*HEADER    HYDROLASE                               05-MAR-04   1SLJ              
*TITLE     SOLUTION STRUCTURE OF THE S1 DOMAIN OF RNASE E FROM E. COLI           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RIBONUCLEASE E;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: S1 DOMAIN;                                                 
*COMPND   5 SYNONYM: RNASE E;                                                    
*COMPND   6 EC: 3.1.4.-;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: RNE, AMS, HMP1, B1084;                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    OB-FOLD, RNA-BINDING                                                  
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    M.SCHUBERT, R.E.EDGE, P.LARIO, M.A.COOK, N.C.J.STRYNADKA,             
*AUTHOR   2 G.A.MACKIE, L.P.MCINTOSH                                             
*REVDAT   1   17-AUG-04 1SLJ    0                                                

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   (  segid "    " and resid 10   and name HB% )
      3.500     1.500     1.500 peak     3 spectrum    1 weight  0.11000E+01 volume  0.11520E-02 ppm1      0.811 ppm2      1.417 CV     1
 ASSI {    4}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.700     2.700     3.300 peak     4 spectrum    1 weight  0.11000E+01 volume  0.70587E-02 ppm1      0.810 ppm2      0.791 CV     1
 ASSI {    7}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 65   and name HD1%)
      3.100     1.200     1.200 peak     7 spectrum    1 weight  0.11000E+01 volume  0.14340E-02 ppm1      0.537 ppm2      0.550 CV     1
 ASSI {    9}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 71   and name HG2%)
      2.900     1.100     1.100 peak     9 spectrum    1 weight  0.11000E+01 volume  0.23502E-02 ppm1      0.533 ppm2      0.379 CV     1
 ASSI {   14}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 17   and name HD1%)
      3.300     1.400     1.400 peak    14 spectrum    1 weight  0.11000E+01 volume  0.23895E-02 ppm1      1.154 ppm2      0.537 CV     1
 ASSI {   16}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 20   and name HD1%)
      3.700     1.700     1.700 peak    16 spectrum    1 weight  0.11000E+01 volume  0.15026E-02 ppm1      1.152 ppm2      0.694 CV     1
 ASSI {   21}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 17   and name HD1%)
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.11000E+01 volume  0.30069E-02 ppm1      0.581 ppm2      0.537 CV     1
 ASSI {   22}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 89   and name HG2%)
      3.100     1.200     1.200 peak    22 spectrum    1 weight  0.11000E+01 volume  0.16260E-02 ppm1      0.606 ppm2      0.974 CV     1
 ASSI {   23}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 44   and name HD1%)
      3.500     1.600     1.600 peak    23 spectrum    1 weight  0.11000E+01 volume  0.99920E-03 ppm1      0.316 ppm2      0.586 CV     1
 ASSI {   24}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 65   and name HD1%)
      3.300     3.300     2.700 peak    24 spectrum    1 weight  0.11000E+01 volume  0.15045E-02 ppm1      0.340 ppm2      0.550 CV     1
 ASSI {   25}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 71   and name HG2%)
      3.900     1.900     1.900 peak    25 spectrum    1 weight  0.11000E+01 volume  0.72168E-03 ppm1      0.317 ppm2      0.379 CV     1
 ASSI {   26}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 73   and name HG1%)
      3.900     1.900     1.900 peak    26 spectrum    1 weight  0.11000E+01 volume  0.71915E-03 ppm1      0.317 ppm2      0.551 CV     1
 ASSI {   27}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 44   and name HD1%)
      2.800     1.000     1.000 peak    27 spectrum    1 weight  0.11000E+01 volume  0.21046E-02 ppm1      0.798 ppm2      0.586 CV     1
 ASSI {   28}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 44   and name HG2%)
      4.000     2.000     2.000 peak    28 spectrum    1 weight  0.11000E+01 volume  0.62550E-03 ppm1      0.798 ppm2      0.833 CV     1
 ASSI {   29}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 61   and name HD1%)
      3.500     1.600     1.600 peak    29 spectrum    1 weight  0.11000E+01 volume  0.17484E-02 ppm1      0.795 ppm2      0.578 CV     1
 ASSI {   30}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 64   and name HG2%)
      3.200     1.300     1.300 peak    30 spectrum    1 weight  0.11000E+01 volume  0.18476E-02 ppm1      0.800 ppm2      0.366 CV     1
 ASSI {   34}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 27   and name HB% )
      2.800     1.000     1.000 peak    34 spectrum    1 weight  0.11000E+01 volume  0.19933E-02 ppm1      0.580 ppm2      1.155 CV     1
 ASSI {   35}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 65   and name HD1%)
      3.200     1.300     1.300 peak    35 spectrum    1 weight  0.11000E+01 volume  0.12795E-02 ppm1      0.575 ppm2      0.550 CV     1
 ASSI {   37}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
      2.800     2.800     3.200 peak    37 spectrum    1 weight  0.11000E+01 volume  0.12112E-01 ppm1      0.879 ppm2      0.833 CV     1
 ASSI {   40}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      4.000     2.000     2.000 peak    40 spectrum    1 weight  0.11000E+01 volume  0.10505E-02 ppm1      0.363 ppm2      0.578 CV     1
 ASSI {   41}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 65   and name HD2%)
      3.400     3.400     2.600 peak    41 spectrum    1 weight  0.11000E+01 volume  0.52284E-02 ppm1      0.364 ppm2      0.624 CV     1
 ASSI {   43}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 27   and name HB% )
      3.300     1.300     1.300 peak    43 spectrum    1 weight  0.11000E+01 volume  0.13647E-02 ppm1      0.551 ppm2      1.156 CV     1
 ASSI {   45}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 44   and name HD1%)
      3.000     1.100     1.100 peak    45 spectrum    1 weight  0.11000E+01 volume  0.15804E-02 ppm1      0.547 ppm2      0.586 CV     1
 ASSI {   47}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 17   and name HD1%)
      3.000     1.100     1.100 peak    47 spectrum    1 weight  0.11000E+01 volume  0.20449E-02 ppm1      0.625 ppm2      0.537 CV     1
 ASSI {   48}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 44   and name HD1%)
      3.400     1.500     1.500 peak    48 spectrum    1 weight  0.11000E+01 volume  0.14842E-02 ppm1      0.625 ppm2      0.586 CV     1
 ASSI {   49}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 44   and name HG2%)
      2.900     1.000     1.000 peak    49 spectrum    1 weight  0.11000E+01 volume  0.11856E-02 ppm1      0.630 ppm2      0.833 CV     1
 ASSI {   51}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 93   and name HD2%)
      2.600     2.600     3.400 peak    51 spectrum    1 weight  0.11000E+01 volume  0.12177E-01 ppm1      0.627 ppm2      0.867 CV     1
 ASSI {   55}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 29   and name HG2%)
      3.200     1.300     1.300 peak    55 spectrum    1 weight  0.11000E+01 volume  0.12107E-02 ppm1      0.379 ppm2      0.581 CV     1
 ASSI {   60}
   (  segid "    " and resid 73   and name HG1%)
   (  segid "    " and resid 71   and name HG2%)
      2.900     1.100     1.100 peak    60 spectrum    1 weight  0.11000E+01 volume  0.22903E-02 ppm1      0.549 ppm2      0.379 CV     1
 ASSI {   62}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 29   and name HG1%)
      3.300     1.300     1.300 peak    62 spectrum    1 weight  0.11000E+01 volume  0.12214E-02 ppm1      0.586 ppm2      0.567 CV     1
 ASSI {   63}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 87   and name HD1%)
      3.800     1.800     1.800 peak    63 spectrum    1 weight  0.11000E+01 volume  0.72832E-03 ppm1      0.587 ppm2      0.545 CV     1
 ASSI {   65}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 85   and name HB% )
      3.000     1.200     1.200 peak    65 spectrum    1 weight  0.11000E+01 volume  0.24347E-02 ppm1      0.788 ppm2      1.476 CV     1
 ASSI {   72}
   (  segid "    " and resid 86   and name HB% )
   (  segid "    " and resid 75   and name HG2%)
      3.700     1.700     1.700 peak    72 spectrum    1 weight  0.11000E+01 volume  0.14114E-02 ppm1      1.663 ppm2      0.852 CV     1
 ASSI {   74}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 85   and name HB% )
      2.900     1.000     1.000 peak    74 spectrum    1 weight  0.11000E+01 volume  0.11744E-02 ppm1      0.192 ppm2      1.476 CV     1
 ASSI {   76}
   (  segid "    " and resid 91   and name HD1%)
   (  segid "    " and resid 12   and name HD1%)
      2.800     1.000     1.000 peak    76 spectrum    1 weight  0.11000E+01 volume  0.13187E-02 ppm1      0.709 ppm2      0.809 CV     1
 ASSI {   77}
   (  segid "    " and resid 93   and name HD2%)
   (  segid "    " and resid 71   and name HG1%)
      2.900     1.000     1.000 peak    77 spectrum    1 weight  0.11000E+01 volume  0.11549E-02 ppm1      0.869 ppm2      0.318 CV     1
 ASSI {   78}
   (  segid "    " and resid 93   and name HD2%)
   (  segid "    " and resid 72   and name HD1%)
      3.000     1.100     1.100 peak    78 spectrum    1 weight  0.11000E+01 volume  0.10222E-02 ppm1      0.863 ppm2      0.890 CV     1
