
  308   2HB   MET  45          1HB       MET  45 -10.705   3.805  -5.160
  309   1HG   MET  45          2HG       MET  45  -8.686   3.176  -4.324
  310   2HG   MET  45          1HG       MET  45  -7.844   3.470  -5.845
  311   1HE   MET  45          1HE       MET  45  -6.027   5.852  -3.306
  312   2HE   MET  45          2HE       MET  45  -5.821   4.548  -4.474
  313   3HE   MET  45          3HE       MET  45  -6.692   4.255  -2.968
  314    H    LYS  46           H        LYS  46 -11.472   0.803  -6.757
  315    HA   LYS  46           HA       LYS  46 -13.903   1.927  -7.925
  316   1HB   LYS  46          2HB       LYS  46 -13.028  -0.510  -8.370
  317   2HB   LYS  46          1HB       LYS  46 -13.753  -0.849  -6.811
  318   1HG   LYS  46          2HG       LYS  46 -15.767   0.478  -8.044
  319   2HG   LYS  46          1HG       LYS  46 -15.007  -0.341  -9.410
  320   1HD   LYS  46          2HD       LYS  46 -15.060  -2.370  -7.663
  321   2HD   LYS  46          1HD       LYS  46 -16.460  -1.462  -7.088
  322   1HE   LYS  46          1HE       LYS  46 -17.602  -2.546  -8.674
  323   2HE   LYS  46          2HE       LYS  46 -16.817  -1.440  -9.802
  324   1HZ   LYS  46          1HZ       LYS  46 -15.887  -3.178 -10.751
  325   2HZ   LYS  46          2HZ       LYS  46 -16.562  -4.224  -9.615
  326    H    LYS  47           H        LYS  47 -14.828   3.177  -6.528
  327    HA   LYS  47           HA       LYS  47 -16.225   2.543  -4.312
  328   1HB   LYS  47          1HB       LYS  47 -13.447   2.433  -3.689
  329   2HB   LYS  47          2HB       LYS  47 -14.195   3.746  -2.814
  330   1HG   LYS  47          2HG       LYS  47 -15.173   0.911  -2.797
  331   2HG   LYS  47          1HG       LYS  47 -14.136   1.636  -1.566
  332   1HD   LYS  47          1HD       LYS  47 -15.936   2.413  -0.519
  333   2HD   LYS  47          2HD       LYS  47 -16.345   3.367  -1.947
  334   1HE   LYS  47          2HE       LYS  47 -17.933   1.913  -2.626
  335   2HE   LYS  47          1HE       LYS  47 -17.021   0.503  -2.088
  336   1HZ   LYS  47          1HZ       LYS  47 -18.475   2.356  -0.287
  337   2HZ   LYS  47          2HZ       LYS  47 -19.090   0.888  -0.840
  338    H    LYS  48           H        LYS  48 -14.046   4.766  -5.835
  339    HA   LYS  48           HA       LYS  48 -15.994   6.875  -5.701
  340   1HB   LYS  48          1HB       LYS  48 -14.736   6.896  -3.509
  341   2HB   LYS  48          2HB       LYS  48 -13.300   7.338  -4.428
  342   1HG   LYS  48          2HG       LYS  48 -14.240   9.329  -3.519
  343   2HG   LYS  48          1HG       LYS  48 -14.511   9.337  -5.262
  344   1HD   LYS  48          2HD       LYS  48 -16.804   8.327  -4.718
  345   2HD   LYS  48          1HD       LYS  48 -16.484   8.826  -3.056
  346   1HE   LYS  48          2HE       LYS  48 -17.639  10.644  -3.881
  347   2HE   LYS  48          1HE       LYS  48 -15.964  11.134  -4.132
  348   1HZ   LYS  48          1HZ       LYS  48 -16.199  11.097  -6.330
  349   2HZ   LYS  48          2HZ       LYS  48 -17.088   9.666  -6.329
  350    H    GLY  49           H        GLY  49 -14.416   5.261  -7.663
  351   1HA   GLY  49          2HA       GLY  49 -13.154   5.532  -9.578
  352   2HA   GLY  49          1HA       GLY  49 -14.171   6.955  -9.746
  353    H    GLU  50           H        GLU  50 -11.217   5.889  -8.066
  354    HA   GLU  50           HA       GLU  50 -10.065   8.524  -8.711
  355   1HB   GLU  50          1HB       GLU  50 -10.498   7.498  -6.178
  356   2HB   GLU  50          2HB       GLU  50  -8.800   7.148  -6.469
  357   1HG   GLU  50          2HG       GLU  50  -8.309   9.450  -6.838
  358   2HG   GLU  50          1HG       GLU  50 -10.022   9.871  -6.830
  359    H    LYS  51           H        LYS  51  -7.706   8.548  -8.967
  360    HA   LYS  51           HA       LYS  51  -6.640   5.961  -9.894
  361   1HB   LYS  51          2HB       LYS  51  -7.272   7.510 -11.770
  362   2HB   LYS  51          1HB       LYS  51  -6.067   8.639 -11.170
  363   1HG   LYS  51          2HG       LYS  51  -4.356   7.468 -12.025
  364   2HG   LYS  51          1HG       LYS  51  -5.084   5.912 -11.622
  365   1HD   LYS  51          2HD       LYS  51  -6.419   5.917 -13.562
  366   2HD   LYS  51          1HD       LYS  51  -6.127   7.632 -13.856
  367   1HE   LYS  51          2HE       LYS  51  -4.149   5.374 -14.121
  368   2HE   LYS  51          1HE       LYS  51  -4.835   6.348 -15.422
  369   1HZ   LYS  51          1HZ       LYS  51  -2.835   7.357 -15.128
  370   2HZ   LYS  51          2HZ       LYS  51  -2.765   7.033 -13.476
  371    H    ARG  52           H        ARG  52  -4.786   5.384  -8.962
  372    HA   ARG  52           HA       ARG  52  -2.900   7.386  -8.036
  373   1HB   ARG  52          1HB       ARG  52  -4.748   6.718  -6.254
  374   2HB   ARG  52          2HB       ARG  52  -3.696   5.328  -6.026
  375   1HG   ARG  52          1HG       ARG  52  -3.039   6.907  -4.416
  376   2HG   ARG  52          2HG       ARG  52  -1.809   6.970  -5.679
  377   1HD   ARG  52          2HD       ARG  52  -2.241   9.109  -6.115
  378   2HD   ARG  52          1HD       ARG  52  -3.976   8.807  -6.214
  379   1HH1  ARG  52          1HH1      ARG  52  -5.410   8.192  -4.985
  380   2HH1  ARG  52          2HH1      ARG  52  -6.326   8.665  -3.593
  381   1HH2  ARG  52          1HH2      ARG  52  -3.709  10.459  -2.123
  382   2HH2  ARG  52          2HH2      ARG  52  -5.359   9.955  -1.966
  383    H    CYS  53           H        CYS  53  -0.872   6.485  -7.318
  384    HA   CYS  53           HA       CYS  53  -0.300   3.801  -8.430
  385   1HB   CYS  53          2HB       CYS  53   1.832   5.838  -7.951
  386   2HB   CYS  53          1HB       CYS  53   1.798   4.520  -9.116
  387    H    LEU  54           H        LEU  54  -0.509   2.543  -6.637
  388    HA   LEU  54           HA       LEU  54   0.515   3.475  -4.091
  389   1HB   LEU  54          2HB       LEU  54  -0.638   0.753  -4.419
  390   2HB   LEU  54          1HB       LEU  54  -0.806   1.887  -3.096
  391    HG   LEU  54           HG       LEU  54  -2.298   1.823  -5.704
  392   1HD1  LEU  54          1HD1      LEU  54  -3.911   0.979  -4.444
  393   2HD1  LEU  54          2HD1      LEU  54  -3.869   2.405  -3.407
  394   3HD1  LEU  54          3HD1      LEU  54  -2.836   1.021  -3.045
  395   1HD2  LEU  54          1HD2      LEU  54  -2.169   4.057  -5.772
  396   2HD2  LEU  54          2HD2      LEU  54  -1.551   4.169  -4.123
  397   3HD2  LEU  54          3HD2      LEU  54  -3.285   4.011  -4.407
  398    H    ASN  55           H        ASN  55   1.709   1.979  -2.670
  399    HA   ASN  55           HA       ASN  55   3.450   0.097  -4.032
  400   1HB   ASN  55          2HB       ASN  55   4.365   2.664  -2.821
  401   2HB   ASN  55          1HB       ASN  55   5.345   1.234  -2.517
  402   1HD2  ASN  55          2HD2      ASN  55   4.632   3.713  -4.671
  403   2HD2  ASN  55          1HD2      ASN  55   5.543   3.142  -6.022
  404    HA   PRO  56           HA       PRO  56   1.027  -1.328  -0.301
  405   1HB   PRO  56          2HB       PRO  56   2.660  -3.518  -1.578
  406   2HB   PRO  56          1HB       PRO  56   1.182  -3.695  -0.622
  407   1HG   PRO  56          1HG       PRO  56   0.927  -3.514  -3.238
  408   2HG   PRO  56          2HG       PRO  56  -0.116  -2.515  -2.212
  409   1HD   PRO  56          1HD       PRO  56   2.202  -1.687  -3.887
  410   2HD   PRO  56          2HD       PRO  56   0.784  -0.746  -3.371
  411    H    GLU  57           H        GLU  57   1.998  -0.219   1.264
  412    HA   GLU  57           HA       GLU  57   4.222  -1.521   2.641
  413   1HB   GLU  57          2HB       GLU  57   5.058   0.826   3.212
  414   2HB   GLU  57          1HB       GLU  57   5.330   0.303   1.552
  415   1HG   GLU  57          2HG       GLU  57   2.847   1.504   1.441
  416   2HG   GLU  57          1HG       GLU  57   3.740   2.512   2.572
  417    H    SER  58           H        SER  58   1.607  -1.912   3.301
  418    HA   SER  58           HA       SER  58   1.364  -0.675   5.885
  419   1HB   SER  58          1HB       SER  58   0.294   0.758   3.843
  420   2HB   SER  58          2HB       SER  58  -1.082  -0.227   4.283
  421    HG   SER  58           HG       SER  58  -1.199   1.535   5.578
  422    H    LYS  59           H        LYS  59  -1.403  -1.152   6.255
  423    HA   LYS  59           HA       LYS  59  -1.349  -4.044   6.487
  424   1HB   LYS  59          2HB       LYS  59  -1.922  -2.586   8.409
  425   2HB   LYS  59          1HB       LYS  59  -3.398  -2.143   7.575
  426   1HG   LYS  59          1HG       LYS  59  -2.922  -5.030   7.866
  427   2HG   LYS  59          2HG       LYS  59  -3.218  -4.143   9.363
  428   1HD   LYS  59          1HD       LYS  59  -5.014  -3.726   7.010
  429   2HD   LYS  59          2HD       LYS  59  -5.219  -5.151   8.029
  430   1HE   LYS  59          1HE       LYS  59  -5.835  -3.914   9.870
  431   2HE   LYS  59          2HE       LYS  59  -5.006  -2.464   9.305
  432   1HZ   LYS  59          1HZ       LYS  59  -7.680  -3.415   8.733
  433   2HZ   LYS  59          2HZ       LYS  59  -7.091  -1.840   8.828
  434    H    ALA  60           H        ALA  60  -4.138  -1.910   5.820
  435    HA   ALA  60           HA       ALA  60  -5.629  -3.783   4.393
  436   1HB   ALA  60          1HB       ALA  60  -6.713  -1.737   3.332
  437   2HB   ALA  60          2HB       ALA  60  -5.590  -0.779   4.297
  438   3HB   ALA  60          3HB       ALA  60  -6.754  -1.839   5.092
  439    H    ILE  61           H        ILE  61  -2.990  -1.763   3.462
  440    HA   ILE  61           HA       ILE  61  -3.067  -1.747   0.713
  441    HB   ILE  61           HB       ILE  61  -1.176  -1.323   2.814
  442   1HG1  ILE  61          1HG1      ILE  61  -1.707   0.461   1.396
  443   2HG1  ILE  61          2HG1      ILE  61  -0.040   0.062   1.006
  444   1HG2  ILE  61          1HG2      ILE  61   0.090  -3.214   2.318
  445   2HG2  ILE  61          2HG2      ILE  61   0.914  -1.870   1.549
  446   3HG2  ILE  61          3HG2      ILE  61  -0.063  -2.954   0.581
  447   1HD1  ILE  61          1HD1      ILE  61  -0.870   0.265  -1.081
  448   2HD1  ILE  61          2HD1      ILE  61  -2.489  -0.250  -0.607
  449   3HD1  ILE  61          3HD1      ILE  61  -1.208  -1.444  -0.811
  450    H    LYS  62           H        LYS  62  -2.027  -4.279   2.956
  451    HA   LYS  62           HA       LYS  62  -0.956  -6.143   1.167
  452   1HB   LYS  62          1HB       LYS  62  -0.819  -6.413   3.606
  453   2HB   LYS  62          2HB       LYS  62  -2.559  -6.658   3.687
  454   1HG   LYS  62          2HG       LYS  62  -2.400  -8.729   2.523
  455   2HG   LYS  62          1HG       LYS  62  -0.697  -8.452   2.149
  456   1HD   LYS  62          2HD       LYS  62  -0.309  -9.710   3.969
  457   2HD   LYS  62          1HD       LYS  62  -0.703  -8.242   4.865
  458   1HE   LYS  62          1HE       LYS  62  -2.182  -9.602   5.891
  459   2HE   LYS  62          2HE       LYS  62  -3.173  -9.216   4.485
  460   1HZ   LYS  62          1HZ       LYS  62  -2.745 -11.240   3.514
  461   2HZ   LYS  62          2HZ       LYS  62  -2.898 -11.647   5.143
  462    H    ASN  63           H        ASN  63  -4.228  -5.246   1.927
  463    HA   ASN  63           HA       ASN  63  -5.564  -7.368   0.607
  464   1HB   ASN  63          1HB       ASN  63  -6.390  -5.329   2.194
  465   2HB   ASN  63          2HB       ASN  63  -6.826  -4.686   0.613
  466   1HD2  ASN  63          2HD2      ASN  63  -8.982  -4.878   0.663
  467   2HD2  ASN  63          1HD2      ASN  63  -9.831  -6.370   0.853
  468    H    LEU  64           H        LEU  64  -4.087  -4.366  -0.384