 ASSI {    3}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.700     0.700 peak     3 spectrum    1 weight  0.11000E+01 volume  0.92713E-02 ppm1      8.299 ppm2      4.342 CV     1
 ASSI {    4}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak     4 spectrum    1 weight  0.11000E+01 volume  0.32167E-02 ppm1      8.298 ppm2      4.372 CV     1
 ASSI {    5}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.800     0.800 peak     5 spectrum    1 weight  0.11000E+01 volume  0.49961E-02 ppm1      8.299 ppm2      4.372 CV     1
 ASSI {    6}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.600     0.600 peak     6 spectrum    1 weight  0.11000E+01 volume  0.11851E-01 ppm1      7.385 ppm2      4.633 CV     1
 ASSI {    7}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak     7 spectrum    1 weight  0.11000E+01 volume  0.24610E-02 ppm1      7.387 ppm2      4.723 CV     1
 ASSI {    9}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.700     1.700     1.700 peak     9 spectrum    1 weight  0.11000E+01 volume  0.16127E-02 ppm1      7.388 ppm2      0.808 CV     1
 ASSI {   10}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.300     1.300     1.300 peak    10 spectrum    1 weight  0.11000E+01 volume  0.20303E-02 ppm1      7.382 ppm2      0.778 CV     1
 ASSI {   11}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.300     1.400     1.400 peak    11 spectrum    1 weight  0.11000E+01 volume  0.24620E-02 ppm1      9.233 ppm2      0.808 CV     1
 ASSI {   12}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      2.800     1.000     1.000 peak    12 spectrum    1 weight  0.11000E+01 volume  0.39668E-02 ppm1      9.231 ppm2      0.778 CV     1
 ASSI {   13}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak    13 spectrum    1 weight  0.11000E+01 volume  0.19180E-02 ppm1      9.233 ppm2      4.911 CV     1
 ASSI {   14}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.300     1.400     1.400 peak    14 spectrum    1 weight  0.11000E+01 volume  0.11923E-02 ppm1      9.234 ppm2      5.126 CV     1
 ASSI {   15}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.100     0.600     0.600 peak    15 spectrum    1 weight  0.11000E+01 volume  0.14692E-01 ppm1      8.737 ppm2      4.911 CV     1
 ASSI {   16}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak    16 spectrum    1 weight  0.11000E+01 volume  0.97148E-02 ppm1      9.052 ppm2      4.849 CV     1
 ASSI {   17}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 71   and name HG2%)
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.11000E+01 volume  0.15935E-02 ppm1      9.052 ppm2      0.379 CV     1
 ASSI {   18}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.500     1.600     1.600 peak    18 spectrum    1 weight  0.11000E+01 volume  0.15887E-02 ppm1      9.052 ppm2      4.912 CV     1
 ASSI {   20}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.100     0.600     0.600 peak    20 spectrum    1 weight  0.11000E+01 volume  0.76925E-02 ppm1      8.819 ppm2      5.256 CV     1
 ASSI {   23}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.800     1.800     1.800 peak    23 spectrum    1 weight  0.11000E+01 volume  0.10896E-02 ppm1      9.219 ppm2      4.218 CV     1
 ASSI {   24}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak    24 spectrum    1 weight  0.11000E+01 volume  0.21466E-02 ppm1      7.400 ppm2      4.520 CV     1
 ASSI {   25}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.600     1.600     1.600 peak    25 spectrum    1 weight  0.11000E+01 volume  0.14822E-02 ppm1      7.404 ppm2      4.218 CV     1
 ASSI {   26}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak    26 spectrum    1 weight  0.11000E+01 volume  0.41411E-02 ppm1      7.400 ppm2      4.747 CV     1
 ASSI {   27}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.500     0.500 peak    27 spectrum    1 weight  0.11000E+01 volume  0.14543E-01 ppm1      9.375 ppm2      4.747 CV     1
 ASSI {   28}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak    28 spectrum    1 weight  0.11000E+01 volume  0.20865E-02 ppm1      9.373 ppm2      4.272 CV     1
 ASSI {   31}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.400     1.400 peak    31 spectrum    1 weight  0.11000E+01 volume  0.98558E-03 ppm1      7.303 ppm2      4.371 CV     1
 ASSI {   32}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.000     1.000 peak    32 spectrum    1 weight  0.11000E+01 volume  0.22065E-02 ppm1      7.309 ppm2      4.649 CV     1
 ASSI {   33}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak    33 spectrum    1 weight  0.11000E+01 volume  0.17432E-02 ppm1      7.975 ppm2      4.203 CV     1
 ASSI {   34}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak    34 spectrum    1 weight  0.11000E+01 volume  0.85746E-03 ppm1      7.989 ppm2      4.371 CV     1
 ASSI {   35}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.11000E+01 volume  0.73373E-02 ppm1      7.979 ppm2      3.791 CV     1
 ASSI {   37}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak    37 spectrum    1 weight  0.11000E+01 volume  0.47954E-02 ppm1      7.330 ppm2      3.791 CV     1
 ASSI {   38}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak    38 spectrum    1 weight  0.11000E+01 volume  0.28899E-02 ppm1      7.330 ppm2      4.646 CV     1
 ASSI {   39}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.400     2.400     1.600 peak    39 spectrum    1 weight  0.11000E+01 volume  0.70984E-03 ppm1      7.317 ppm2      4.426 CV     1
 ASSI {   40}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak    40 spectrum    1 weight  0.11000E+01 volume  0.64509E-02 ppm1      8.172 ppm2      4.646 CV     1
 ASSI {   43}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.300     1.400     1.400 peak    43 spectrum    1 weight  0.11000E+01 volume  0.17529E-02 ppm1      8.987 ppm2      4.272 CV     1
 ASSI {   44}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.600     0.600 peak    44 spectrum    1 weight  0.11000E+01 volume  0.71402E-02 ppm1      8.988 ppm2      5.003 CV     1
 ASSI {   45}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.100     1.100 peak    45 spectrum    1 weight  0.11000E+01 volume  0.20087E-02 ppm1      8.989 ppm2      5.606 CV     1
 ASSI {   46}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak    46 spectrum    1 weight  0.11000E+01 volume  0.70129E-02 ppm1      8.996 ppm2      5.606 CV     1
 ASSI {   47}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak    47 spectrum    1 weight  0.11000E+01 volume  0.13793E-02 ppm1      8.996 ppm2      4.655 CV     1
 ASSI {   48}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak    48 spectrum    1 weight  0.11000E+01 volume  0.77116E-02 ppm1      8.983 ppm2      4.655 CV     1
 ASSI {   49}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.11000E+01 volume  0.15809E-02 ppm1      8.983 ppm2      5.078 CV     1
 ASSI {   50}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.300     0.700     0.700 peak    50 spectrum    1 weight  0.11000E+01 volume  0.66544E-02 ppm1      9.022 ppm2      5.078 CV     1
 ASSI {   51}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.200     1.200 peak    51 spectrum    1 weight  0.11000E+01 volume  0.16592E-02 ppm1      9.022 ppm2      5.274 CV     1
 ASSI {   52}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak    52 spectrum    1 weight  0.11000E+01 volume  0.22179E-02 ppm1      8.249 ppm2      5.274 CV     1
 ASSI {   55}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak    55 spectrum    1 weight  0.11000E+01 volume  0.23769E-02 ppm1      8.711 ppm2      4.480 CV     1
 ASSI {   56}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      2.800     1.000     1.000 peak    56 spectrum    1 weight  0.11000E+01 volume  0.28886E-02 ppm1      8.713 ppm2      1.109 CV     1
 ASSI {   57}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.300     1.300 peak    57 spectrum    1 weight  0.11000E+01 volume  0.15398E-02 ppm1      8.711 ppm2      3.931 CV     1
 ASSI {   58}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.500     2.500     1.500 peak    58 spectrum    1 weight  0.11000E+01 volume  0.81284E-03 ppm1      7.688 ppm2      4.480 CV     1
 ASSI {   59}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      2.700     0.900     0.900 peak    59 spectrum    1 weight  0.11000E+01 volume  0.47840E-02 ppm1      7.689 ppm2      1.109 CV     1
 ASSI {   60}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.200     1.200 peak    60 spectrum    1 weight  0.11000E+01 volume  0.21667E-02 ppm1      7.690 ppm2      3.931 CV     1
 ASSI {   61}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak    61 spectrum    1 weight  0.11000E+01 volume  0.37362E-02 ppm1      7.689 ppm2      4.533 CV     1
 ASSI {   62}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak    62 spectrum    1 weight  0.11000E+01 volume  0.12311E-02 ppm1      8.841 ppm2      4.533 CV     1
 ASSI {   63}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak    63 spectrum    1 weight  0.11000E+01 volume  0.45478E-02 ppm1      9.798 ppm2      5.087 CV     1
 ASSI {   64}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.200     1.200 peak    64 spectrum    1 weight  0.11000E+01 volume  0.13137E-02 ppm1      9.136 ppm2      4.616 CV     1
 ASSI {   65}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
      3.600     1.600     1.600 peak    65 spectrum    1 weight  0.11000E+01 volume  0.11049E-02 ppm1      9.131 ppm2      1.476 CV     1
 ASSI {   66}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.11000E+01 volume  0.14072E-02 ppm1      9.144 ppm2      4.955 CV     1
 ASSI {   67}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 87   and name HD1%)
      3.300     1.400     1.400 peak    67 spectrum    1 weight  0.11000E+01 volume  0.13004E-02 ppm1      9.130 ppm2      0.545 CV     1
 ASSI {   68}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak    68 spectrum    1 weight  0.11000E+01 volume  0.13200E-02 ppm1      8.887 ppm2      4.646 CV     1
 ASSI {   69}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.300     0.700     0.700 peak    69 spectrum    1 weight  0.11000E+01 volume  0.72531E-02 ppm1      8.892 ppm2      4.616 CV     1
 ASSI {   70}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak    70 spectrum    1 weight  0.11000E+01 volume  0.12084E-02 ppm1      8.894 ppm2      4.986 CV     1
 ASSI {   71}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak    71 spectrum    1 weight  0.11000E+01 volume  0.23030E-02 ppm1      8.481 ppm2      4.646 CV     1
 ASSI {   73}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.11000E+01 volume  0.20372E-02 ppm1      8.477 ppm2      3.924 CV     1
 ASSI {   74}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.800     1.800     1.800 peak    74 spectrum    1 weight  0.11000E+01 volume  0.94280E-03 ppm1      8.763 ppm2      4.426 CV     1
 ASSI {   75}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.800     0.800 peak    75 spectrum    1 weight  0.11000E+01 volume  0.46078E-02 ppm1      8.763 ppm2      4.314 CV     1
 ASSI {   76}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak    76 spectrum    1 weight  0.11000E+01 volume  0.21863E-02 ppm1      7.889 ppm2      4.314 CV     1
 ASSI {   77}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.000     1.000 peak    77 spectrum    1 weight  0.11000E+01 volume  0.26807E-02 ppm1      7.889 ppm2      4.972 CV     1
 ASSI {   78}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak    78 spectrum    1 weight  0.11000E+01 volume  0.16702E-02 ppm1      7.688 ppm2      4.314 CV     1
 ASSI {   79}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak    79 spectrum    1 weight  0.11000E+01 volume  0.23332E-02 ppm1      7.689 ppm2      4.972 CV     1
 ASSI {   80}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.900     1.100     1.100 peak    80 spectrum    1 weight  0.11000E+01 volume  0.17924E-02 ppm1      7.692 ppm2      3.802 CV     1
 ASSI {   81}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak    81 spectrum    1 weight  0.11000E+01 volume  0.40862E-02 ppm1      7.835 ppm2      3.802 CV     1
 ASSI {   83}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.300     0.700     0.700 peak    83 spectrum    1 weight  0.11000E+01 volume  0.75830E-02 ppm1      8.488 ppm2      4.100 CV     1
 ASSI {   84}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.11000E+01 volume  0.32749E-02 ppm1      8.487 ppm2      3.377 CV     1
 ASSI {   85}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.400     1.400 peak    85 spectrum    1 weight  0.11000E+01 volume  0.11191E-02 ppm1      8.901 ppm2      3.377 CV     1
 ASSI {   86}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak    86 spectrum    1 weight  0.11000E+01 volume  0.27414E-02 ppm1      8.899 ppm2      4.078 CV     1
 ASSI {   87}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.11000E+01 volume  0.32172E-02 ppm1      7.803 ppm2      4.358 CV     1
 ASSI {   88}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.100     1.100 peak    88 spectrum    1 weight  0.11000E+01 volume  0.33832E-02 ppm1      7.911 ppm2      4.358 CV     1
 ASSI {   89}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.500     0.800     0.800 peak    89 spectrum    1 weight  0.11000E+01 volume  0.39398E-02 ppm1      7.911 ppm2      4.772 CV     1
 ASSI {   90}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.11000E+01 volume  0.33757E-02 ppm1      8.746 ppm2      4.570 CV     1
 ASSI {   91}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak    91 spectrum    1 weight  0.11000E+01 volume  0.13776E-02 ppm1      8.743 ppm2      4.214 CV     1
 ASSI {   92}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.200     1.200 peak    92 spectrum    1 weight  0.11000E+01 volume  0.17473E-02 ppm1      8.538 ppm2      4.214 CV     1
 ASSI {   93}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.200     1.200 peak    93 spectrum    1 weight  0.11000E+01 volume  0.22419E-02 ppm1      8.537 ppm2      4.655 CV     1
 ASSI {   94}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.400     1.400 peak    94 spectrum    1 weight  0.11000E+01 volume  0.10518E-02 ppm1      7.769 ppm2      4.214 CV     1
 ASSI {   95}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak    95 spectrum    1 weight  0.11000E+01 volume  0.36316E-02 ppm1      7.767 ppm2      4.655 CV     1
 ASSI {   96}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.11000E+01 volume  0.38505E-02 ppm1      7.768 ppm2      4.424 CV     1
 ASSI {   97}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak    97 spectrum    1 weight  0.11000E+01 volume  0.20100E-02 ppm1      8.024 ppm2      4.424 CV     1
 ASSI {   98}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.600     1.600 peak    98 spectrum    1 weight  0.11000E+01 volume  0.74947E-03 ppm1      8.031 ppm2      4.335 CV     1
 ASSI {  100}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.100     0.600     0.600 peak   100 spectrum    1 weight  0.11000E+01 volume  0.12720E-01 ppm1      8.301 ppm2      4.543 CV     1
 ASSI {  101}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak   101 spectrum    1 weight  0.11000E+01 volume  0.23385E-02 ppm1      8.301 ppm2      4.967 CV     1
 ASSI {  102}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   102 spectrum    1 weight  0.11000E+01 volume  0.49213E-02 ppm1      9.568 ppm2      4.967 CV     1
 ASSI {  103}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.100     1.100 peak   103 spectrum    1 weight  0.11000E+01 volume  0.14903E-02 ppm1      9.565 ppm2      3.789 CV     1
 ASSI {  104}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.600     1.600     1.600 peak   104 spectrum    1 weight  0.11000E+01 volume  0.10903E-02 ppm1      8.301 ppm2      4.967 CV     1
 ASSI {  105}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.200     1.200 peak   105 spectrum    1 weight  0.11000E+01 volume  0.17539E-02 ppm1      8.300 ppm2      3.789 CV     1
 ASSI {  106}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   106 spectrum    1 weight  0.11000E+01 volume  0.54508E-02 ppm1      8.299 ppm2      4.175 CV     1
 ASSI {  107}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.500     1.500 peak   107 spectrum    1 weight  0.11000E+01 volume  0.10167E-02 ppm1      7.832 ppm2      3.789 CV     1
 ASSI {  108}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   108 spectrum    1 weight  0.11000E+01 volume  0.18791E-02 ppm1      7.833 ppm2      4.175 CV     1
 ASSI {  109}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   109 spectrum    1 weight  0.11000E+01 volume  0.45066E-02 ppm1      7.833 ppm2      4.730 CV     1
 ASSI {  110}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      4.100     2.100     1.900 peak   110 spectrum    1 weight  0.11000E+01 volume  0.71860E-03 ppm1      7.836 ppm2      3.841 CV     1
 ASSI {  113}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   113 spectrum    1 weight  0.11000E+01 volume  0.16365E-02 ppm1      7.181 ppm2      4.730 CV     1
 ASSI {  115}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     3.200     2.800 peak   115 spectrum    1 weight  0.11000E+01 volume  0.64798E-03 ppm1      7.148 ppm2      4.175 CV     1
 ASSI {  116}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.500     1.500 peak   116 spectrum    1 weight  0.11000E+01 volume  0.14779E-02 ppm1      7.144 ppm2      3.841 CV     1
 ASSI {  117}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.11000E+01 volume  0.14051E-02 ppm1      7.147 ppm2      5.115 CV     1
 ASSI {  119}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.600     0.900     0.900 peak   119 spectrum    1 weight  0.11000E+01 volume  0.33873E-02 ppm1      8.016 ppm2      4.577 CV     1
 ASSI {  120}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.000     0.500     0.500 peak   120 spectrum    1 weight  0.11000E+01 volume  0.14709E-01 ppm1      9.043 ppm2      4.577 CV     1
 ASSI {  121}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak   121 spectrum    1 weight  0.11000E+01 volume  0.40034E-02 ppm1      9.042 ppm2      3.646 CV     1
 ASSI {  122}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     1.500     1.500 peak   122 spectrum    1 weight  0.11000E+01 volume  0.94212E-03 ppm1      9.235 ppm2      4.520 CV     1
 ASSI {  123}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.200     3.200     2.800 peak   123 spectrum    1 weight  0.11000E+01 volume  0.60485E-03 ppm1      9.234 ppm2      4.577 CV     1
 ASSI {  126}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   126 spectrum    1 weight  0.11000E+01 volume  0.42491E-02 ppm1      7.719 ppm2      4.221 CV     1
 ASSI {  127}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.000     0.500     0.500 peak   127 spectrum    1 weight  0.11000E+01 volume  0.13196E-01 ppm1      8.680 ppm2      4.221 CV     1