  469    HA   LEU  64           HA       LEU  64  -5.091  -3.893  -2.885
  470   1HB   LEU  64          2HB       LEU  64  -3.153  -2.611  -1.870
  471   2HB   LEU  64          1HB       LEU  64  -2.117  -3.935  -2.322
  472    HG   LEU  64           HG       LEU  64  -3.394  -3.315  -4.685
  473   1HD1  LEU  64          1HD1      LEU  64  -3.168  -0.895  -2.998
  474   2HD1  LEU  64          2HD1      LEU  64  -4.345  -1.305  -4.257
  475   3HD1  LEU  64          3HD1      LEU  64  -2.723  -0.761  -4.695
  476   1HD2  LEU  64          1HD2      LEU  64  -0.806  -1.971  -4.072
  477   2HD2  LEU  64          2HD2      LEU  64  -1.277  -2.932  -5.472
  478   3HD2  LEU  64          3HD2      LEU  64  -0.871  -3.729  -3.954
  479    H    LEU  65           H        LEU  65  -2.203  -5.834  -2.340
  480    HA   LEU  65           HA       LEU  65  -2.244  -6.960  -4.915
  481   1HB   LEU  65          2HB       LEU  65  -0.259  -6.892  -3.428
  482   2HB   LEU  65          1HB       LEU  65  -0.994  -8.119  -2.415
  483    HG   LEU  65           HG       LEU  65  -1.047  -9.471  -4.697
  484   1HD1  LEU  65          1HD1      LEU  65   1.250  -7.553  -5.060
  485   2HD1  LEU  65          2HD1      LEU  65  -0.183  -7.682  -6.080
  486   3HD1  LEU  65          3HD1      LEU  65   0.975  -9.009  -6.016
  487   1HD2  LEU  65          1HD2      LEU  65   0.932  -9.175  -2.549
  488   2HD2  LEU  65          2HD2      LEU  65   1.524  -9.971  -4.007
  489   3HD2  LEU  65          3HD2      LEU  65   0.120 -10.617  -3.159
  490    H    LYS  66           H        LYS  66  -3.936  -7.836  -2.021
  491    HA   LYS  66           HA       LYS  66  -4.562 -10.515  -2.812
  492   1HB   LYS  66          1HB       LYS  66  -4.931  -8.890  -0.506
  493   2HB   LYS  66          2HB       LYS  66  -6.507  -9.507  -0.985
  494   1HG   LYS  66          2HG       LYS  66  -5.218 -11.784  -1.147
  495   2HG   LYS  66          1HG       LYS  66  -4.097 -10.977  -0.049
  496   1HD   LYS  66          1HD       LYS  66  -5.486 -11.209   1.680
  497   2HD   LYS  66          2HD       LYS  66  -6.852 -10.586   0.751
  498   1HE   LYS  66          1HE       LYS  66  -5.805 -13.413   0.638
  499   2HE   LYS  66          2HE       LYS  66  -7.227 -12.887   1.542
  500   1HZ   LYS  66          1HZ       LYS  66  -8.416 -13.178  -0.271
  501   2HZ   LYS  66          2HZ       LYS  66  -7.050 -13.628  -1.147
  502    H    ALA  67           H        ALA  67  -6.690  -7.670  -2.431
  503    HA   ALA  67           HA       ALA  67  -8.913  -8.729  -3.741
  504   1HB   ALA  67          1HB       ALA  67  -9.810  -6.585  -3.707
  505   2HB   ALA  67          2HB       ALA  67  -8.233  -5.817  -3.900
  506   3HB   ALA  67          3HB       ALA  67  -8.670  -6.560  -2.361
  507    H    VAL  68           H        VAL  68  -6.216  -6.818  -4.976
  508    HA   VAL  68           HA       VAL  68  -6.890  -6.402  -7.594
  509    HB   VAL  68           HB       VAL  68  -4.341  -6.879  -6.156
  510   1HG1  VAL  68          1HG1      VAL  68  -3.329  -6.245  -8.595
  511   2HG1  VAL  68          2HG1      VAL  68  -4.615  -7.353  -9.050
  512   3HG1  VAL  68          3HG1      VAL  68  -3.354  -7.878  -7.934
  513   1HG2  VAL  68          1HG2      VAL  68  -5.556  -4.663  -7.690
  514   2HG2  VAL  68          2HG2      VAL  68  -3.821  -4.683  -7.364
  515   3HG2  VAL  68          3HG2      VAL  68  -4.968  -4.695  -6.028
  516    H    SER  69           H        SER  69  -5.170  -9.266  -6.340
  517    HA   SER  69           HA       SER  69  -5.528 -10.704  -8.811
  518   1HB   SER  69          2HB       SER  69  -3.494 -11.195  -7.749
  519   2HB   SER  69          1HB       SER  69  -4.249 -11.323  -6.159
  520    HG   SER  69           HG       SER  69  -3.860 -13.235  -8.036
  521    H    LYS  70           H        LYS  70  -6.423 -11.503  -5.448
  522    HA   LYS  70           HA       LYS  70  -8.212 -12.592  -4.567
  523   1HB   LYS  70          2HB       LYS  70  -9.585 -10.907  -5.620
  524   2HB   LYS  70          1HB       LYS  70  -9.493 -11.736  -7.167
  525   1HG   LYS  70          1HG       LYS  70 -10.977 -13.373  -6.537
  526   2HG   LYS  70          2HG       LYS  70 -10.642 -13.161  -4.817
  527   1HD   LYS  70          2HD       LYS  70 -12.538 -11.984  -4.737
  528   2HD   LYS  70          1HD       LYS  70 -11.649 -10.709  -5.575
  529   1HE   LYS  70          2HE       LYS  70 -12.656 -12.764  -7.374
  530   2HE   LYS  70          1HE       LYS  70 -13.936 -11.954  -6.474
  531   1HZ   LYS  70          1HZ       LYS  70 -13.652 -10.687  -8.379
  532   2HZ   LYS  70          2HZ       LYS  70 -11.970 -10.788  -8.333
  Start of MODEL    9
    1    H    VAL   7           H        VAL   7  14.593   0.423  -0.505
    2    HA   VAL   7           HA       VAL   7  15.387   2.649  -2.196
    3    HB   VAL   7           HB       VAL   7  14.645   1.002  -4.194
    4   1HG1  VAL   7          1HG1      VAL   7  16.542   1.977  -4.826
    5   2HG1  VAL   7          2HG1      VAL   7  17.381   0.608  -4.095
    6   3HG1  VAL   7          3HG1      VAL   7  17.127   2.085  -3.165
    7   1HG2  VAL   7          1HG2      VAL   7  15.148  -1.180  -3.942
    8   2HG2  VAL   7          2HG2      VAL   7  14.874  -0.839  -2.233
    9   3HG2  VAL   7          3HG2      VAL   7  16.515  -0.852  -2.877
   10    H    ARG   8           H        ARG   8  13.633   2.943  -3.983
   11    HA   ARG   8           HA       ARG   8  10.996   2.029  -3.266
   12   1HB   ARG   8          2HB       ARG   8  10.054   4.208  -2.777
   13   2HB   ARG   8          1HB       ARG   8  11.374   3.883  -1.661
   14   1HG   ARG   8          1HG       ARG   8  12.637   5.192  -3.711
   15   2HG   ARG   8          2HG       ARG   8  11.069   6.000  -3.637
   16   1HD   ARG   8          2HD       ARG   8  12.456   5.489  -1.069
   17   2HD   ARG   8          1HD       ARG   8  13.140   6.726  -2.122
   18   1HH1  ARG   8          1HH2      ARG   8  12.118   7.873  -3.637
   19   2HH1  ARG   8          2HH2      ARG   8  11.139   9.295  -3.775
   20   1HH2  ARG   8          1HH1      ARG   8   9.510   8.823  -0.716
   21   2HH2  ARG   8          2HH1      ARG   8   9.656   9.835  -2.114
   22    H    CYS   9           H        CYS   9   9.330   2.943  -4.753
   23    HA   CYS   9           HA       CYS   9  10.418   3.026  -7.427
   24   1HB   CYS   9          2HB       CYS   9   8.049   2.078  -6.309
   25   2HB   CYS   9          1HB       CYS   9   7.560   3.479  -7.246
   26    H    THR  10           H        THR  10   8.409   4.592  -8.675
   27    HA   THR  10           HA       THR  10   8.975   7.283  -7.636
   28    HB   THR  10           HB       THR  10   9.155   7.951 -10.109
   29    HG1  THR  10           HG1      THR  10   9.779   6.299 -11.496
   30   1HG2  THR  10          1HG2      THR  10  11.247   6.411  -8.645
   31   2HG2  THR  10          2HG2      THR  10  11.162   8.138  -8.995
   32   3HG2  THR  10          3HG2      THR  10  11.541   6.995 -10.283
   33    H    CYS  11           H        CYS  11   6.785   7.111  -6.796
   34    HA   CYS  11           HA       CYS  11   4.765   7.604  -8.883
   35   1HB   CYS  11          2HB       CYS  11   4.431   6.272  -6.188
   36   2HB   CYS  11          1HB       CYS  11   3.085   6.769  -7.210
   37    H    ILE  12           H        ILE  12   3.925   9.578  -8.881
   38    HA   ILE  12           HA       ILE  12   4.704  11.681  -7.326
   39    HB   ILE  12           HB       ILE  12   1.920  11.407  -8.458
   40   1HG1  ILE  12          1HG1      ILE  12   3.413  10.866 -10.242
   41   2HG1  ILE  12          2HG1      ILE  12   2.949  12.548 -10.474
   42   1HG2  ILE  12          1HG2      ILE  12   2.611  13.348  -6.893
   43   2HG2  ILE  12          2HG2      ILE  12   1.771  13.716  -8.399
   44   3HG2  ILE  12          3HG2      ILE  12   3.517  13.929  -8.289
   45   1HD1  ILE  12          1HD1      ILE  12   5.289  12.314 -10.897
   46   2HD1  ILE  12          2HD1      ILE  12   5.540  11.530  -9.339
   47   3HD1  ILE  12          3HD1      ILE  12   5.074  13.230  -9.405
   48    H    SER  13           H        SER  13   1.876   9.609  -6.786
   49    HA   SER  13           HA       SER  13   1.968  10.279  -3.947
   50   1HB   SER  13          1HB       SER  13  -0.392  10.790  -3.812
   51   2HB   SER  13          2HB       SER  13   0.328  11.838  -5.034
   52    HG   SER  13           HG       SER  13  -1.616   9.965  -5.296
   53    H    ILE  14           H        ILE  14   0.791   8.755  -2.608
   54    HA   ILE  14           HA       ILE  14   0.281   6.188  -3.965
   55    HB   ILE  14           HB       ILE  14   1.022   5.183  -1.690
   56   1HG1  ILE  14          2HG1      ILE  14   2.684   7.703  -1.637
   57   2HG1  ILE  14          1HG1      ILE  14   1.213   7.530  -0.685
   58   1HG2  ILE  14          1HG2      ILE  14   3.480   5.385  -2.513
   59   2HG2  ILE  14          2HG2      ILE  14   2.758   6.224  -3.886
   60   3HG2  ILE  14          3HG2      ILE  14   2.286   4.565  -3.518
   61   1HD1  ILE  14          1HD1      ILE  14   3.851   6.216  -0.361
   62   2HD1  ILE  14          2HD1      ILE  14   2.406   5.330   0.126
   63   3HD1  ILE  14          3HD1      ILE  14   2.765   6.897   0.850
   64    H    SER  15           H        SER  15  -1.304   4.827  -3.021
   65    HA   SER  15           HA       SER  15  -3.347   6.324  -1.567
   66   1HB   SER  15          2HB       SER  15  -4.094   5.209  -3.594
   67   2HB   SER  15          1HB       SER  15  -3.474   3.663  -3.009
   68    HG   SER  15           HG       SER  15  -5.859   4.403  -2.712
   69    H    ASN  16           H        ASN  16  -1.297   5.772   0.087
   70    HA   ASN  16           HA       ASN  16  -1.987   3.349   1.568
   71   1HB   ASN  16          1HB       ASN  16   0.077   3.525   2.662
   72   2HB   ASN  16          2HB       ASN  16   0.431   4.091   1.034
   73   1HD2  ASN  16          1HD2      ASN  16   0.417   6.443   0.708
   74   2HD2  ASN  16          2HD2      ASN  16   0.979   7.453   1.992
   75    H    GLN  17           H        GLN  17  -3.613   5.900   1.382
   76    HA   GLN  17           HA       GLN  17  -3.635   6.774   4.169
   77   1HB   GLN  17          2HB       GLN  17  -4.574   8.723   3.438
   78   2HB   GLN  17          1HB       GLN  17  -3.777   8.242   1.955
   79   1HG   GLN  17          1HG       GLN  17  -5.930   7.211   1.219
   80   2HG   GLN  17          2HG       GLN  17  -6.691   7.958   2.623
   81   1HE2  GLN  17          2HE2      GLN  17  -6.391  10.335   2.809
   82   2HE2  GLN  17          1HE2      GLN  17  -6.446  11.265   1.354
   83    HA   PRO  18           HA       PRO  18  -7.354   5.039   5.775
   84   1HB   PRO  18          2HB       PRO  18  -8.945   7.335   4.684
   85   2HB   PRO  18          1HB       PRO  18  -9.055   6.545   6.263
   86   1HG   PRO  18          1HG       PRO  18  -7.746   8.844   6.003
   87   2HG   PRO  18          2HG       PRO  18  -7.124   7.561   7.055
   88   1HD   PRO  18          2HD       PRO  18  -6.149   8.488   4.420
   89   2HD   PRO  18          1HD       PRO  18  -5.253   7.730   5.746
   90    H    VAL  19           H        VAL  19  -7.521   6.175   2.448
   91    HA   VAL  19           HA       VAL  19  -9.615   4.213   1.879
   92    HB   VAL  19           HB       VAL  19  -9.188   5.281  -0.549
   93   1HG1  VAL  19          1HG2      VAL  19 -11.364   5.288   0.105
   94   2HG1  VAL  19          2HG2      VAL  19 -11.016   7.009   0.288
   95   3HG1  VAL  19          3HG2      VAL  19 -10.998   5.950   1.700
   96   1HG2  VAL  19          1HG1      VAL  19  -8.938   7.728  -0.290
   97   2HG2  VAL  19          2HG1      VAL  19  -7.478   6.830   0.126
   98   3HG2  VAL  19          3HG1      VAL  19  -8.511   7.477   1.402
   99    H    ASN  20           H        ASN  20  -7.855   2.619   2.462
  100    HA   ASN  20           HA       ASN  20  -5.793   2.067   0.567
  101   1HB   ASN  20          2HB       ASN  20  -6.989   0.665   2.911
  102   2HB   ASN  20          1HB       ASN  20  -6.051  -0.286   1.774
  103   1HD2  ASN  20          1HD2      ASN  20  -3.931   0.930   1.122
  104   2HD2  ASN  20          2HD2      ASN  20  -3.015   1.543   2.451
  105    HA   PRO  21           HA       PRO  21  -7.322  -0.204  -2.777
  106   1HB   PRO  21          1HB       PRO  21  -6.597  -2.782  -1.486
  107   2HB   PRO  21          2HB       PRO  21  -6.297  -2.207  -3.141
  108   1HG   PRO  21          2HG       PRO  21  -4.432  -2.124  -1.140
  109   2HG   PRO  21          1HG       PRO  21  -4.459  -1.004  -2.509
  110   1HD   PRO  21          2HD       PRO  21  -4.954  -0.479   0.290
  111   2HD   PRO  21          1HD       PRO  21  -4.760   0.666  -1.042
  112    H    ARG  22           H        ARG  22  -8.649  -1.113   0.364
  113    HA   ARG  22           HA       ARG  22 -10.680  -2.873  -0.213
  114   1HB   ARG  22          2HB       ARG  22 -10.740  -0.321   1.398
  115   2HB   ARG  22          1HB       ARG  22 -12.134  -1.386   1.291
  116   1HG   ARG  22          1HG       ARG  22  -9.808  -2.911   1.969
  117   2HG   ARG  22          2HG       ARG  22  -9.974  -1.543   3.070
  118   1HD   ARG  22          2HD       ARG  22 -12.540  -2.430   2.925
  119   2HD   ARG  22          1HD       ARG  22 -11.642  -3.939   2.767
  120   1HH1  ARG  22          2HH2      ARG  22 -11.914  -0.595   3.839
  121   2HH1  ARG  22          1HH2      ARG  22 -11.800   0.129   5.408
  122   1HH2  ARG  22          2HH1      ARG  22 -10.994  -2.855   7.044
  123   2HH2  ARG  22          1HH1      ARG  22 -11.276  -1.156   7.232
  124    H    SER  23           H        SER  23 -10.243   0.415  -1.148
  125    HA   SER  23           HA       SER  23 -12.490   0.396  -3.018
  126   1HB   SER  23          2HB       SER  23 -11.708   2.760  -3.444
  127   2HB   SER  23          1HB       SER  23 -12.190   2.484  -1.774
  128    HG   SER  23           HG       SER  23 -10.188   2.756  -1.143
  129    H    LEU  24           H        LEU  24 -11.865  -0.921  -4.721
  130    HA   LEU  24           HA       LEU  24  -9.321  -0.301  -6.056
  131   1HB   LEU  24          2HB       LEU  24  -8.628  -2.111  -4.584
  132   2HB   LEU  24          1HB       LEU  24  -9.921  -3.130  -5.177
  133    HG   LEU  24           HG       LEU  24  -7.927  -2.071  -7.118
  134   1HD1  LEU  24          1HD2      LEU  24  -6.186  -3.237  -6.345
  135   2HD1  LEU  24          2HD2      LEU  24  -7.184  -4.639  -5.966
  136   3HD1  LEU  24          3HD2      LEU  24  -7.060  -3.309  -4.817
  137   1HD2  LEU  24          1HD1      LEU  24  -9.632  -4.524  -6.838
  138   2HD2  LEU  24          2HD1      LEU  24  -8.310  -4.428  -8.001
  139   3HD2  LEU  24          3HD1      LEU  24  -9.660  -3.298  -8.104
  140    H    GLU  25           H        GLU  25  -9.296  -0.726  -8.270
  141    HA   GLU  25           HA       GLU  25 -11.602  -2.079  -9.455
  142   1HB   GLU  25          1HB       GLU  25 -11.923   0.543  -9.041
  143   2HB   GLU  25          2HB       GLU  25 -11.076   0.623 -10.571
  144   1HG   GLU  25          2HG       GLU  25 -13.423  -1.189 -10.283
  145   2HG   GLU  25          1HG       GLU  25 -13.668   0.542 -10.516
  146    H    LYS  26           H        LYS  26  -9.248   0.276 -10.709
  147    HA   LYS  26           HA       LYS  26  -8.403  -1.744 -12.665
  148   1HB   LYS  26          2HB       LYS  26  -7.647   1.133 -12.933
  149   2HB   LYS  26          1HB       LYS  26  -7.881  -0.080 -14.182
  150   1HG   LYS  26          2HG       LYS  26 -10.207   0.889 -12.574
  151   2HG   LYS  26          1HG       LYS  26  -9.595   1.832 -13.934
  152   1HD   LYS  26          2HD       LYS  26 -10.257  -1.082 -14.213
  153   2HD   LYS  26          1HD       LYS  26 -11.490   0.168 -14.390
  154   1HE   LYS  26          2HE       LYS  26 -10.146   1.220 -16.158
  155   2HE   LYS  26          1HE       LYS  26  -8.951  -0.066 -16.000
  156   1HZ   LYS  26          1HZ       LYS  26 -11.611  -0.132 -17.192
  157   2HZ   LYS  26          2HZ       LYS  26 -11.097  -1.523 -16.391
  158   1HN   MLE  27          1HM       LEM  27  -6.435  -3.950 -10.832
  159   2HN   MLE  27          2HM       LEM  27  -7.433  -3.244 -12.098
  160   3HN   MLE  27          3HM       LEM  27  -7.955  -3.165 -10.416
  161    HA   MLE  27           HA       LEM  27  -4.813  -0.996 -10.158
  162   1HB   MLE  27          1HB       LEM  27  -5.339  -3.532  -8.781
  163   2HB   MLE  27          2HB       LEM  27  -6.502  -2.275  -8.536
  164    HG   MLE  27           HG       LEM  27  -4.319  -2.744  -7.012
  165   1HD1  MLE  27          1HD1      LEM  27  -3.550  -0.464  -8.792
  166   2HD1  MLE  27          2HD1      LEM  27  -2.779  -2.047  -8.757
  167   3HD1  MLE  27          3HD1      LEM  27  -2.711  -1.004  -7.341
  168   1HD2  MLE  27          1HD2      LEM  27  -5.679  -1.421  -5.888
  169   2HD2  MLE  27          2HD2      LEM  27  -6.269  -0.621  -7.353
  170   3HD2  MLE  27          3HD2      LEM  27  -4.770  -0.085  -6.589
  171    H    GLU  28           H        GLU  28  -3.382  -1.331 -11.824
  172    HA   GLU  28           HA       GLU  28  -2.742  -4.046 -12.636
  173   1HB   GLU  28          2HB       GLU  28  -2.900  -2.165 -14.291
  174   2HB   GLU  28          1HB       GLU  28  -1.483  -1.449 -13.539
  175   1HG   GLU  28          1HG       GLU  28  -1.144  -2.786 -15.651
  176   2HG   GLU  28          2HG       GLU  28  -0.087  -3.157 -14.290
  177    H    ILE  29           H        ILE  29  -1.697  -5.023 -10.994
  178    HA   ILE  29           HA       ILE  29   0.454  -3.649  -9.621
  179    HB   ILE  29           HB       ILE  29   0.466  -5.484  -8.073
  180   1HG1  ILE  29          1HG1      ILE  29  -1.401  -7.284  -8.500
  181   2HG1  ILE  29          2HG1      ILE  29  -1.192  -6.818 -10.185
  182   1HG2  ILE  29          1HG2      ILE  29  -1.257  -3.758  -7.825
  183   2HG2  ILE  29          2HG2      ILE  29  -1.799  -5.322  -7.214
  184   3HG2  ILE  29          3HG2      ILE  29  -2.368  -4.739  -8.778
  185   1HD1  ILE  29          1HD1      ILE  29   0.591  -8.106 -10.350
  186   2HD1  ILE  29          2HD1      ILE  29   0.321  -8.646  -8.692
  187   3HD1  ILE  29          3HD1      ILE  29   1.370  -7.261  -9.011
  188    H    ILE  30           H        ILE  30   2.544  -4.089  -9.740
  189    HA   ILE  30           HA       ILE  30   3.432  -6.328 -11.424
  190    HB   ILE  30           HB       ILE  30   5.321  -4.118 -11.452
  191   1HG1  ILE  30          1HG1      ILE  30   2.734  -3.636 -12.942
  192   2HG1  ILE  30          2HG1      ILE  30   3.119  -2.851 -11.414
  193   1HG2  ILE  30          1HG2      ILE  30   4.487  -6.285 -13.066
  194   2HG2  ILE  30          2HG2      ILE  30   5.887  -5.235 -13.279
  195   3HG2  ILE  30          3HG2      ILE  30   4.348  -4.815 -14.029
  196   1HD1  ILE  30          1HD1      ILE  30   4.009  -2.235 -14.101
  197   2HD1  ILE  30          2HD1      ILE  30   5.344  -2.362 -12.954
  198   3HD1  ILE  30          3HD1      ILE  30   4.019  -1.240 -12.644
  199    HA   PRO  31           HA       PRO  31   6.074  -7.114  -7.992
  200   1HB   PRO  31          2HB       PRO  31   7.943  -8.687  -9.100
  201   2HB   PRO  31          1HB       PRO  31   6.250  -9.184  -9.004
  202   1HG   PRO  31          1HG       PRO  31   7.817  -8.247 -11.339
  203   2HG   PRO  31          2HG       PRO  31   6.438  -9.356 -11.280
  204   1HD   PRO  31          1HD       PRO  31   6.405  -6.597 -11.945
  205   2HD   PRO  31          2HD       PRO  31   5.004  -7.664 -11.728
  206    H    ALA  32           H        ALA  32   6.852  -4.957  -7.579
  207    HA   ALA  32           HA       ALA  32   9.283  -4.068  -8.848
  208   1HB   ALA  32          1HB       ALA  32   8.980  -2.070  -7.790
  209   2HB   ALA  32          2HB       ALA  32   8.352  -2.814  -6.320
  210   3HB   ALA  32          3HB       ALA  32   7.318  -2.666  -7.741
  211    H    SER  33           H        SER  33  11.324  -4.003  -7.949
  212    HA   SER  33           HA       SER  33  11.796  -4.954  -5.270
  213   1HB   SER  33          2HB       SER  33  11.774  -6.843  -7.370
  214   2HB   SER  33          1HB       SER  33  13.468  -6.583  -6.950
  215    HG   SER  33           HG       SER  33  12.310  -8.231  -5.706
  216    H    GLN  34           H        GLN  34  13.697  -4.906  -8.278
  217    HA   GLN  34           HA       GLN  34  16.091  -4.071  -7.322
  218   1HB   GLN  34          2HB       GLN  34  15.885  -4.652  -9.623
  219   2HB   GLN  34          1HB       GLN  34  14.726  -3.364  -9.916
  220   1HG   GLN  34          1HG       GLN  34  16.341  -1.729  -9.970
  221   2HG   GLN  34          2HG       GLN  34  17.476  -2.672  -9.003
  222   1HE2  GLN  34          2HE2      GLN  34  15.969  -2.424 -12.171
  223   2HE2  GLN  34          1HE2      GLN  34  17.239  -3.207 -13.041
  224    H    PHE  35           H        PHE  35  14.150  -1.658  -9.031
  225    HA   PHE  35           HA       PHE  35  15.372   0.467  -7.542
  226   1HB   PHE  35          1HB       PHE  35  14.230   0.223 -10.046
  227   2HB   PHE  35          2HB       PHE  35  13.038   1.171  -9.165
  228    HD1  PHE  35           HD1      PHE  35  13.757   3.320  -8.084
  229    HD2  PHE  35           HD2      PHE  35  16.237   1.171 -10.794
  230    HE1  PHE  35           HE1      PHE  35  15.114   5.341  -8.438
  231    HE2  PHE  35           HE2      PHE  35  17.598   3.189 -11.154
  232    HZ   PHE  35           HZ       PHE  35  17.037   5.277  -9.974
  233    H    CYS  36           H        CYS  36  12.376  -1.276  -7.401
  234    HA   CYS  36           HA       CYS  36  11.563   0.370  -5.105
  235   1HB   CYS  36          2HB       CYS  36   9.240  -0.638  -6.498
  236   2HB   CYS  36          1HB       CYS  36   9.630   1.009  -6.050
  237    HA   PRO  37           HA       PRO  37  11.335  -3.945  -3.689
  238   1HB   PRO  37          1HB       PRO  37  11.559  -3.460  -1.078
  239   2HB   PRO  37          2HB       PRO  37  12.954  -3.228  -2.147
  240   1HG   PRO  37          1HG       PRO  37  10.951  -1.180  -1.210
  241   2HG   PRO  37          2HG       PRO  37  12.721  -1.119  -1.063
  242   1HD   PRO  37          2HD       PRO  37  11.436   0.123  -3.063
  243   2HD   PRO  37          1HD       PRO  37  12.998  -0.681  -3.338
  244    H    ARG  38           H        ARG  38   8.978  -3.293  -4.565
  245    HA   ARG  38           HA       ARG  38   7.137  -4.082  -2.544
  246   1HB   ARG  38          1HB       ARG  38   7.591  -1.316  -2.728
  247   2HB   ARG  38          2HB       ARG  38   6.056  -1.592  -3.538
  248   1HG   ARG  38          1HG       ARG  38   5.217  -1.385  -1.472
  249   2HG   ARG  38          2HG       ARG  38   5.701  -3.074  -1.316
  250   1HD   ARG  38          1HD       ARG  38   6.404  -1.545   0.564
  251   2HD   ARG  38          2HD       ARG  38   7.685  -2.505  -0.173
  252   1HH1  ARG  38          2HH2      ARG  38   8.265  -1.264   1.711
  253   2HH1  ARG  38          1HH2      ARG  38   9.372   0.008   2.106
  254   1HH2  ARG  38          2HH1      ARG  38   9.078   1.615  -0.986
  255   2HH2  ARG  38          1HH1      ARG  38   9.835   1.646   0.571
  256    H    VAL  39           H        VAL  39   4.783  -3.049  -3.744
  257    HA   VAL  39           HA       VAL  39   4.765  -4.591  -6.228
  258    HB   VAL  39           HB       VAL  39   2.260  -3.378  -5.136