 ASSI {  129}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.100     0.600     0.600 peak   129 spectrum    1 weight  0.11000E+01 volume  0.86355E-02 ppm1      8.605 ppm2      5.230 CV     1
 ASSI {  130}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     3.000     3.000 peak   130 spectrum    1 weight  0.11000E+01 volume  0.16704E-02 ppm1      8.606 ppm2      4.777 CV     1
 ASSI {  131}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     2.300     3.700 peak   131 spectrum    1 weight  0.11000E+01 volume  0.61965E-02 ppm1      7.287 ppm2      4.777 CV     1
 ASSI {  133}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak   133 spectrum    1 weight  0.11000E+01 volume  0.96231E-03 ppm1      9.068 ppm2      4.849 CV     1
 ASSI {  134}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   134 spectrum    1 weight  0.11000E+01 volume  0.94239E-02 ppm1      9.070 ppm2      4.912 CV     1
 ASSI {  135}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   135 spectrum    1 weight  0.11000E+01 volume  0.15678E-02 ppm1      9.071 ppm2      5.325 CV     1
 ASSI {  136}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   136 spectrum    1 weight  0.11000E+01 volume  0.58407E-02 ppm1      8.656 ppm2      5.325 CV     1
 ASSI {  137}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.200     1.200 peak   137 spectrum    1 weight  0.11000E+01 volume  0.15183E-02 ppm1      8.656 ppm2      5.126 CV     1
 ASSI {  138}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.600     1.600     1.600 peak   138 spectrum    1 weight  0.11000E+01 volume  0.12092E-02 ppm1      8.655 ppm2      5.177 CV     1
 ASSI {  139}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.11000E+01 volume  0.46355E-02 ppm1      8.632 ppm2      5.126 CV     1
 ASSI {  140}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   140 spectrum    1 weight  0.11000E+01 volume  0.10626E-02 ppm1      8.636 ppm2      3.945 CV     1
 ASSI {  141}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.11000E+01 volume  0.30617E-02 ppm1      8.635 ppm2      1.947 CV     1
 ASSI {  142}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      4.000     2.000     2.000 peak   142 spectrum    1 weight  0.11000E+01 volume  0.12782E-02 ppm1      8.638 ppm2      0.852 CV     1
 ASSI {  143}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.400     0.700     0.700 peak   143 spectrum    1 weight  0.11000E+01 volume  0.45678E-02 ppm1      9.265 ppm2      3.945 CV     1
 ASSI {  145}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak   145 spectrum    1 weight  0.11000E+01 volume  0.18863E-02 ppm1      9.267 ppm2      4.820 CV     1
 ASSI {  146}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.400     1.500     1.500 peak   146 spectrum    1 weight  0.11000E+01 volume  0.13688E-02 ppm1      9.265 ppm2      1.664 CV     1
 ASSI {  147}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   147 spectrum    1 weight  0.11000E+01 volume  0.17555E-02 ppm1      9.267 ppm2      5.159 CV     1
 ASSI {  148}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 87   and name HD2%)
      4.000     2.000     2.000 peak   148 spectrum    1 weight  0.11000E+01 volume  0.13816E-02 ppm1      9.267 ppm2      0.185 CV     1
 ASSI {  149}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak   149 spectrum    1 weight  0.11000E+01 volume  0.85931E-03 ppm1      7.829 ppm2      3.945 CV     1
 ASSI {  150}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      2.900     1.000     1.000 peak   150 spectrum    1 weight  0.11000E+01 volume  0.26540E-02 ppm1      7.833 ppm2      0.852 CV     1
 ASSI {  151}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.100     1.100 peak   151 spectrum    1 weight  0.11000E+01 volume  0.35646E-02 ppm1      7.831 ppm2      4.820 CV     1
 ASSI {  152}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   152 spectrum    1 weight  0.11000E+01 volume  0.26850E-02 ppm1      7.831 ppm2      4.540 CV     1
 ASSI {  153}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      2.700     0.900     0.900 peak   153 spectrum    1 weight  0.11000E+01 volume  0.39644E-02 ppm1      7.833 ppm2      1.664 CV     1
 ASSI {  154}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   154 spectrum    1 weight  0.11000E+01 volume  0.11709E-01 ppm1      8.634 ppm2      4.540 CV     1
 ASSI {  155}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak   155 spectrum    1 weight  0.11000E+01 volume  0.58473E-02 ppm1      8.641 ppm2      4.242 CV     1
 ASSI {  156}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.11000E+01 volume  0.45565E-02 ppm1      8.207 ppm2      4.112 CV     1
 ASSI {  157}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.400     1.400     1.400 peak   157 spectrum    1 weight  0.11000E+01 volume  0.11596E-02 ppm1      8.058 ppm2      4.688 CV     1
 ASSI {  159}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      4.200     2.200     1.800 peak   159 spectrum    1 weight  0.11000E+01 volume  0.67642E-03 ppm1      8.434 ppm2      4.688 CV     1
 ASSI {  161}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak   161 spectrum    1 weight  0.11000E+01 volume  0.23708E-02 ppm1      8.459 ppm2      4.271 CV     1
 ASSI {  163}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.200     0.600     0.600 peak   163 spectrum    1 weight  0.11000E+01 volume  0.96922E-02 ppm1      8.633 ppm2      4.271 CV     1
 ASSI {  164}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.11000E+01 volume  0.57604E-02 ppm1      8.958 ppm2      4.955 CV     1
 ASSI {  165}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.600     1.700     1.700 peak   165 spectrum    1 weight  0.11000E+01 volume  0.10043E-02 ppm1      8.436 ppm2      0.612 CV     1
 ASSI {  167}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.300     1.300 peak   167 spectrum    1 weight  0.11000E+01 volume  0.10843E-02 ppm1      8.436 ppm2      4.927 CV     1
 ASSI {  168}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB  ))
      3.500     1.600     1.600 peak   168 spectrum    1 weight  0.11000E+01 volume  0.74543E-03 ppm1      8.438 ppm2      4.159 CV     1
 ASSI {  169}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   169 spectrum    1 weight  0.11000E+01 volume  0.23754E-02 ppm1      7.951 ppm2      4.927 CV     1
 ASSI {  170}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.11000E+01 volume  0.13869E-02 ppm1      7.962 ppm2      5.177 CV     1
 ASSI {  171}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.11000E+01 volume  0.14874E-02 ppm1      9.027 ppm2      5.177 CV     1
 ASSI {  172}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.100     1.200     1.200 peak   172 spectrum    1 weight  0.11000E+01 volume  0.18393E-02 ppm1      9.038 ppm2      4.690 CV     1
 ASSI {  173}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.11000E+01 volume  0.72606E-02 ppm1      7.674 ppm2      4.690 CV     1
 ASSI {  174}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.100     1.100 peak   174 spectrum    1 weight  0.11000E+01 volume  0.22405E-02 ppm1      7.674 ppm2      4.092 CV     1
 ASSI {  175}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.500     0.800     0.800 peak   175 spectrum    1 weight  0.11000E+01 volume  0.58593E-02 ppm1      9.061 ppm2      4.092 CV     1
 ASSI {  177}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.700     0.900     0.900 peak   177 spectrum    1 weight  0.11000E+01 volume  0.45368E-02 ppm1      8.447 ppm2      4.611 CV     1
 ASSI {  180}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.900     1.100     1.100 peak   180 spectrum    1 weight  0.11000E+01 volume  0.29052E-02 ppm1      7.887 ppm2      4.335 CV     1
 ASSI {  181}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HB% )
      2.400     0.700     0.700 peak   181 spectrum    1 weight  0.11000E+01 volume  0.85904E-02 ppm1      8.288 ppm2      1.417 CV     1
 ASSI {  182}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HB% )
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.11000E+01 volume  0.28119E-02 ppm1      8.297 ppm2      1.417 CV     1
 ASSI {  183}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 71   and name HG1%)
      3.900     1.900     1.900 peak   183 spectrum    1 weight  0.11000E+01 volume  0.13565E-02 ppm1      9.045 ppm2      0.319 CV     1
 ASSI {  184}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
      3.000     1.100     1.100 peak   184 spectrum    1 weight  0.11000E+01 volume  0.26455E-02 ppm1      8.101 ppm2      0.567 CV     1
 ASSI {  185}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
      2.800     1.000     1.000 peak   185 spectrum    1 weight  0.11000E+01 volume  0.20740E-02 ppm1      8.814 ppm2      0.537 CV     1
 ASSI {  188}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      3.600     1.600     1.600 peak   188 spectrum    1 weight  0.11000E+01 volume  0.14581E-02 ppm1      9.371 ppm2      0.694 CV     1
 ASSI {  191}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      3.000     1.100     1.100 peak   191 spectrum    1 weight  0.11000E+01 volume  0.18138E-02 ppm1      7.310 ppm2      0.578 CV     1
 ASSI {  195}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      3.100     1.200     1.200 peak   195 spectrum    1 weight  0.11000E+01 volume  0.16260E-02 ppm1      8.179 ppm2      0.578 CV     1