  259   1HG1  VAL  39          1HG1      VAL  39   2.654  -4.774  -7.319
  260   2HG1  VAL  39          2HG1      VAL  39   1.206  -5.011  -6.341
  261   3HG1  VAL  39          3HG1      VAL  39   2.555  -6.140  -6.208
  262   1HG2  VAL  39          1HG2      VAL  39   3.603  -4.561  -3.261
  263   2HG2  VAL  39          2HG2      VAL  39   3.205  -6.043  -4.127
  264   3HG2  VAL  39          3HG2      VAL  39   1.918  -5.012  -3.507
  265    H    GLU  40           H        GLU  40   4.669  -3.597  -8.182
  266    HA   GLU  40           HA       GLU  40   4.625  -0.685  -8.196
  267   1HB   GLU  40          1HB       GLU  40   5.539  -2.804 -10.042
  268   2HB   GLU  40          2HB       GLU  40   4.811  -1.407 -10.825
  269   1HG   GLU  40          1HG       GLU  40   6.460   0.028 -10.112
  270   2HG   GLU  40          2HG       GLU  40   6.910  -0.998  -8.751
  271    H    ILE  41           H        ILE  41   2.931   0.530  -8.955
  272    HA   ILE  41           HA       ILE  41   0.672  -0.966 -10.056
  273    HB   ILE  41           HB       ILE  41   0.850   0.356  -7.394
  274   1HG1  ILE  41          2HG1      ILE  41  -0.882  -1.600  -7.053
  275   2HG1  ILE  41          1HG1      ILE  41  -0.205  -2.172  -8.573
  276   1HG2  ILE  41          1HG2      ILE  41  -1.617   0.521  -7.234
  277   2HG2  ILE  41          2HG2      ILE  41  -1.713   0.242  -8.975
  278   3HG2  ILE  41          3HG2      ILE  41  -0.915   1.677  -8.357
  279   1HD1  ILE  41          1HD1      ILE  41   1.975  -1.483  -6.971
  280   2HD1  ILE  41          2HD1      ILE  41   1.433  -3.098  -7.426
  281   3HD1  ILE  41          3HD1      ILE  41   0.856  -2.360  -5.933
  282    H    ILE  42           H        ILE  42  -0.878   0.049 -11.033
  283    HA   ILE  42           HA       ILE  42  -0.915   2.961 -11.206
  284    HB   ILE  42           HB       ILE  42  -1.608   1.229 -13.578
  285   1HG1  ILE  42          2HG1      ILE  42   0.572   3.012 -14.099
  286   2HG1  ILE  42          1HG1      ILE  42   0.975   2.033 -12.691
  287   1HG2  ILE  42          1HG2      ILE  42  -2.809   3.074 -14.009
  288   2HG2  ILE  42          2HG2      ILE  42  -1.255   3.786 -14.450
  289   3HG2  ILE  42          3HG2      ILE  42  -1.918   4.043 -12.833
  290   1HD1  ILE  42          1HD1      ILE  42  -0.165   0.564 -14.963
  291   2HD1  ILE  42          2HD1      ILE  42   1.178   0.154 -13.895
  292   3HD1  ILE  42          3HD1      ILE  42   1.425   1.282 -15.228
  293    H    ALA  43           H        ALA  43  -2.370   2.649  -9.496
  294    HA   ALA  43           HA       ALA  43  -4.570   0.839  -9.761
  295   1HB   ALA  43          1HB       ALA  43  -3.795   2.795  -7.604
  296   2HB   ALA  43          2HB       ALA  43  -3.434   1.069  -7.658
  297   3HB   ALA  43          3HB       ALA  43  -5.100   1.613  -7.472
  298    H    THR  44           H        THR  44  -6.690   1.270  -9.436
  299    HA   THR  44           HA       THR  44  -7.730   3.951  -9.518
  300    HB   THR  44           HB       THR  44  -8.734   1.944 -11.535
  301    HG1  THR  44           HG1      THR  44  -6.698   2.662 -12.192
  302   1HG2  THR  44          1HG2      THR  44  -9.241   4.793 -11.906
  303   2HG2  THR  44          2HG2      THR  44 -10.039   4.071 -10.504
  304   3HG2  THR  44          3HG2      THR  44 -10.309   3.405 -12.120
  305    H    MET  45           H        MET  45  -9.148   3.964  -7.897
  306    HA   MET  45           HA       MET  45  -9.918   1.437  -6.783
  307   1HB   MET  45          2HB       MET  45 -10.786   4.100  -5.725
  308   2HB   MET  45          1HB       MET  45 -10.481   2.610  -4.849
  309   1HG   MET  45          1HG       MET  45  -8.534   4.595  -5.910
  310   2HG   MET  45          2HG       MET  45  -8.707   3.953  -4.279
  311   1HE   MET  45          1HE       MET  45  -6.452   4.550  -6.262
  312   2HE   MET  45          2HE       MET  45  -6.105   3.294  -7.449
  313   3HE   MET  45          3HE       MET  45  -5.250   3.310  -5.908
  314    H    LYS  46           H        LYS  46 -11.848   0.611  -6.451
  315    HA   LYS  46           HA       LYS  46 -14.159   1.819  -7.786
  316   1HB   LYS  46          1HB       LYS  46 -13.346  -0.646  -8.303
  317   2HB   LYS  46          2HB       LYS  46 -14.165  -1.006  -6.794
  318   1HG   LYS  46          2HG       LYS  46 -15.878   0.606  -8.398
  319   2HG   LYS  46          1HG       LYS  46 -15.274  -0.735  -9.375
  320   1HD   LYS  46          1HD       LYS  46 -16.699  -2.111  -8.372
  321   2HD   LYS  46          2HD       LYS  46 -15.955  -1.754  -6.812
  322   1HE   LYS  46          1HE       LYS  46 -18.253  -1.242  -6.591
  323   2HE   LYS  46          2HE       LYS  46 -17.408   0.300  -6.719
  324   1HZ   LYS  46          1HZ       LYS  46 -19.323   0.386  -8.086
  325   2HZ   LYS  46          2HZ       LYS  46 -18.961  -1.086  -8.824
  326    H    LYS  47           H        LYS  47 -15.103   3.017  -6.363
  327    HA   LYS  47           HA       LYS  47 -16.428   2.358  -4.083
  328   1HB   LYS  47          1HB       LYS  47 -13.550   2.483  -3.660
  329   2HB   LYS  47          2HB       LYS  47 -14.456   3.530  -2.592
  330   1HG   LYS  47          2HG       LYS  47 -15.107   0.625  -2.904
  331   2HG   LYS  47          1HG       LYS  47 -13.941   1.230  -1.726
  332   1HD   LYS  47          1HD       LYS  47 -16.809   2.144  -1.909
  333   2HD   LYS  47          2HD       LYS  47 -16.230   0.894  -0.805
  334   1HE   LYS  47          1HE       LYS  47 -14.502   2.779  -0.142
  335   2HE   LYS  47          2HE       LYS  47 -15.772   3.833  -0.764
  336   1HZ   LYS  47          1HZ       LYS  47 -17.223   2.277   0.769
  337   2HZ   LYS  47          2HZ       LYS  47 -15.764   2.122   1.596
  338    H    LYS  48           H        LYS  48 -14.209   4.559  -5.591
  339    HA   LYS  48           HA       LYS  48 -16.095   6.724  -5.449
  340   1HB   LYS  48          1HB       LYS  48 -14.867   6.663  -3.245
  341   2HB   LYS  48          2HB       LYS  48 -13.400   7.058  -4.137
  342   1HG   LYS  48          1HG       LYS  48 -14.516   9.117  -4.954
  343   2HG   LYS  48          2HG       LYS  48 -15.877   8.748  -3.893
  344   1HD   LYS  48          1HD       LYS  48 -13.687   8.541  -2.227
  345   2HD   LYS  48          2HD       LYS  48 -13.282   9.908  -3.269
  346   1HE   LYS  48          1HE       LYS  48 -15.237  11.083  -2.650
  347   2HE   LYS  48          2HE       LYS  48 -15.941   9.657  -1.889
  348   1HZ   LYS  48          1HZ       LYS  48 -14.429   9.783  -0.121
  349   2HZ   LYS  48          2HZ       LYS  48 -13.438  10.889  -0.916
  350    H    GLY  49           H        GLY  49 -14.511   5.090  -7.422
  351   1HA   GLY  49          2HA       GLY  49 -13.201   5.374  -9.302
  352   2HA   GLY  49          1HA       GLY  49 -14.153   6.841  -9.457
  353    H    GLU  50           H        GLU  50 -11.274   5.584  -7.778
  354    HA   GLU  50           HA       GLU  50 -10.039   8.230  -8.202
  355   1HB   GLU  50          1HB       GLU  50 -10.632   7.144  -5.771
  356   2HB   GLU  50          2HB       GLU  50  -8.974   6.603  -5.992
  357   1HG   GLU  50          1HG       GLU  50  -8.554   8.578  -4.987
  358   2HG   GLU  50          2HG       GLU  50  -8.637   9.151  -6.652
  359    H    LYS  51           H        LYS  51  -8.478   8.125  -9.666
  360    HA   LYS  51           HA       LYS  51  -6.972   5.644 -10.040
  361   1HB   LYS  51          1HB       LYS  51  -6.586   8.134 -11.672
  362   2HB   LYS  51          2HB       LYS  51  -6.335   6.458 -12.139
  363   1HG   LYS  51          2HG       LYS  51  -8.336   6.458 -13.076
  364   2HG   LYS  51          1HG       LYS  51  -9.058   6.697 -11.485
  365   1HD   LYS  51          1HD       LYS  51  -9.893   8.538 -12.537
  366   2HD   LYS  51          2HD       LYS  51  -8.365   9.212 -11.965
  367   1HE   LYS  51          1HE       LYS  51  -8.821   8.029 -14.701
  368   2HE   LYS  51          2HE       LYS  51  -8.833   9.753 -14.330
  369   1HZ   LYS  51          1HZ       LYS  51  -6.681   9.670 -14.794
  370   2HZ   LYS  51          2HZ       LYS  51  -6.620   7.988 -14.725
  371    H    ARG  52           H        ARG  52  -5.010   5.367  -9.187
  372    HA   ARG  52           HA       ARG  52  -3.279   7.661  -8.704
  373   1HB   ARG  52          1HB       ARG  52  -4.825   7.155  -6.688
  374   2HB   ARG  52          2HB       ARG  52  -3.818   5.728  -6.461
  375   1HG   ARG  52          1HG       ARG  52  -2.117   6.916  -5.616
  376   2HG   ARG  52          2HG       ARG  52  -2.324   8.231  -6.778
  377   1HD   ARG  52          2HD       ARG  52  -2.760   8.719  -4.292
  378   2HD   ARG  52          1HD       ARG  52  -3.935   9.292  -5.477
  379   1HH1  ARG  52          2HH1      ARG  52  -4.110   9.823  -3.095
  380   2HH1  ARG  52          1HH1      ARG  52  -5.284   9.583  -1.845
  381   1HH2  ARG  52          1HH2      ARG  52  -6.377   6.493  -3.063
  382   2HH2  ARG  52          2HH2      ARG  52  -6.573   7.689  -1.826
  383    H    CYS  53           H        CYS  53  -1.107   7.063  -8.064
  384    HA   CYS  53           HA       CYS  53  -0.283   4.466  -9.156
  385   1HB   CYS  53          2HB       CYS  53   0.855   6.587  -9.941
  386   2HB   CYS  53          1HB       CYS  53   1.487   6.772  -8.310
  387    H    LEU  54           H        LEU  54   0.439   2.882  -7.773
  388    HA   LEU  54           HA       LEU  54   0.690   3.670  -4.948
  389   1HB   LEU  54          2HB       LEU  54  -0.462   1.030  -5.757
  390   2HB   LEU  54          1HB       LEU  54  -0.619   1.877  -4.233
  391    HG   LEU  54           HG       LEU  54  -2.057   2.410  -6.819
  392   1HD1  LEU  54          1HD1      LEU  54  -2.707   1.347  -4.160
  393   2HD1  LEU  54          2HD1      LEU  54  -3.473   1.056  -5.720
  394   3HD1  LEU  54          3HD1      LEU  54  -3.865   2.510  -4.804
  395   1HD2  LEU  54          1HD2      LEU  54  -1.187   4.358  -4.895
  396   2HD2  LEU  54          2HD2      LEU  54  -2.947   4.247  -4.913
  397   3HD2  LEU  54          3HD2      LEU  54  -2.072   4.588  -6.403
  398    H    ASN  55           H        ASN  55   1.767   2.162  -3.558
  399    HA   ASN  55           HA       ASN  55   3.546   0.219  -4.746
  400   1HB   ASN  55          1HB       ASN  55   4.863   2.282  -4.939
  401   2HB   ASN  55          2HB       ASN  55   4.625   2.601  -3.223
  402   1HD2  ASN  55          1HD2      ASN  55   6.160   0.501  -5.557
  403   2HD2  ASN  55          2HD2      ASN  55   7.351  -0.140  -4.483
  404    HA   PRO  56           HA       PRO  56   1.101  -1.023  -0.924
  405   1HB   PRO  56          1HB       PRO  56   2.648  -3.303  -2.153
  406   2HB   PRO  56          2HB       PRO  56   1.149  -3.389  -1.220
  407   1HG   PRO  56          1HG       PRO  56   1.012  -3.296  -3.857
  408   2HG   PRO  56          2HG       PRO  56  -0.094  -2.312  -2.886
  409   1HD   PRO  56          2HD       PRO  56   2.185  -1.434  -4.551
  410   2HD   PRO  56          1HD       PRO  56   0.785  -0.510  -3.973
  411    H    GLU  57           H        GLU  57   2.493   0.341   0.320
  412    HA   GLU  57           HA       GLU  57   4.666  -1.147   1.634
  413   1HB   GLU  57          2HB       GLU  57   5.408   1.158   2.423
  414   2HB   GLU  57          1HB       GLU  57   5.629   0.808   0.715
  415   1HG   GLU  57          1HG       GLU  57   4.460   2.602   0.178
  416   2HG   GLU  57          2HG       GLU  57   3.059   1.976   1.050
  417    H    SER  58           H        SER  58   1.596   0.368   2.020
  418    HA   SER  58           HA       SER  58   1.710   0.704   4.861
  419   1HB   SER  58          1HB       SER  58   0.073   1.576   2.759