 ASSI {  196}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.600     0.800     0.800 peak   196 spectrum    1 weight  0.11000E+01 volume  0.41482E-02 ppm1      8.984 ppm2      1.156 CV     1
 ASSI {  197}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      3.200     1.200     1.200 peak   197 spectrum    1 weight  0.11000E+01 volume  0.18591E-02 ppm1      8.985 ppm2      0.580 CV     1
 ASSI {  198}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      2.700     0.900     0.900 peak   198 spectrum    1 weight  0.11000E+01 volume  0.30300E-02 ppm1      8.973 ppm2      1.019 CV     1
 ASSI {  199}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
      2.900     1.100     1.100 peak   199 spectrum    1 weight  0.11000E+01 volume  0.19670E-02 ppm1      8.975 ppm2      0.567 CV     1
 ASSI {  202}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      3.300     1.400     1.400 peak   202 spectrum    1 weight  0.11000E+01 volume  0.13131E-02 ppm1      8.890 ppm2      0.580 CV     1
 ASSI {  205}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      2.800     1.000     1.000 peak   205 spectrum    1 weight  0.11000E+01 volume  0.19571E-02 ppm1      7.840 ppm2      0.833 CV     1
 ASSI {  206}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      2.500     0.800     0.800 peak   206 spectrum    1 weight  0.11000E+01 volume  0.46121E-02 ppm1      7.834 ppm2      1.148 CV     1
 ASSI {  207}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      2.700     0.900     0.900 peak   207 spectrum    1 weight  0.11000E+01 volume  0.35346E-02 ppm1      8.475 ppm2      1.148 CV     1
 ASSI {  208}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HB% )
      2.700     0.900     0.900 peak   208 spectrum    1 weight  0.11000E+01 volume  0.40167E-02 ppm1      8.739 ppm2      1.469 CV     1
 ASSI {  209}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.11000E+01 volume  0.37445E-02 ppm1      7.669 ppm2      1.284 CV     1
 ASSI {  210}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      2.800     0.900     0.900 peak   210 spectrum    1 weight  0.11000E+01 volume  0.29919E-02 ppm1      9.556 ppm2      0.878 CV     1
 ASSI {  212}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.900     1.900     1.900 peak   212 spectrum    1 weight  0.11000E+01 volume  0.14812E-02 ppm1      7.819 ppm2      0.109 CV     1
 ASSI {  213}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      3.100     1.200     1.200 peak   213 spectrum    1 weight  0.11000E+01 volume  0.19458E-02 ppm1      7.823 ppm2      0.366 CV     1
 ASSI {  214}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.800     1.800     1.800 peak   214 spectrum    1 weight  0.11000E+01 volume  0.13316E-02 ppm1      7.179 ppm2      0.109 CV     1
 ASSI {  215}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      2.800     1.000     1.000 peak   215 spectrum    1 weight  0.11000E+01 volume  0.48439E-02 ppm1      7.177 ppm2      0.366 CV     1
 ASSI {  216}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.300     1.300     1.300 peak   216 spectrum    1 weight  0.11000E+01 volume  0.14128E-02 ppm1      7.155 ppm2      0.109 CV     1
 ASSI {  217}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      3.700     1.700     1.700 peak   217 spectrum    1 weight  0.11000E+01 volume  0.20915E-02 ppm1      7.137 ppm2      0.366 CV     1
 ASSI {  220}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HG1%)
      3.100     1.200     1.200 peak   220 spectrum    1 weight  0.11000E+01 volume  0.19107E-02 ppm1      8.607 ppm2      0.319 CV     1
 ASSI {  221}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HG2%)
      2.500     0.800     0.800 peak   221 spectrum    1 weight  0.11000E+01 volume  0.48223E-02 ppm1      8.603 ppm2      0.379 CV     1
 ASSI {  224}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     0.700     0.700 peak   224 spectrum    1 weight  0.11000E+01 volume  0.76603E-02 ppm1      9.066 ppm2      0.590 CV     1
 ASSI {  226}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.200     1.300     1.300 peak   226 spectrum    1 weight  0.11000E+01 volume  0.16865E-02 ppm1      8.625 ppm2      0.791 CV     1
 ASSI {  227}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.300     1.400     1.400 peak   227 spectrum    1 weight  0.11000E+01 volume  0.15462E-02 ppm1      8.633 ppm2      0.852 CV     1
 ASSI {  228}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
      3.500     1.500     1.500 peak   228 spectrum    1 weight  0.11000E+01 volume  0.12199E-02 ppm1      8.691 ppm2      1.476 CV     1
 ASSI {  229}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      2.300     0.700     0.700 peak   229 spectrum    1 weight  0.11000E+01 volume  0.10381E-01 ppm1      8.631 ppm2      1.664 CV     1
 ASSI {  233}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.700     1.800     1.800 peak   233 spectrum    1 weight  0.11000E+01 volume  0.21594E-02 ppm1      7.670 ppm2      0.856 CV     1
 ASSI {  234}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.000     3.000     3.000 peak   234 spectrum    1 weight  0.11000E+01 volume  0.21063E-02 ppm1      9.055 ppm2      0.856 CV     1
 ASSI {    4}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 91   and name HD1%)
      3.800     1.800     1.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.51513E-03 ppm1      7.291 ppm2      0.713 CV     1
 ASSI {    8}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
      4.700     2.800     1.300 peak     8 spectrum    1 weight  0.10000E+01 volume  0.33182E-03 ppm1      9.136 ppm2      3.913 CV     1
 ASSI {   10}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     2.900     3.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.31663E-02 ppm1      8.636 ppm2      8.414 CV     1
 ASSI {   12}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      4.100     2.100     1.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.67660E-03 ppm1      8.251 ppm2      6.577 CV     1
 ASSI {   13}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      4.100     2.100     1.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.51121E-03 ppm1      6.806 ppm2      6.567 CV     1
 ASSI {   16}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak    16 spectrum    1 weight  0.10000E+01 volume  0.14982E-02 ppm1      8.998 ppm2      9.201 CV     1
 ASSI {   17}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.400     2.400     3.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.35743E-02 ppm1      8.452 ppm2      8.079 CV     1
 ASSI {   18}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HD% )
      3.700     1.700     1.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.10651E-02 ppm1      9.032 ppm2      7.381 CV     1
 ASSI {   24}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HD% )
      3.300     1.300     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.17012E-02 ppm1      9.227 ppm2      7.104 CV     1
 ASSI {   25}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD% )
      3.600     3.600     2.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12077E-02 ppm1      8.751 ppm2      7.100 CV     1
 ASSI {   35}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.400     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.20677E-02 ppm1      8.956 ppm2      8.618 CV     1
 ASSI {   37}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.400     1.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17260E-02 ppm1      7.402 ppm2      9.361 CV     1
 ASSI {   47}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     3.500     2.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.17904E-02 ppm1      7.979 ppm2      8.283 CV     1
 ASSI {   48}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.100     2.100     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.49680E-03 ppm1      7.330 ppm2      8.490 CV     1
 ASSI {   49}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.24505E-02 ppm1      7.328 ppm2      8.157 CV     1
 ASSI {   50}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.300     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.83016E-03 ppm1      8.063 ppm2      8.443 CV     1
 ASSI {   56}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.12599E-02 ppm1      8.172 ppm2      8.490 CV     1
 ASSI {   60}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.200     1.300     1.300 peak    60 spectrum    1 weight  0.10000E+01 volume  0.11615E-02 ppm1      8.985 ppm2      7.125 CV     1
 ASSI {   79}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.300     2.400     1.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.48014E-03 ppm1      7.681 ppm2      8.761 CV     1
 ASSI {   85}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
      3.900     1.900     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.69547E-03 ppm1      8.633 ppm2      2.298 CV     1
 ASSI {   87}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.000     3.100     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.37607E-03 ppm1      7.324 ppm2      8.297 CV     1
 ASSI {   90}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.55994E-03 ppm1      8.481 ppm2      7.933 CV     1
 ASSI {   91}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.300     2.300     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.72675E-03 ppm1      8.488 ppm2      7.834 CV     1