  420   2HB   SER  58          2HB       SER  58  -0.972   0.586   3.767
  421    HG   SER  58           HG       SER  58  -0.740   2.912   4.324
  422    H    LYS  59           H        LYS  59  -0.768  -0.187   5.680
  423    HA   LYS  59           HA       LYS  59  -0.280  -3.025   6.033
  424   1HB   LYS  59          1HB       LYS  59  -2.119  -1.047   7.299
  425   2HB   LYS  59          2HB       LYS  59  -2.339  -2.771   7.525
  426   1HG   LYS  59          2HG       LYS  59  -0.225  -2.997   8.576
  427   2HG   LYS  59          1HG       LYS  59   0.231  -1.351   8.137
  428   1HD   LYS  59          1HD       LYS  59  -1.849  -0.663   9.516
  429   2HD   LYS  59          2HD       LYS  59  -1.721  -2.282  10.208
  430   1HE   LYS  59          2HE       LYS  59   0.156  -1.788  11.362
  431   2HE   LYS  59          1HE       LYS  59   0.783  -0.733  10.095
  432   1HZ   LYS  59          1HZ       LYS  59  -1.358   0.627  10.998
  433   2HZ   LYS  59          2HZ       LYS  59  -0.795  -0.091  12.414
  434    H    ALA  60           H        ALA  60  -3.397  -1.360   5.636
  435    HA   ALA  60           HA       ALA  60  -4.739  -3.456   4.387
  436   1HB   ALA  60          1HB       ALA  60  -6.210  -1.848   5.038
  437   2HB   ALA  60          2HB       ALA  60  -6.068  -1.424   3.333
  438   3HB   ALA  60          3HB       ALA  60  -5.155  -0.526   4.542
  439    H    ILE  61           H        ILE  61  -2.372  -1.275   3.179
  440    HA   ILE  61           HA       ILE  61  -2.725  -1.247   0.466
  441    HB   ILE  61           HB       ILE  61  -0.726  -0.653   2.327
  442   1HG1  ILE  61          1HG1      ILE  61  -1.148   0.972   0.762
  443   2HG1  ILE  61          2HG1      ILE  61   0.420   0.376   0.238
  444   1HG2  ILE  61          1HG2      ILE  61   1.356  -1.433   1.387
  445   2HG2  ILE  61          2HG2      ILE  61   0.476  -2.418   0.232
  446   3HG2  ILE  61          3HG2      ILE  61   0.370  -2.769   1.952
  447   1HD1  ILE  61          1HD1      ILE  61  -2.196   0.218  -1.071
  448   2HD1  ILE  61          2HD1      ILE  61  -1.170  -1.210  -1.212
  449   3HD1  ILE  61          3HD1      ILE  61  -0.578   0.356  -1.763
  450    H    LYS  62           H        LYS  62  -1.525  -3.795   2.568
  451    HA   LYS  62           HA       LYS  62  -0.606  -5.652   0.680
  452   1HB   LYS  62          1HB       LYS  62  -1.127  -5.625   3.469
  453   2HB   LYS  62          2HB       LYS  62  -1.985  -7.007   2.806
  454   1HG   LYS  62          2HG       LYS  62  -0.058  -8.097   3.003
  455   2HG   LYS  62          1HG       LYS  62   0.465  -7.183   1.588
  456   1HD   LYS  62          1HD       LYS  62   2.160  -6.574   2.953
  457   2HD   LYS  62          2HD       LYS  62   0.987  -5.385   3.522
  458   1HE   LYS  62          2HE       LYS  62   1.533  -8.081   4.758
  459   2HE   LYS  62          1HE       LYS  62   2.054  -6.521   5.394
  460   1HZ   LYS  62          1HZ       LYS  62  -0.006  -7.534   6.396
  461   2HZ   LYS  62          2HZ       LYS  62  -0.790  -7.185   4.947
  462    H    ASN  63           H        ASN  63  -3.794  -4.781   1.787
  463    HA   ASN  63           HA       ASN  63  -5.296  -6.832   0.589
  464   1HB   ASN  63          1HB       ASN  63  -6.074  -4.962   2.213
  465   2HB   ASN  63          2HB       ASN  63  -6.252  -3.982   0.761
  466   1HD2  ASN  63          2HD2      ASN  63  -8.370  -4.617   2.437
  467   2HD2  ASN  63          1HD2      ASN  63  -9.469  -5.639   1.581
  468    H    LEU  64           H        LEU  64  -3.806  -3.878  -0.624
  469    HA   LEU  64           HA       LEU  64  -4.946  -3.595  -3.122
  470   1HB   LEU  64          2HB       LEU  64  -2.958  -2.214  -2.343
  471   2HB   LEU  64          1HB       LEU  64  -1.946  -3.575  -2.724
  472    HG   LEU  64           HG       LEU  64  -3.426  -3.149  -5.056
  473   1HD1  LEU  64          1HD1      LEU  64  -2.859  -0.588  -3.675
  474   2HD1  LEU  64          2HD1      LEU  64  -4.229  -1.070  -4.682
  475   3HD1  LEU  64          3HD1      LEU  64  -2.676  -0.689  -5.428
  476   1HD2  LEU  64          1HD2      LEU  64  -0.822  -3.582  -4.402
  477   2HD2  LEU  64          2HD2      LEU  64  -0.745  -1.900  -4.920
  478   3HD2  LEU  64          3HD2      LEU  64  -1.377  -3.132  -6.009
  479    H    LEU  65           H        LEU  65  -2.005  -5.448  -2.566
  480    HA   LEU  65           HA       LEU  65  -2.179  -6.831  -5.008
  481   1HB   LEU  65          2HB       LEU  65  -0.202  -6.525  -3.309
  482   2HB   LEU  65          1HB       LEU  65  -0.792  -8.034  -2.640
  483    HG   LEU  65           HG       LEU  65  -0.464  -9.129  -4.819
  484   1HD1  LEU  65          1HD1      LEU  65  -0.004  -6.361  -5.653
  485   2HD1  LEU  65          2HD1      LEU  65  -0.533  -7.759  -6.591
  486   3HD1  LEU  65          3HD1      LEU  65   1.182  -7.514  -6.264
  487   1HD2  LEU  65          1HD2      LEU  65   2.193  -8.228  -4.727
  488   2HD2  LEU  65          2HD2      LEU  65   1.506  -9.651  -3.945
  489   3HD2  LEU  65          3HD2      LEU  65   1.573  -8.116  -3.080
  490    H    LYS  66           H        LYS  66  -3.811  -7.376  -2.033
  491    HA   LYS  66           HA       LYS  66  -4.320 -10.170  -2.495
  492   1HB   LYS  66          1HB       LYS  66  -4.542  -8.436  -0.312
  493   2HB   LYS  66          2HB       LYS  66  -6.192  -8.912  -0.687
  494   1HG   LYS  66          1HG       LYS  66  -5.757 -11.171  -0.306
  495   2HG   LYS  66          2HG       LYS  66  -4.010 -10.948  -0.431
  496   1HD   LYS  66          2HD       LYS  66  -4.979  -9.284   1.664
  497   2HD   LYS  66          1HD       LYS  66  -5.632 -10.907   1.895
  498   1HE   LYS  66          1HE       LYS  66  -2.749 -10.621   1.219
  499   2HE   LYS  66          2HE       LYS  66  -3.271 -10.219   2.854
  500   1HZ   LYS  66          1HZ       LYS  66  -3.107 -12.371   3.267
  501   2HZ   LYS  66          2HZ       LYS  66  -2.940 -12.769   1.640
  502    H    ALA  67           H        ALA  67  -6.507  -7.355  -2.310
  503    HA   ALA  67           HA       ALA  67  -8.747  -8.618  -3.426
  504   1HB   ALA  67          1HB       ALA  67  -8.172  -5.701  -3.817
  505   2HB   ALA  67          2HB       ALA  67  -8.587  -6.349  -2.230
  506   3HB   ALA  67          3HB       ALA  67  -9.725  -6.501  -3.570
  507    H    VAL  68           H        VAL  68  -6.110  -6.805  -4.867
  508    HA   VAL  68           HA       VAL  68  -6.880  -6.615  -7.503
  509    HB   VAL  68           HB       VAL  68  -4.302  -6.822  -6.068
  510   1HG1  VAL  68          1HG1      VAL  68  -4.556  -7.560  -8.917
  511   2HG1  VAL  68          2HG1      VAL  68  -3.326  -8.012  -7.738
  512   3HG1  VAL  68          3HG1      VAL  68  -3.266  -6.430  -8.512
  513   1HG2  VAL  68          1HG2      VAL  68  -5.839  -4.835  -7.472
  514   2HG2  VAL  68          2HG2      VAL  68  -4.118  -4.777  -7.846
  515   3HG2  VAL  68          3HG2      VAL  68  -4.658  -4.652  -6.177
  516    H    SER  69           H        SER  69  -4.909  -9.213  -6.076
  517    HA   SER  69           HA       SER  69  -5.229 -10.898  -8.379
  518   1HB   SER  69          2HB       SER  69  -3.124 -11.019  -7.266
  519   2HB   SER  69          1HB       SER  69  -3.891 -11.267  -5.697
  520    HG   SER  69           HG       SER  69  -3.487 -13.069  -7.793
  521    H    LYS  70           H        LYS  70  -5.708 -11.842  -4.992
  522    HA   LYS  70           HA       LYS  70  -7.402 -12.953  -3.942
  523   1HB   LYS  70          1HB       LYS  70  -8.768 -11.313  -5.587
  524   2HB   LYS  70          2HB       LYS  70  -9.255 -12.864  -6.256
  525   1HG   LYS  70          1HG       LYS  70  -9.548 -12.036  -3.375
  526   2HG   LYS  70          2HG       LYS  70 -10.836 -12.048  -4.583
  527   1HD   LYS  70          2HD       LYS  70 -10.714 -14.422  -4.800
  528   2HD   LYS  70          1HD       LYS  70  -9.249 -14.491  -3.817
  529   1HE   LYS  70          1HE       LYS  70 -10.881 -13.281  -2.076
  530   2HE   LYS  70          2HE       LYS  70 -12.076 -14.190  -3.001
  531   1HZ   LYS  70          1HZ       LYS  70 -11.475 -15.638  -1.334
  532   2HZ   LYS  70          2HZ       LYS  70  -9.852 -15.190  -1.361
  Start of MODEL   10
    1    H    VAL   7           H        VAL   7  16.101   4.073  -1.620
    2    HA   VAL   7           HA       VAL   7  14.896   3.265  -4.042
    3    HB   VAL   7           HB       VAL   7  14.576   1.968  -2.018
    4   1HG1  VAL   7          1HG2      VAL   7  14.576   3.514  -0.268
    5   2HG1  VAL   7          2HG2      VAL   7  13.301   4.486  -1.003
    6   3HG1  VAL   7          3HG2      VAL   7  12.918   2.913  -0.304
    7   1HG2  VAL   7          1HG1      VAL   7  12.419   1.324  -2.441
    8   2HG2  VAL   7          2HG1      VAL   7  11.828   2.981  -2.547
    9   3HG2  VAL   7          3HG1      VAL   7  12.742   2.284  -3.883
   10    H    ARG   8           H        ARG   8  13.204   4.057  -5.198
   11    HA   ARG   8           HA       ARG   8  11.521   6.150  -4.208
   12   1HB   ARG   8          1HB       ARG   8  13.912   6.953  -5.431
   13   2HB   ARG   8          2HB       ARG   8  12.676   7.160  -6.664
   14   1HG   ARG   8          1HG       ARG   8  11.358   8.505  -5.076
   15   2HG   ARG   8          2HG       ARG   8  12.663   8.343  -3.898
   16   1HD   ARG   8          1HD       ARG   8  13.768  10.029  -4.820
   17   2HD   ARG   8          2HD       ARG   8  13.736   9.234  -6.394
   18   1HH1  ARG   8          1HH2      ARG   8  14.520  11.503  -6.164
   19   2HH1  ARG   8          2HH2      ARG   8  14.090  13.052  -6.806
   20   1HH2  ARG   8          2HH1      ARG   8  10.660  12.377  -6.912
   21   2HH2  ARG   8          1HH1      ARG   8  11.894  13.550  -7.233
   22    H    CYS   9           H        CYS   9   9.634   5.358  -4.878
   23    HA   CYS   9           HA       CYS   9   9.448   3.756  -7.247
   24   1HB   CYS   9          2HB       CYS   9   7.078   4.810  -5.733
   25   2HB   CYS   9          1HB       CYS   9   7.243   3.303  -6.631
   26    H    THR  10           H        THR  10   6.861   4.539  -8.135
   27    HA   THR  10           HA       THR  10   7.330   7.204  -9.254
   28    HB   THR  10           HB       THR  10   6.723   6.279 -11.479
   29    HG1  THR  10           HG1      THR  10   6.281   4.234 -11.737
   30   1HG2  THR  10          1HG2      THR  10   8.853   4.712 -11.617
   31   2HG2  THR  10          2HG2      THR  10   8.977   6.468 -11.506
   32   3HG2  THR  10          3HG2      THR  10   9.184   5.475 -10.061
   33    H    CYS  11           H        CYS  11   5.604   7.640  -7.632
   34    HA   CYS  11           HA       CYS  11   2.999   7.439  -8.913
   35   1HB   CYS  11          2HB       CYS  11   3.258   6.646  -6.017
   36   2HB   CYS  11          1HB       CYS  11   1.872   6.449  -7.084
   37    H    ILE  12           H        ILE  12   1.460   8.360  -6.779
   38    HA   ILE  12           HA       ILE  12   2.565  11.064  -6.418
   39    HB   ILE  12           HB       ILE  12  -0.341  10.249  -6.387
   40   1HG1  ILE  12          2HG1      ILE  12   0.386  12.016  -8.533
   41   2HG1  ILE  12          1HG1      ILE  12   1.414  10.586  -8.582
   42   1HG2  ILE  12          1HG2      ILE  12   0.435  12.284  -5.056
   43   2HG2  ILE  12          2HG2      ILE  12   0.765  13.028  -6.620
   44   3HG2  ILE  12          3HG2      ILE  12  -0.875  12.522  -6.212
   45   1HD1  ILE  12          1HD1      ILE  12  -1.561  10.363  -8.340
   46   2HD1  ILE  12          2HD1      ILE  12  -0.761  10.539  -9.903
   47   3HD1  ILE  12          3HD1      ILE  12  -0.396   9.151  -8.875
   48    H    SER  13           H        SER  13  -0.033   9.250  -4.772