 ASSI {   93}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.100     2.100     1.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.50425E-03 ppm1      8.896 ppm2      8.728 CV     1
 ASSI {   96}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      4.700     2.800     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.31771E-03 ppm1      7.832 ppm2      4.282 CV     1
 ASSI {   99}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
      4.100     2.100     1.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.88648E-03 ppm1      7.798 ppm2      6.952 CV     1
 ASSI {  100}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      3.200     3.200     2.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.23829E-02 ppm1      7.797 ppm2      8.409 CV     1
 ASSI {  101}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HD% )
      2.700     2.700     3.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.19375E-02 ppm1      7.799 ppm2      7.311 CV     1
 ASSI {  102}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     2.600     3.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.45134E-02 ppm1      7.907 ppm2      8.722 CV     1
 ASSI {  106}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
      2.400     2.400     3.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.31540E-02 ppm1      7.906 ppm2      6.949 CV     1
 ASSI {  110}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      4.400     2.400     1.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.42729E-03 ppm1      8.427 ppm2      9.013 CV     1
 ASSI {  116}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.22449E-02 ppm1      9.068 ppm2      9.208 CV     1
 ASSI {  117}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 48   and name HE% )
      3.600     1.600     1.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.74317E-03 ppm1      7.292 ppm2      7.025 CV     1
 ASSI {  121}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HD21))
      3.800     1.800     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.53209E-03 ppm1      7.189 ppm2      7.702 CV     1
 ASSI {  123}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 36   and name HE1 ))
      4.000     2.000     2.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.72681E-03 ppm1      8.998 ppm2      7.851 CV     1
 ASSI {  124}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.200     2.200     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.41294E-03 ppm1      7.292 ppm2      8.614 CV     1
 ASSI {  126}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HD22))
      4.200     2.200     1.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.73243E-03 ppm1      7.178 ppm2      6.829 CV     1
 ASSI {  129}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HE21))
      4.200     2.200     1.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.67783E-03 ppm1      7.144 ppm2      7.576 CV     1
 ASSI {  132}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 69   and name HE21))
      2.600     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.23539E-02 ppm1      8.016 ppm2      7.543 CV     1
 ASSI {  136}
   (( segid "    " and resid 69   and name HE21))
   (( segid "    " and resid 17   and name HB  ))
      3.900     1.900     1.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.43187E-03 ppm1      7.546 ppm2      2.366 CV     1
 ASSI {  137}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.38019E-03 ppm1      8.298 ppm2      7.843 CV     1
 ASSI {  139}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.400     2.400     1.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.31709E-03 ppm1      8.299 ppm2      9.575 CV     1
 ASSI {  140}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.37282E-03 ppm1      7.833 ppm2      9.578 CV     1
 ASSI {  148}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG13))
      4.500     2.600     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.30484E-03 ppm1      9.565 ppm2      1.056 CV     1
 ASSI {  149}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      2.500     0.800     0.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      9.565 ppm2      1.704 CV     1
 ASSI {  150}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      4.600     2.600     1.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.44452E-03 ppm1      9.565 ppm2      1.973 CV     1
 ASSI {  152}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      4.600     2.600     1.400 peak   152 spectrum    1 weight  0.10000E+01 volume  0.38545E-03 ppm1      9.563 ppm2      2.992 CV     1
 ASSI {  156}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.000     1.100     1.100 peak   156 spectrum    1 weight  0.10000E+01 volume  0.20567E-02 ppm1      9.044 ppm2      4.589 CV     1
 ASSI {  158}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB  ))
      4.600     2.700     1.400 peak   158 spectrum    1 weight  0.10000E+01 volume  0.35666E-03 ppm1      7.951 ppm2      4.150 CV     1
 ASSI {  160}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA2 ))
      3.000     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.20595E-02 ppm1      8.410 ppm2      4.017 CV     1
 OR {  160}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA1 ))
 ASSI {  161}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.900     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.27003E-02 ppm1      9.056 ppm2      3.912 CV     1
 OR {  161}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB3 ))
 ASSI {  164}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB  ))
      3.400     1.500     1.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.14120E-02 ppm1      9.051 ppm2      1.908 CV     1
 ASSI {  166}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG13))
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.29224E-02 ppm1      7.673 ppm2      1.396 CV     1
 ASSI {  167}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB  ))
      2.800     1.000     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.26670E-02 ppm1      7.673 ppm2      1.910 CV     1
 ASSI {  171}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      2.700     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.40162E-02 ppm1      9.029 ppm2      3.075 CV     1
 OR {  171}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI {  172}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HB  ))
      4.800     2.900     1.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.30725E-03 ppm1      9.028 ppm2      4.162 CV     1
 ASSI {  173}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.600     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.84391E-03 ppm1      7.952 ppm2      0.585 CV     1
 ASSI {  174}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 89   and name HG2%)
      3.500     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.10830E-02 ppm1      7.951 ppm2      0.970 CV     1
 ASSI {  175}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HG2%)
      3.600     1.600     1.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.79060E-03 ppm1      7.952 ppm2      1.157 CV     1
 ASSI {  177}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     3.300     2.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.72189E-03 ppm1      7.953 ppm2      3.113 CV     1
 ASSI {  178}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.500     3.500     2.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.31022E-03 ppm1      8.956 ppm2      2.979 CV     1
 ASSI {  181}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 87   and name HD2%)
      2.900     2.900     3.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.10921E-02 ppm1      8.432 ppm2      0.187 CV     1
 ASSI {  182}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 73   and name HG1%)
      3.000     1.200     1.200 peak   182 spectrum    1 weight  0.10000E+01 volume  0.18413E-02 ppm1      8.429 ppm2      0.569 CV     1
 ASSI {  183}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HG2%)
      2.600     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.42246E-02 ppm1      8.430 ppm2      1.135 CV     1
 ASSI {  184}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   184 spectrum    1 weight  0.10000E+01 volume  0.14704E-02 ppm1      8.428 ppm2      1.507 CV     1
 ASSI {  185}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.900     1.100     1.100 peak   185 spectrum    1 weight  0.10000E+01 volume  0.16122E-02 ppm1      8.430 ppm2      1.940 CV     1
 ASSI {  186}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
      4.100     2.100     1.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.36535E-03 ppm1      8.429 ppm2      2.303 CV     1
 ASSI {  188}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.600     1.700     1.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.92987E-03 ppm1      8.954 ppm2      1.087 CV     1
 ASSI {  189}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG  ))
      2.600     0.800     0.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.33738E-02 ppm1      8.954 ppm2      1.503 CV     1
 OR {  189}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  190}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.100     1.200     1.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.29525E-02 ppm1      8.955 ppm2      1.658 CV     1