   49    HA   SER  13           HA       SER  13   0.744  10.323  -2.227
   50   1HB   SER  13          2HB       SER  13  -1.102   8.965  -1.326
   51   2HB   SER  13          1HB       SER  13  -1.621   9.885  -2.740
   52    HG   SER  13           HG       SER  13  -2.272   7.633  -2.711
   53    H    ILE  14           H        ILE  14  -0.007   6.891  -2.559
   54    HA   ILE  14           HA       ILE  14   2.727   6.140  -2.112
   55    HB   ILE  14           HB       ILE  14   1.207   4.724  -0.128
   56   1HG1  ILE  14          2HG1      ILE  14   0.163   7.092  -0.044
   57   2HG1  ILE  14          1HG1      ILE  14   0.775   6.421   1.462
   58   1HG2  ILE  14          1HG2      ILE  14   3.190   5.490   1.264
   59   2HG2  ILE  14          2HG2      ILE  14   3.528   4.489  -0.147
   60   3HG2  ILE  14          3HG2      ILE  14   3.795   6.230  -0.220
   61   1HD1  ILE  14          1HD1      ILE  14   2.069   8.184   1.734
   62   2HD1  ILE  14          2HD1      ILE  14   2.870   7.866   0.195
   63   3HD1  ILE  14          3HD1      ILE  14   1.423   8.873   0.246
   64    H    SER  15           H        SER  15  -0.134   3.293  -2.731
   65    HA   SER  15           HA       SER  15  -0.586   5.713  -1.150
   66   1HB   SER  15          1HB       SER  15  -2.468   3.727  -2.430
   67   2HB   SER  15          2HB       SER  15  -3.005   5.037  -1.378
   68    HG   SER  15           HG       SER  15  -3.127   5.967  -3.302
   69    H    ASN  16           H        ASN  16  -0.960   5.567   1.013
   70    HA   ASN  16           HA       ASN  16  -1.173   2.883   2.148
   71   1HB   ASN  16          2HB       ASN  16   0.821   3.010   3.113
   72   2HB   ASN  16          1HB       ASN  16   1.089   4.536   2.284
   73   1HD2  ASN  16          1HD2      ASN  16   0.408   6.499   3.390
   74   2HD2  ASN  16          2HD2      ASN  16   0.509   6.560   5.113
   75    H    GLN  17           H        GLN  17  -2.718   5.733   1.861
   76    HA   GLN  17           HA       GLN  17  -3.636   6.108   4.577
   77   1HB   GLN  17          2HB       GLN  17  -4.614   8.030   3.799
   78   2HB   GLN  17          1HB       GLN  17  -3.379   7.815   2.578
   79   1HG   GLN  17          1HG       GLN  17  -5.216   6.543   1.277
   80   2HG   GLN  17          2HG       GLN  17  -6.322   7.394   2.351
   81   1HE2  GLN  17          2HE2      GLN  17  -5.352   9.827   2.613
   82   2HE2  GLN  17          1HE2      GLN  17  -5.218  10.635   1.091
   83    HA   PRO  18           HA       PRO  18  -7.500   3.887   4.957
   84   1HB   PRO  18          2HB       PRO  18  -8.925   6.111   3.536
   85   2HB   PRO  18          1HB       PRO  18  -9.432   5.188   4.959
   86   1HG   PRO  18          1HG       PRO  18  -8.373   7.615   5.243
   87   2HG   PRO  18          2HG       PRO  18  -7.978   6.315   6.378
   88   1HD   PRO  18          2HD       PRO  18  -6.333   7.552   4.262
   89   2HD   PRO  18          1HD       PRO  18  -5.819   6.752   5.752
   90    H    VAL  19           H        VAL  19  -6.868   5.476   1.911
   91    HA   VAL  19           HA       VAL  19  -7.529   3.005   0.479
   92    HB   VAL  19           HB       VAL  19  -8.426   4.276  -1.400
   93   1HG1  VAL  19          1HG2      VAL  19  -9.667   4.142   1.220
   94   2HG1  VAL  19          2HG2      VAL  19 -10.340   5.432   0.224
   95   3HG1  VAL  19          3HG2      VAL  19 -10.337   3.771  -0.369
   96   1HG2  VAL  19          1HG1      VAL  19  -7.437   6.361  -1.383
   97   2HG2  VAL  19          2HG1      VAL  19  -9.063   6.734  -0.808
   98   3HG2  VAL  19          3HG1      VAL  19  -7.729   6.603   0.340
   99    H    ASN  20           H        ASN  20  -4.249   3.480  -0.781
  100    HA   ASN  20           HA       ASN  20  -4.464   1.349  -0.270
  101   1HB   ASN  20          1HB       ASN  20  -6.385   2.337   1.777
  102   2HB   ASN  20          2HB       ASN  20  -6.295   0.633   1.428
  103   1HD2  ASN  20          1HD2      ASN  20  -3.582   2.845   1.322
  104   2HD2  ASN  20          2HD2      ASN  20  -2.759   2.155   2.672
  105    HA   PRO  21           HA       PRO  21  -7.408  -0.275  -2.961
  106   1HB   PRO  21          1HB       PRO  21  -7.551  -2.716  -1.310
  107   2HB   PRO  21          2HB       PRO  21  -6.952  -2.510  -2.970
  108   1HG   PRO  21          2HG       PRO  21  -5.230  -2.905  -1.008
  109   2HG   PRO  21          1HG       PRO  21  -4.892  -1.658  -2.228
  110   1HD   PRO  21          1HD       PRO  21  -6.113  -1.332   0.501
  111   2HD   PRO  21          2HD       PRO  21  -4.685  -0.521  -0.183
  112    H    ARG  22           H        ARG  22  -8.376   0.450   0.171
  113    HA   ARG  22           HA       ARG  22 -10.927  -0.640   0.468
  114   1HB   ARG  22          2HB       ARG  22  -9.578   1.212   1.846
  115   2HB   ARG  22          1HB       ARG  22 -10.586   2.295   0.895
  116   1HG   ARG  22          1HG       ARG  22 -11.879   2.021   2.760
  117   2HG   ARG  22          2HG       ARG  22 -12.519   0.744   1.724
  118   1HD   ARG  22          1HD       ARG  22 -11.343  -0.932   2.881
  119   2HD   ARG  22          2HD       ARG  22 -10.299   0.242   3.681
  120   1HH1  ARG  22          1HH1      ARG  22 -10.940  -2.067   4.510
  121   2HH1  ARG  22          2HH1      ARG  22 -11.680  -2.704   5.941
  122   1HH2  ARG  22          2HH2      ARG  22 -13.760   0.063   6.443
  123   2HH2  ARG  22          1HH2      ARG  22 -13.283  -1.492   7.041
  124    H    SER  23           H        SER  23  -9.597   1.741  -1.661
  125    HA   SER  23           HA       SER  23 -12.041   1.648  -3.289
  126   1HB   SER  23          2HB       SER  23 -11.460   3.842  -4.187
  127   2HB   SER  23          1HB       SER  23 -11.595   3.943  -2.436
  128    HG   SER  23           HG       SER  23  -9.714   4.894  -2.726
  129    H    LEU  24           H        LEU  24 -11.526  -0.010  -4.607
  130    HA   LEU  24           HA       LEU  24  -8.970   0.061  -6.102
  131   1HB   LEU  24          2HB       LEU  24  -8.268  -1.372  -4.439
  132   2HB   LEU  24          1HB       LEU  24  -9.873  -1.990  -4.138
  133    HG   LEU  24           HG       LEU  24  -9.713  -3.600  -5.842
  134   1HD1  LEU  24          1HD1      LEU  24  -8.358  -1.746  -7.284
  135   2HD1  LEU  24          2HD1      LEU  24  -7.088  -2.913  -6.922
  136   3HD1  LEU  24          3HD1      LEU  24  -8.568  -3.425  -7.744
  137   1HD2  LEU  24          1HD2      LEU  24  -7.958  -4.931  -5.123
  138   2HD2  LEU  24          2HD2      LEU  24  -6.847  -3.570  -4.954
  139   3HD2  LEU  24          3HD2      LEU  24  -8.143  -3.810  -3.776
  140    H    GLU  25           H        GLU  25  -9.277  -0.341  -8.216
  141    HA   GLU  25           HA       GLU  25 -11.679  -1.833  -9.037
  142   1HB   GLU  25          1HB       GLU  25 -11.748   0.882  -9.120
  143   2HB   GLU  25          2HB       GLU  25 -11.106   0.535 -10.714
  144   1HG   GLU  25          1HG       GLU  25 -13.361  -1.156 -10.056
  145   2HG   GLU  25          2HG       GLU  25 -13.758   0.560  -9.983
  146    H    LYS  26           H        LYS  26  -9.293   0.104 -10.807
  147    HA   LYS  26           HA       LYS  26  -8.682  -2.263 -12.438
  148   1HB   LYS  26          2HB       LYS  26  -7.766   0.476 -13.206
  149   2HB   LYS  26          1HB       LYS  26  -8.194  -0.885 -14.231
  150   1HG   LYS  26          2HG       LYS  26 -10.231   0.631 -12.630
  151   2HG   LYS  26          1HG       LYS  26  -9.762   1.090 -14.268
  152   1HD   LYS  26          1HD       LYS  26 -10.611  -1.717 -13.690
  153   2HD   LYS  26          2HD       LYS  26 -11.825  -0.454 -13.901
  154   1HE   LYS  26          1HE       LYS  26 -10.957   0.064 -16.097
  155   2HE   LYS  26          2HE       LYS  26  -9.653  -1.103 -15.888
  156   1HZ   LYS  26          1HZ       LYS  26 -11.689  -1.800 -17.218
  157   2HZ   LYS  26          2HZ       LYS  26 -11.097  -2.874 -16.063
  158   1HN   MLE  27          1HM       LEM  27  -6.586  -4.409 -10.736
  159   2HN   MLE  27          2HM       LEM  27  -7.596  -3.793 -12.038
  160   3HN   MLE  27          3HM       LEM  27  -8.066  -3.530 -10.359
  161    HA   MLE  27           HA       LEM  27  -4.812  -1.474 -10.516
  162   1HB   MLE  27          1HB       LEM  27  -4.918  -3.513  -8.544
  163   2HB   MLE  27          2HB       LEM  27  -6.536  -2.888  -8.744
  164    HG   MLE  27           HG       LEM  27  -4.390  -0.894  -8.495
  165   1HD1  MLE  27          1HD1      LEM  27  -6.133   0.431  -7.978
  166   2HD1  MLE  27          2HD1      LEM  27  -7.142  -0.893  -8.525
  167   3HD1  MLE  27          3HD1      LEM  27  -6.757  -0.724  -6.814
  168   1HD2  MLE  27          1HD2      LEM  27  -3.836  -1.231  -6.379
  169   2HD2  MLE  27          2HD2      LEM  27  -5.392  -1.939  -5.947
  170   3HD2  MLE  27          3HD2      LEM  27  -4.177  -2.911  -6.782
  171    H    GLU  28           H        GLU  28  -3.383  -2.061 -12.012
  172    HA   GLU  28           HA       GLU  28  -2.876  -4.877 -12.559
  173   1HB   GLU  28          2HB       GLU  28  -2.940  -3.404 -14.480
  174   2HB   GLU  28          1HB       GLU  28  -1.731  -2.350 -13.757
  175   1HG   GLU  28          2HG       GLU  28  -0.481  -4.789 -13.778
  176   2HG   GLU  28          1HG       GLU  28  -1.412  -4.807 -15.276
  177    H    ILE  29           H        ILE  29  -1.739  -5.816 -10.964
  178    HA   ILE  29           HA       ILE  29   0.314  -4.334  -9.569
  179    HB   ILE  29           HB       ILE  29   0.428  -6.185  -8.047
  180   1HG1  ILE  29          2HG1      ILE  29  -1.318  -8.104  -8.570
  181   2HG1  ILE  29          1HG1      ILE  29  -1.024  -7.615 -10.236
  182   1HG2  ILE  29          1HG2      ILE  29  -2.463  -5.741  -8.773
  183   2HG2  ILE  29          2HG2      ILE  29  -1.809  -6.162  -7.192
  184   3HG2  ILE  29          3HG2      ILE  29  -1.469  -4.581  -7.892
  185   1HD1  ILE  29          1HD1      ILE  29   0.705  -8.998 -10.208
  186   2HD1  ILE  29          2HD1      ILE  29   1.506  -7.837  -9.149
  187   3HD1  ILE  29          3HD1      ILE  29   0.612  -9.190  -8.457
  188    H    ILE  30           H        ILE  30   2.438  -4.788  -9.450
  189    HA   ILE  30           HA       ILE  30   3.576  -6.919 -11.091
  190    HB   ILE  30           HB       ILE  30   5.220  -4.533 -11.282
  191   1HG1  ILE  30          1HG1      ILE  30   2.543  -4.441 -12.698
  192   2HG1  ILE  30          2HG1      ILE  30   3.011  -3.398 -11.359
  193   1HG2  ILE  30          1HG2      ILE  30   4.340  -5.534 -13.801
  194   2HG2  ILE  30          2HG2      ILE  30   5.917  -5.704 -13.028
  195   3HG2  ILE  30          3HG2      ILE  30   4.652  -6.893 -12.720
  196   1HD1  ILE  30          1HD1      ILE  30   4.070  -3.436 -14.156
  197   2HD1  ILE  30          2HD1      ILE  30   3.338  -2.102 -13.263
  198   3HD1  ILE  30          3HD1      ILE  30   4.954  -2.667 -12.837
  199    HA   PRO  31           HA       PRO  31   6.264  -7.116  -7.601
  200   1HB   PRO  31          1HB       PRO  31   8.271  -8.600  -8.567
  201   2HB   PRO  31          2HB       PRO  31   6.630  -9.240  -8.439
  202   1HG   PRO  31          2HG       PRO  31   8.136  -8.364 -10.836
  203   2HG   PRO  31          1HG       PRO  31   6.859  -9.581 -10.692
  204   1HD   PRO  31          1HD       PRO  31   6.596  -6.884 -11.571
  205   2HD   PRO  31          2HD       PRO  31   5.296  -8.063 -11.305
  206    H    ALA  32           H        ALA  32   6.924  -4.952  -7.231
  207    HA   ALA  32           HA       ALA  32   9.189  -3.873  -8.657
  208   1HB   ALA  32          1HB       ALA  32   8.630  -1.892  -7.760
  209   2HB   ALA  32          2HB       ALA  32   7.135  -2.704  -7.296
  210   3HB   ALA  32          3HB       ALA  32   8.457  -2.559  -6.141
  211    H    SER  33           H        SER  33  11.278  -3.798  -7.989
  212    HA   SER  33           HA       SER  33  12.070  -4.475  -5.315
  213   1HB   SER  33          1HB       SER  33  13.574  -6.392  -6.263
  214   2HB   SER  33          2HB       SER  33  11.885  -6.731  -5.881
  215    HG   SER  33           HG       SER  33  11.945  -7.459  -7.876
  216    H    GLN  34           H        GLN  34  13.098  -4.154  -8.691
  217    HA   GLN  34           HA       GLN  34  15.766  -3.564  -8.365
  218   1HB   GLN  34          2HB       GLN  34  14.979  -3.790 -10.576
  219   2HB   GLN  34          1HB       GLN  34  13.717  -2.592 -10.343
  220   1HG   GLN  34          1HG       GLN  34  15.100  -0.844 -10.750
  221   2HG   GLN  34          2HG       GLN  34  16.511  -1.661 -10.078
  222   1HE2  GLN  34          2HE2      GLN  34  14.999  -0.664 -12.873
  223   2HE2  GLN  34          1HE2      GLN  34  15.910  -1.587 -14.014
  224    H    PHE  35           H        PHE  35  13.370  -1.002  -8.938
  225    HA   PHE  35           HA       PHE  35  15.041   0.899  -7.536
  226   1HB   PHE  35          1HB       PHE  35  13.280   1.088  -9.659
  227   2HB   PHE  35          2HB       PHE  35  12.390   1.832  -8.338
  228    HD1  PHE  35           HD1      PHE  35  15.068   2.194 -10.705
  229    HD2  PHE  35           HD2      PHE  35  13.413   3.757  -7.110
  230    HE1  PHE  35           HE1      PHE  35  16.353   4.269 -11.021
  231    HE2  PHE  35           HE2      PHE  35  14.694   5.835  -7.419
  232    HZ   PHE  35           HZ       PHE  35  16.167   6.093  -9.376
  233    H    CYS  36           H        CYS  36  11.695  -0.312  -7.219
  234    HA   CYS  36           HA       CYS  36  11.831   0.433  -4.378
  235   1HB   CYS  36          1HB       CYS  36   9.948   1.274  -6.307
  236   2HB   CYS  36          2HB       CYS  36   9.114   0.113  -5.278
  237    HA   PRO  37           HA       PRO  37  11.065  -3.947  -3.761
  238   1HB   PRO  37          2HB       PRO  37  11.484  -4.042  -1.176
  239   2HB   PRO  37          1HB       PRO  37  12.792  -3.444  -2.212
  240   1HG   PRO  37          1HG       PRO  37  10.717  -1.857  -0.712
  241   2HG   PRO  37          2HG       PRO  37  12.483  -1.688  -0.629
  242   1HD   PRO  37          2HD       PRO  37  10.916  -0.149  -2.237
  243   2HD   PRO  37          1HD       PRO  37  12.582  -0.596  -2.664
  244    H    ARG  38           H        ARG  38   8.680  -3.172  -4.352
  245    HA   ARG  38           HA       ARG  38   6.938  -4.190  -2.298
  246   1HB   ARG  38          2HB       ARG  38   6.359  -1.421  -3.367
  247   2HB   ARG  38          1HB       ARG  38   5.465  -2.294  -2.135
  248   1HG   ARG  38          1HG       ARG  38   8.304  -1.377  -1.779
  249   2HG   ARG  38          2HG       ARG  38   6.895  -0.438  -1.296
  250   1HD   ARG  38          2HD       ARG  38   6.397  -1.803   0.448
  251   2HD   ARG  38          1HD       ARG  38   7.024  -3.242  -0.356
  252   1HH1  ARG  38          1HH2      ARG  38   7.146   0.050   0.829
  253   2HH1  ARG  38          2HH2      ARG  38   8.281   0.873   1.845
  254   1HH2  ARG  38          2HH1      ARG  38  10.553  -1.784   1.952
  255   2HH2  ARG  38          1HH1      ARG  38  10.220  -0.171   2.484
  256    H    VAL  39           H        VAL  39   4.500  -3.342  -3.417
  257    HA   VAL  39           HA       VAL  39   4.546  -4.849  -5.908
  258    HB   VAL  39           HB       VAL  39   1.999  -3.734  -4.771
  259   1HG1  VAL  39          1HG1      VAL  39   2.592  -6.382  -6.079
  260   2HG1  VAL  39          2HG1      VAL  39   1.021  -5.626  -5.818
  261   3HG1  VAL  39          3HG1      VAL  39   2.154  -4.929  -6.977
  262   1HG2  VAL  39          1HG2      VAL  39   3.316  -4.798  -2.902
  263   2HG2  VAL  39          2HG2      VAL  39   1.769  -5.569  -3.253
  264   3HG2  VAL  39          3HG2      VAL  39   3.270  -6.306  -3.814
  265    H    GLU  40           H        GLU  40   4.501  -3.922  -7.845
  266    HA   GLU  40           HA       GLU  40   4.181  -1.031  -8.029
  267   1HB   GLU  40          1HB       GLU  40   5.307  -3.171  -9.744
  268   2HB   GLU  40          2HB       GLU  40   4.493  -1.869 -10.602
  269   1HG   GLU  40          2HG       GLU  40   6.500  -1.192  -8.513
  270   2HG   GLU  40          1HG       GLU  40   7.043  -1.740 -10.099
  271    H    ILE  41           H        ILE  41   2.235  -0.164  -8.445
  272    HA   ILE  41           HA       ILE  41   0.267  -1.818  -9.848
  273    HB   ILE  41           HB       ILE  41   0.084  -2.314  -7.476
  274   1HG1  ILE  41          2HG1      ILE  41  -2.274  -1.939  -7.220
  275   2HG1  ILE  41          1HG1      ILE  41  -2.243  -0.628  -8.395
  276   1HG2  ILE  41          1HG2      ILE  41   0.519   0.446  -7.180
  277   2HG2  ILE  41          2HG2      ILE  41  -1.056   0.077  -6.482
  278   3HG2  ILE  41          3HG2      ILE  41   0.382  -0.781  -5.926
  279   1HD1  ILE  41          1HD1      ILE  41  -1.277  -3.259  -9.299
  280   2HD1  ILE  41          2HD1      ILE  41  -3.002  -3.109  -8.980
  281   3HD1  ILE  41          3HD1      ILE  41  -2.225  -2.041 -10.150
  282    H    ILE  42           H        ILE  42  -0.787  -0.717 -11.301
  283    HA   ILE  42           HA       ILE  42  -1.055   2.187 -11.038
  284    HB   ILE  42           HB       ILE  42  -2.189   0.589 -13.312
  285   1HG1  ILE  42          1HG1      ILE  42   0.596   1.774 -13.287
  286   2HG1  ILE  42          2HG1      ILE  42   0.281   0.070 -12.974
  287   1HG2  ILE  42          1HG2      ILE  42  -2.906   2.662 -13.761
  288   2HG2  ILE  42          2HG2      ILE  42  -1.813   3.382 -12.575
  289   3HG2  ILE  42          3HG2      ILE  42  -1.237   3.019 -14.205
  290   1HD1  ILE  42          1HD1      ILE  42  -1.065   0.690 -15.352
  291   2HD1  ILE  42          2HD1      ILE  42   0.530   1.433 -15.467
  292   3HD1  ILE  42          3HD1      ILE  42   0.384  -0.296 -15.146
  293    H    ALA  43           H        ALA  43  -2.493   2.412  -9.446
  294    HA   ALA  43           HA       ALA  43  -4.773   0.648  -9.356
  295   1HB   ALA  43          1HB       ALA  43  -4.925   2.155  -7.089
  296   2HB   ALA  43          2HB       ALA  43  -4.048   0.631  -7.231
  297   3HB   ALA  43          3HB       ALA  43  -3.192   2.163  -7.418
  298    H    THR  44           H        THR  44  -6.620   1.126 -10.104
  299    HA   THR  44           HA       THR  44  -7.502   3.928 -10.115
  300    HB   THR  44           HB       THR  44  -8.463   1.554 -11.723
  301    HG1  THR  44           HG1      THR  44  -7.288   4.039 -12.349
  302   1HG2  THR  44          1HG2      THR  44  -9.828   4.151 -11.210
  303   2HG2  THR  44          2HG2      THR  44  -9.979   3.363 -12.781
  304   3HG2  THR  44          3HG2      THR  44 -10.505   2.525 -11.321
  305    H    MET  45           H        MET  45  -9.023   4.463  -8.701
  306    HA   MET  45           HA       MET  45  -9.642   2.524  -6.703
  307   1HB   MET  45          2HB       MET  45  -9.922   5.490  -7.010
  308   2HB   MET  45          1HB       MET  45 -10.695   4.678  -5.665
  309   1HG   MET  45          2HG       MET  45  -8.528   3.793  -4.961
  310   2HG   MET  45          1HG       MET  45  -7.761   4.618  -6.312
  311   1HE   MET  45          1HE       MET  45  -6.186   5.256  -4.468
  312   2HE   MET  45          2HE       MET  45  -6.347   6.748  -3.541
  313   3HE   MET  45          3HE       MET  45  -6.992   5.236  -2.900
  314    H    LYS  46           H        LYS  46 -11.388   1.223  -6.773
  315    HA   LYS  46           HA       LYS  46 -13.896   2.190  -7.919
  316   1HB   LYS  46          2HB       LYS  46 -13.000  -0.296  -7.974
  317   2HB   LYS  46          1HB       LYS  46 -13.691  -0.361  -6.367
  318   1HG   LYS  46          1HG       LYS  46 -15.268   0.549  -8.751
  319   2HG   LYS  46          2HG       LYS  46 -15.146  -1.148  -8.285
  320   1HD   LYS  46          2HD       LYS  46 -15.896  -0.336  -5.956
  321   2HD   LYS  46          1HD       LYS  46 -16.404   1.131  -6.796
  322   1HE   LYS  46          2HE       LYS  46 -17.926  -0.079  -8.164
  323   2HE   LYS  46          1HE       LYS  46 -17.273  -1.627  -7.630
  324   1HZ   LYS  46          1HZ       LYS  46 -18.257   0.057  -5.509
  325   2HZ   LYS  46          2HZ       LYS  46 -19.444  -0.429  -6.602
  326    H    LYS  47           H        LYS  47 -14.542   3.765  -6.661
  327    HA   LYS  47           HA       LYS  47 -15.838   3.447  -4.245
  328   1HB   LYS  47          2HB       LYS  47 -13.377   3.047  -3.530
  329   2HB   LYS  47          1HB       LYS  47 -13.173   4.767  -3.786
  330   1HG   LYS  47          2HG       LYS  47 -13.633   3.949  -1.426
  331   2HG   LYS  47          1HG       LYS  47 -14.585   5.312  -2.018
  332   1HD   LYS  47          2HD       LYS  47 -16.474   3.891  -2.430
  333   2HD   LYS  47          1HD       LYS  47 -15.523   2.446  -2.080
  334   1HE   LYS  47          1HE       LYS  47 -16.718   2.772  -0.117
  335   2HE   LYS  47          2HE       LYS  47 -15.160   3.516   0.236
  336   1HZ   LYS  47          1HZ       LYS  47 -16.145   5.669  -0.370
  337   2HZ   LYS  47          2HZ       LYS  47 -17.642   4.920  -0.567
  338    H    LYS  48           H        LYS  48 -13.813   5.455  -6.244
  339    HA   LYS  48           HA       LYS  48 -15.864   7.462  -6.420
  340   1HB   LYS  48          1HB       LYS  48 -14.540   7.924  -4.312
  341   2HB   LYS  48          2HB       LYS  48 -13.162   8.265  -5.354
  342   1HG   LYS  48          1HG       LYS  48 -14.518  10.016  -6.479
  343   2HG   LYS  48          2HG       LYS  48 -15.779   9.746  -5.271
  344   1HD   LYS  48          1HD       LYS  48 -13.261  10.091  -3.956
  345   2HD   LYS  48          2HD       LYS  48 -13.519  11.425  -5.083
  346   1HE   LYS  48          1HE       LYS  48 -14.500  12.159  -3.097
  347   2HE   LYS  48          2HE       LYS  48 -15.859  11.590  -4.066
  348   1HZ   LYS  48          1HZ       LYS  48 -16.099   9.709  -2.777
  349   2HZ   LYS  48          2HZ       LYS  48 -14.533   9.785  -2.160
  350    H    GLY  49           H        GLY  49 -14.292   5.592  -8.125
  351   1HA   GLY  49          2HA       GLY  49 -13.109   5.560 -10.103
  352   2HA   GLY  49          1HA       GLY  49 -14.104   6.962 -10.464
  353    H    GLU  50           H        GLU  50 -11.167   6.141  -8.606
  354    HA   GLU  50           HA       GLU  50  -9.999   8.654  -9.623
  355   1HB   GLU  50          1HB       GLU  50 -10.505   8.191  -7.043
  356   2HB   GLU  50          2HB       GLU  50  -8.927   7.420  -7.139
  357   1HG   GLU  50          2HG       GLU  50  -7.859   9.371  -7.217
  358   2HG   GLU  50          1HG       GLU  50  -8.986  10.042  -8.396
  359    H    LYS  51           H        LYS  51  -7.666   8.706  -9.849
  360    HA   LYS  51           HA       LYS  51  -6.566   6.086 -10.661
  361   1HB   LYS  51          2HB       LYS  51  -5.842   8.855 -11.659
  362   2HB   LYS  51          1HB       LYS  51  -5.111   7.350 -12.199
  363   1HG   LYS  51          1HG       LYS  51  -7.484   6.665 -12.880
  364   2HG   LYS  51          2HG       LYS  51  -7.880   8.375 -12.697
  365   1HD   LYS  51          2HD       LYS  51  -5.544   8.388 -14.183
  366   2HD   LYS  51          1HD       LYS  51  -6.449   7.015 -14.827
  367   1HE   LYS  51          1HE       LYS  51  -7.261   8.728 -16.124
  368   2HE   LYS  51          2HE       LYS  51  -8.446   8.697 -14.819
  369   1HZ   LYS  51          1HZ       LYS  51  -7.308  10.510 -13.757
  370   2HZ   LYS  51          2HZ       LYS  51  -6.102  10.510 -14.935
  371    H    ARG  52           H        ARG  52  -4.864   5.352  -9.609