 ASSI {  191}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.500     3.500     2.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.34901E-03 ppm1      8.962 ppm2      1.824 CV     1
 ASSI {  192}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HD2%)
      4.100     2.100     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.62559E-03 ppm1      8.954 ppm2      0.176 CV     1
 ASSI {  193}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.400     1.400     1.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.85890E-03 ppm1      8.634 ppm2      0.845 CV     1
 ASSI {  194}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
      2.900     1.100     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.53561E-02 ppm1      8.633 ppm2      1.470 CV     1
 ASSI {  195}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.300     1.400     1.400 peak   195 spectrum    1 weight  0.10000E+01 volume  0.96642E-03 ppm1      8.633 ppm2      1.833 CV     1
 ASSI {  197}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
      3.800     1.800     1.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.71518E-03 ppm1      8.633 ppm2      1.925 CV     1
 ASSI {  198}
   (( segid "    " and resid 82   and name HD21))
   (( segid "    " and resid 82   and name HB2 ))
      3.100     1.200     1.200 peak   198 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      7.532 ppm2      2.860 CV     1
 OR {  198}
   (( segid "    " and resid 82   and name HD21))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI {  200}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
      3.900     1.900     1.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.95841E-03 ppm1      8.426 ppm2      1.485 CV     1
 OR {  200}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HG3 ))
 ASSI {  202}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      3.600     3.600     2.400 peak   202 spectrum    1 weight  0.10000E+01 volume  0.30631E-03 ppm1      8.425 ppm2      1.778 CV     1
 ASSI {  203}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.200     1.300     1.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.16873E-02 ppm1      8.427 ppm2      1.973 CV     1
 ASSI {  204}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.600     1.600     1.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.93712E-03 ppm1      8.426 ppm2      2.344 CV     1
 OR {  204}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI {  205}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.10223E-02 ppm1      8.061 ppm2      1.493 CV     1
 OR {  205}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG3 ))
 ASSI {  206}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      4.000     2.000     2.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.37370E-03 ppm1      8.042 ppm2      1.680 CV     1
 ASSI {  207}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      3.500     1.500     1.500 peak   207 spectrum    1 weight  0.10000E+01 volume  0.13076E-02 ppm1      8.062 ppm2      1.931 CV     1
 ASSI {  208}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.900     1.900     1.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.51218E-03 ppm1      8.063 ppm2      2.863 CV     1
 OR {  208}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI {  210}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB3 ))
      4.000     2.000     2.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.49590E-03 ppm1      8.306 ppm2      2.005 CV     1
 ASSI {  212}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.000     1.100     1.100 peak   212 spectrum    1 weight  0.10000E+01 volume  0.14678E-02 ppm1      8.203 ppm2      1.666 CV     1
 ASSI {  214}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      3.200     1.300     1.300 peak   214 spectrum    1 weight  0.10000E+01 volume  0.15706E-02 ppm1      8.199 ppm2      1.808 CV     1
 ASSI {  215}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.400     1.400     1.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.15672E-02 ppm1      8.198 ppm2      1.891 CV     1
 ASSI {  216}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.900     1.900     1.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      8.196 ppm2      2.007 CV     1
 ASSI {  221}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.22652E-02 ppm1      8.696 ppm2      4.102 CV     1
 ASSI {  225}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG3 ))
      3.500     1.500     1.500 peak   225 spectrum    1 weight  0.10000E+01 volume  0.21405E-02 ppm1      8.635 ppm2      1.477 CV     1
 OR {  225}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  226}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.900     1.900     1.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.73188E-03 ppm1      8.633 ppm2      1.689 CV     1
 ASSI {  227}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.900     1.100     1.100 peak   227 spectrum    1 weight  0.10000E+01 volume  0.68555E-02 ppm1      8.636 ppm2      2.005 CV     1
 ASSI {  228}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.500     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.38960E-02 ppm1      8.636 ppm2      2.142 CV     1
 ASSI {  229}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG3 ))
      2.900     1.000     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.46501E-02 ppm1      8.636 ppm2      2.353 CV     1
 OR {  229}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG2 ))
 ASSI {  231}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HG12))
      5.100     3.300     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.31406E-03 ppm1      7.831 ppm2      0.970 CV     1
 ASSI {  232}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.21102E-02 ppm1      7.830 ppm2      1.473 CV     1
 OR {  232}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI {  237}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.62014E-02 ppm1      8.427 ppm2      4.421 CV     1
 ASSI {  239}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG12))
      4.500     2.600     1.500 peak   239 spectrum    1 weight  0.10000E+01 volume  0.67493E-03 ppm1      9.269 ppm2      0.969 CV     1
 ASSI {  243}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak   243 spectrum    1 weight  0.10000E+01 volume  0.17554E-02 ppm1      9.267 ppm2      2.308 CV     1
 ASSI {  245}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.000     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.16014E-02 ppm1      9.267 ppm2      2.546 CV     1
 ASSI {  247}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.200     0.600     0.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.11485E-01 ppm1      8.294 ppm2      1.818 CV     1
 OR {  247}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  248}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.500     1.500     1.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.66954E-03 ppm1      8.105 ppm2      2.767 CV     1
 ASSI {  249}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG2 ))
      2.700     0.900     0.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.19962E-02 ppm1      8.294 ppm2      1.510 CV     1
 ASSI {  251}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      2.200     0.600     0.600 peak   251 spectrum    1 weight  0.10000E+01 volume  0.70122E-02 ppm1      8.294 ppm2      0.876 CV     1
 ASSI {  253}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.600     1.600     1.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.13842E-02 ppm1      8.294 ppm2      0.714 CV     1
 ASSI {  254}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.600     1.600     1.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.11083E-02 ppm1      8.407 ppm2      8.211 CV     1
 ASSI {  255}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.15559E-02 ppm1      7.291 ppm2      4.908 CV     1
 ASSI {  257}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      2.700     2.700     3.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.16550E-02 ppm1      8.633 ppm2      0.821 CV     1
 ASSI {  258}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG12))
      2.900     1.000     1.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.16869E-02 ppm1      8.634 ppm2      0.976 CV     1
 ASSI {  259}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.75960E-03 ppm1      8.974 ppm2      4.273 CV     1
 ASSI {  260}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG13))
      3.600     1.600     1.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.15090E-02 ppm1      8.636 ppm2      1.522 CV     1
 ASSI {  261}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   261 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1      8.834 ppm2      5.330 CV     1
 ASSI {  265}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      4.200     2.200     1.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.86321E-03 ppm1      8.635 ppm2      2.175 CV     1
 ASSI {  266}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG1%)
      3.300     1.400     1.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.25907E-02 ppm1      8.652 ppm2      0.568 CV     1
 OR {  266}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  269}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 87   and name HD2%)