  372    HA   ARG  52           HA       ARG  52  -3.033   7.165  -8.256
  373   1HB   ARG  52          1HB       ARG  52  -5.130   5.678  -6.918
  374   2HB   ARG  52          2HB       ARG  52  -3.551   5.183  -6.332
  375   1HG   ARG  52          2HG       ARG  52  -4.574   8.014  -6.422
  376   2HG   ARG  52          1HG       ARG  52  -4.523   6.984  -4.990
  377   1HD   ARG  52          2HD       ARG  52  -2.137   6.915  -5.039
  378   2HD   ARG  52          1HD       ARG  52  -2.092   7.718  -6.607
  379   1HH1  ARG  52          2HH2      ARG  52  -3.395   9.257  -7.346
  380   2HH1  ARG  52          1HH2      ARG  52  -3.596  10.976  -7.260
  381   1HH2  ARG  52          2HH1      ARG  52  -2.513  11.226  -3.944
  382   2HH2  ARG  52          1HH1      ARG  52  -3.095  12.094  -5.325
  383    H    CYS  53           H        CYS  53  -1.138   6.014  -7.386
  384    HA   CYS  53           HA       CYS  53  -0.651   3.384  -8.634
  385   1HB   CYS  53          2HB       CYS  53   0.520   4.855 -10.090
  386   2HB   CYS  53          1HB       CYS  53   1.109   5.841  -8.759
  387    H    LEU  54           H        LEU  54  -0.503   2.094  -6.896
  388    HA   LEU  54           HA       LEU  54   0.600   3.193  -4.459
  389   1HB   LEU  54          2HB       LEU  54  -0.667   0.500  -4.573
  390   2HB   LEU  54          1HB       LEU  54  -0.648   1.661  -3.258
  391    HG   LEU  54           HG       LEU  54  -2.391   1.612  -5.712
  392   1HD1  LEU  54          1HD1      LEU  54  -3.957   1.008  -4.265
  393   2HD1  LEU  54          2HD1      LEU  54  -2.721   0.934  -3.008
  394   3HD1  LEU  54          3HD1      LEU  54  -3.633   2.420  -3.263
  395   1HD2  LEU  54          1HD2      LEU  54  -1.331   3.975  -4.363
  396   2HD2  LEU  54          2HD2      LEU  54  -2.143   3.823  -5.921
  397   3HD2  LEU  54          3HD2      LEU  54  -3.093   3.927  -4.439
  398    H    ASN  55           H        ASN  55   1.773   1.798  -2.974
  399    HA   ASN  55           HA       ASN  55   3.508  -0.196  -4.179
  400   1HB   ASN  55          1HB       ASN  55   5.469   0.940  -2.900
  401   2HB   ASN  55          2HB       ASN  55   4.996   1.597  -4.464
  402   1HD2  ASN  55          1HD2      ASN  55   5.436   3.690  -4.286
  403   2HD2  ASN  55          2HD2      ASN  55   4.823   4.737  -3.056
  404    HA   PRO  56           HA       PRO  56   1.070  -1.346  -0.389
  405   1HB   PRO  56          2HB       PRO  56   2.669  -3.664  -1.456
  406   2HB   PRO  56          1HB       PRO  56   1.150  -3.723  -0.550
  407   1HG   PRO  56          1HG       PRO  56   1.051  -3.740  -3.184
  408   2HG   PRO  56          2HG       PRO  56  -0.061  -2.701  -2.287
  409   1HD   PRO  56          2HD       PRO  56   2.286  -1.948  -3.929
  410   2HD   PRO  56          1HD       PRO  56   0.865  -0.983  -3.479
  411    H    GLU  57           H        GLU  57   2.271   0.028   0.936
  412    HA   GLU  57           HA       GLU  57   4.341  -1.398   2.466
  413   1HB   GLU  57          2HB       GLU  57   4.838   1.027   3.325
  414   2HB   GLU  57          1HB       GLU  57   5.495   0.487   1.790
  415   1HG   GLU  57          2HG       GLU  57   3.407   1.543   0.749
  416   2HG   GLU  57          1HG       GLU  57   3.231   2.356   2.299
  417    H    SER  58           H        SER  58   1.259   0.185   2.510
  418    HA   SER  58           HA       SER  58   1.029   0.526   5.326
  419   1HB   SER  58          2HB       SER  58  -0.380   1.277   2.971
  420   2HB   SER  58          1HB       SER  58  -1.522   0.438   4.018
  421    HG   SER  58           HG       SER  58  -1.630   2.336   4.942
  422    H    LYS  59           H        LYS  59  -1.597  -0.324   5.782
  423    HA   LYS  59           HA       LYS  59  -1.186  -3.165   6.249
  424   1HB   LYS  59          1HB       LYS  59  -3.359  -1.326   7.214
  425   2HB   LYS  59          2HB       LYS  59  -3.145  -2.997   7.706
  426   1HG   LYS  59          2HG       LYS  59  -0.946  -2.406   8.646
  427   2HG   LYS  59          1HG       LYS  59  -1.242  -0.719   8.216
  428   1HD   LYS  59          2HD       LYS  59  -2.811  -0.433   9.853
  429   2HD   LYS  59          1HD       LYS  59  -3.300  -2.130   9.831
  430   1HE   LYS  59          1HE       LYS  59  -1.946  -2.593  11.529
  431   2HE   LYS  59          2HE       LYS  59  -0.565  -1.921  10.660
  432   1HZ   LYS  59          1HZ       LYS  59  -2.426  -0.034  11.869
  433   2HZ   LYS  59          2HZ       LYS  59  -1.459  -0.922  12.924
  434    H    ALA  60           H        ALA  60  -4.213  -1.427   5.476
  435    HA   ALA  60           HA       ALA  60  -5.546  -3.471   4.178
  436   1HB   ALA  60          1HB       ALA  60  -6.020  -0.963   2.829
  437   2HB   ALA  60          2HB       ALA  60  -7.098  -1.911   3.854
  438   3HB   ALA  60          3HB       ALA  60  -5.981  -0.755   4.579
  439    H    ILE  61           H        ILE  61  -2.987  -1.445   3.084
  440    HA   ILE  61           HA       ILE  61  -2.995  -1.750   0.357
  441    HB   ILE  61           HB       ILE  61  -1.333  -0.723   2.317
  442   1HG1  ILE  61          1HG1      ILE  61  -1.708   0.508   0.376
  443   2HG1  ILE  61          2HG1      ILE  61   0.003   0.109   0.297
  444   1HG2  ILE  61          1HG2      ILE  61  -0.007  -2.670   2.555
  445   2HG2  ILE  61          2HG2      ILE  61   0.196  -2.816   0.811
  446   3HG2  ILE  61          3HG2      ILE  61   0.934  -1.478   1.675
  447   1HD1  ILE  61          1HD1      ILE  61  -1.415  -1.952  -1.011
  448   2HD1  ILE  61          2HD1      ILE  61  -2.025  -0.405  -1.600
  449   3HD1  ILE  61          3HD1      ILE  61  -0.303  -0.767  -1.697
  450    H    LYS  62           H        LYS  62  -1.915  -4.000   2.863
  451    HA   LYS  62           HA       LYS  62  -0.718  -5.955   1.256
  452   1HB   LYS  62          1HB       LYS  62  -0.784  -5.863   3.797
  453   2HB   LYS  62          2HB       LYS  62  -2.412  -6.520   3.693
  454   1HG   LYS  62          2HG       LYS  62  -0.985  -8.344   4.116
  455   2HG   LYS  62          1HG       LYS  62  -1.426  -8.452   2.411
  456   1HD   LYS  62          2HD       LYS  62   0.684  -7.613   1.722
  457   2HD   LYS  62          1HD       LYS  62   1.106  -7.136   3.368
  458   1HE   LYS  62          2HE       LYS  62   1.308  -9.407   4.057
  459   2HE   LYS  62          1HE       LYS  62   0.615  -9.990   2.542
  460   1HZ   LYS  62          1HZ       LYS  62   3.245  -9.775   3.066
  461   2HZ   LYS  62          2HZ       LYS  62   2.567  -9.873   1.526
  462    H    ASN  63           H        ASN  63  -4.036  -5.137   1.888
  463    HA   ASN  63           HA       ASN  63  -5.197  -7.443   0.651
  464   1HB   ASN  63          2HB       ASN  63  -6.150  -5.387   2.234
  465   2HB   ASN  63          1HB       ASN  63  -6.831  -5.014   0.654
  466   1HD2  ASN  63          2HD2      ASN  63  -8.915  -5.479   1.266
  467   2HD2  ASN  63          1HD2      ASN  63  -9.463  -7.088   1.571
  468    H    LEU  64           H        LEU  64  -3.855  -4.463  -0.435
  469    HA   LEU  64           HA       LEU  64  -5.121  -3.977  -2.830
  470   1HB   LEU  64          2HB       LEU  64  -3.252  -2.577  -1.938
  471   2HB   LEU  64          1HB       LEU  64  -2.130  -3.848  -2.368
  472    HG   LEU  64           HG       LEU  64  -3.483  -3.351  -4.737
  473   1HD1  LEU  64          1HD1      LEU  64  -2.841  -0.767  -4.783
  474   2HD1  LEU  64          2HD1      LEU  64  -4.454  -1.340  -4.354
  475   3HD1  LEU  64          3HD1      LEU  64  -3.304  -0.904  -3.088
  476   1HD2  LEU  64          1HD2      LEU  64  -0.884  -3.595  -3.935
  477   2HD2  LEU  64          2HD2      LEU  64  -1.380  -3.079  -5.546
  478   3HD2  LEU  64          3HD2      LEU  64  -0.950  -1.879  -4.332
  479    H    LEU  65           H        LEU  65  -2.116  -5.774  -2.462
  480    HA   LEU  65           HA       LEU  65  -2.334  -6.849  -5.085
  481   1HB   LEU  65          2HB       LEU  65  -0.160  -6.476  -4.181
  482   2HB   LEU  65          1HB       LEU  65  -0.504  -7.450  -2.766
  483    HG   LEU  65           HG       LEU  65  -0.690  -8.900  -5.319
  484   1HD1  LEU  65          1HD1      LEU  65   1.179  -7.948  -6.153
  485   2HD1  LEU  65          2HD1      LEU  65   1.716  -7.364  -4.577
  486   3HD1  LEU  65          3HD1      LEU  65   1.976  -9.050  -5.029
  487   1HD2  LEU  65          1HD2      LEU  65  -0.636  -9.620  -2.744
  488   2HD2  LEU  65          2HD2      LEU  65  -0.059 -10.661  -4.045
  489   3HD2  LEU  65          3HD2      LEU  65   1.089  -9.711  -3.101
  490    H    LYS  66           H        LYS  66  -3.196  -8.093  -1.922
  491    HA   LYS  66           HA       LYS  66  -3.524 -10.800  -2.810
  492   1HB   LYS  66          1HB       LYS  66  -3.176  -9.776  -0.386
  493   2HB   LYS  66          2HB       LYS  66  -4.934  -9.774  -0.392
  494   1HG   LYS  66          2HG       LYS  66  -4.104 -12.301  -1.336
  495   2HG   LYS  66          1HG       LYS  66  -3.149 -11.932   0.103
  496   1HD   LYS  66          1HD       LYS  66  -4.921 -12.107   1.472
  497   2HD   LYS  66          2HD       LYS  66  -5.995 -11.277   0.343
  498   1HE   LYS  66          1HE       LYS  66  -6.631 -13.207  -0.689
  499   2HE   LYS  66          2HE       LYS  66  -5.095 -14.011  -0.374
  500   1HZ   LYS  66          1HZ       LYS  66  -7.041 -14.886   0.881
  501   2HZ   LYS  66          2HZ       LYS  66  -5.715 -14.456   1.828
  502    H    ALA  67           H        ALA  67  -5.677  -8.068  -2.269
  503    HA   ALA  67           HA       ALA  67  -8.035  -9.584  -2.922
  504   1HB   ALA  67          1HB       ALA  67  -7.831  -7.607  -1.271
  505   2HB   ALA  67          2HB       ALA  67  -7.988  -6.606  -2.715
  506   3HB   ALA  67          3HB       ALA  67  -9.270  -7.737  -2.283
  507    H    VAL  68           H        VAL  68  -5.745  -7.684  -4.636
  508    HA   VAL  68           HA       VAL  68  -7.551  -7.164  -6.838
  509    HB   VAL  68           HB       VAL  68  -5.756  -5.565  -6.128
  510   1HG1  VAL  68          1HG2      VAL  68  -3.761  -6.947  -7.799
  511   2HG1  VAL  68          2HG2      VAL  68  -3.547  -5.986  -6.335
  512   3HG1  VAL  68          3HG2      VAL  68  -4.062  -7.670  -6.218
  513   1HG2  VAL  68          1HG1      VAL  68  -6.450  -6.425  -8.834
  514   2HG2  VAL  68          2HG1      VAL  68  -6.489  -4.819  -8.106
  515   3HG2  VAL  68          3HG1      VAL  68  -4.974  -5.466  -8.734
  516    H    SER  69           H        SER  69  -5.183  -9.508  -5.909
  517    HA   SER  69           HA       SER  69  -4.657 -10.541  -8.520
  518   1HB   SER  69          2HB       SER  69  -2.955 -11.074  -7.038
  519   2HB   SER  69          1HB       SER  69  -4.071 -11.420  -5.718
  520    HG   SER  69           HG       SER  69  -3.929 -13.425  -6.286
  521    H    LYS  70           H        LYS  70  -7.016 -11.189  -6.019
  522    HA   LYS  70           HA       LYS  70  -8.497 -12.865  -7.885
  523   1HB   LYS  70          2HB       LYS  70  -6.955 -14.023  -5.868
  524   2HB   LYS  70          1HB       LYS  70  -8.590 -14.027  -5.223
  525   1HG   LYS  70          1HG       LYS  70  -9.309 -15.577  -6.683
  526   2HG   LYS  70          2HG       LYS  70  -8.332 -14.940  -8.007
  527   1HD   LYS  70          2HD       LYS  70  -7.549 -17.148  -7.405
  528   2HD   LYS  70          1HD       LYS  70  -6.328 -15.946  -6.979
  529   1HE   LYS  70          1HE       LYS  70  -6.642 -16.219  -4.730
  530   2HE   LYS  70          2HE       LYS  70  -8.323 -16.718  -4.915
  531   1HZ   LYS  70          1HZ       LYS  70  -5.963 -18.364  -5.627
  532   2HZ   LYS  70          2HZ       LYS  70  -6.866 -18.531  -4.214