      4.600     2.600     1.400 peak   269 spectrum    1 weight  0.10000E+01 volume  0.37863E-03 ppm1      8.653 ppm2      0.172 CV     1
 ASSI {  275}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 91   and name HD1%)
      3.300     1.400     1.400 peak   275 spectrum    1 weight  0.10000E+01 volume  0.15807E-02 ppm1      9.065 ppm2      0.722 CV     1
 ASSI {  276}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      2.900     1.000     1.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.41112E-02 ppm1      9.066 ppm2      0.842 CV     1
 ASSI {  277}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG12))
      4.800     2.800     1.200 peak   277 spectrum    1 weight  0.10000E+01 volume  0.48423E-03 ppm1      9.066 ppm2      1.257 CV     1
 ASSI {  279}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 71   and name HG1%)
      3.900     1.900     1.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.14451E-02 ppm1      7.288 ppm2      0.341 CV     1
 ASSI {  280}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HG1%)
      3.500     1.600     1.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.78184E-03 ppm1      7.288 ppm2      0.562 CV     1
 OR {  280}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  282}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG12))
      2.700     0.900     0.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      7.287 ppm2      1.269 CV     1
 ASSI {  283}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))
      2.800     1.000     1.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.25232E-02 ppm1      7.288 ppm2      1.426 CV     1
 ASSI {  285}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.34259E-02 ppm1      7.289 ppm2      1.901 CV     1
 ASSI {  286}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HG3 ))
      4.100     2.100     1.900 peak   286 spectrum    1 weight  0.10000E+01 volume  0.37794E-03 ppm1      7.284 ppm2      2.129 CV     1
 ASSI {  295}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))
      4.000     2.000     2.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.62630E-03 ppm1      8.604 ppm2      1.418 CV     1
 ASSI {  298}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      4.000     2.000     2.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.15307E-02 ppm1      8.605 ppm2      2.100 CV     1
 ASSI {  299}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG2 ))
      4.900     3.000     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.39291E-03 ppm1      8.603 ppm2      2.427 CV     1
 ASSI {  301}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.300     0.700     0.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.64586E-02 ppm1      8.673 ppm2      2.083 CV     1
 ASSI {  302}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.900     1.900     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.14404E-02 ppm1      8.671 ppm2      2.281 CV     1
 ASSI {  305}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA1 ))
      3.300     1.300     1.300 peak   305 spectrum    1 weight  0.10000E+01 volume  0.16146E-02 ppm1      7.716 ppm2      4.439 CV     1
 ASSI {  307}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak   307 spectrum    1 weight  0.10000E+01 volume  0.28747E-02 ppm1      7.716 ppm2      3.628 CV     1
 ASSI {  309}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      3.800     1.800     1.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.87300E-03 ppm1      7.672 ppm2      3.071 CV     1
 OR {  309}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
 ASSI {  310}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 74   and name HB2 ))
      4.000     2.000     2.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.36587E-03 ppm1      7.333 ppm2      1.937 CV     1
 OR {  310}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  313}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HB2 ))
      4.700     2.700     1.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.36451E-03 ppm1      6.967 ppm2      1.943 CV     1
 OR {  313}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  315}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.200     1.300     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.11535E-02 ppm1      7.716 ppm2      1.677 CV     1
 OR {  315}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  316}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      2.300     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.58305E-02 ppm1      7.716 ppm2      2.066 CV     1
 ASSI {  319}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   319 spectrum    1 weight  0.10000E+01 volume  0.19428E-02 ppm1      8.292 ppm2      4.635 CV     1
 ASSI {  323}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.400     1.500     1.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.15334E-02 ppm1      8.299 ppm2      1.723 CV     1
 ASSI {  324}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.100     0.600     0.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.69869E-02 ppm1      9.220 ppm2      4.280 CV     1
 ASSI {  327}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     2.900     3.100 peak   327 spectrum    1 weight  0.10000E+01 volume  0.29607E-02 ppm1      7.399 ppm2      4.259 CV     1
 ASSI {  329}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.300     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.65105E-02 ppm1      7.716 ppm2      2.289 CV     1
 ASSI {  330}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
      3.800     1.800     1.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.91324E-03 ppm1      7.717 ppm2      0.533 CV     1
 ASSI {  331}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
      3.500     1.500     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      7.715 ppm2      1.564 CV     1
 OR {  331}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  332}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HD21))
      3.900     1.900     1.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.43613E-03 ppm1      8.293 ppm2      7.700 CV     1
 ASSI {  333}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 60   and name HD21))
      1.600     0.300     0.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.27331E-01 ppm1      6.823 ppm2      7.710 CV     1
 ASSI {  335}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.300     1.300     1.300 peak   335 spectrum    1 weight  0.10000E+01 volume  0.19899E-02 ppm1      8.246 ppm2      5.061 CV     1
 ASSI {  337}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.17926E-02 ppm1      6.803 ppm2      4.472 CV     1
 ASSI {  340}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.400     2.400     1.600 peak   340 spectrum    1 weight  0.10000E+01 volume  0.32529E-03 ppm1      9.041 ppm2      8.013 CV     1
 ASSI {  342}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.41699E-03 ppm1      8.454 ppm2      9.125 CV     1
 ASSI {  347}
   (( segid "    " and resid 60   and name HD21))
   (( segid "    " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.29300E-03 ppm1      7.718 ppm2      9.568 CV     1
 ASSI {  351}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.500     2.500     1.500 peak   351 spectrum    1 weight  0.10000E+01 volume  0.22935E-03 ppm1      7.672 ppm2      8.166 CV     1
 ASSI {  353}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      5.400     3.700     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.18036E-03 ppm1      7.660 ppm2      8.019 CV     1
 ASSI {  354}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.800     1.800     1.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.65133E-03 ppm1      9.227 ppm2      4.287 CV     1
 ASSI {  355}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA1 ))
      2.400     0.700     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.41454E-02 ppm1      9.229 ppm2      4.445 CV     1
 ASSI {  359}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
      4.900     3.000     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.33283E-03 ppm1      9.227 ppm2      0.558 CV     1
 ASSI {  361}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 16   and name HG3 ))
      4.200     2.200     1.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.73920E-03 ppm1      9.229 ppm2      1.334 CV     1
 ASSI {  362}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.400     1.400     1.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.62200E-03 ppm1      9.229 ppm2      1.677 CV     1
 OR {  362}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  364}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.100     1.200     1.200 peak   364 spectrum    1 weight  0.10000E+01 volume  0.24814E-02 ppm1      9.229 ppm2      1.977 CV     1
 OR {  364}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  366}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
      2.900     1.000     1.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.24400E-02 ppm1      9.230 ppm2      2.385 CV     1
 ASSI {  368}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      3.000     1.100     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.24267E-02 ppm1      9.041 ppm2      0.697 CV     1
 ASSI {  369}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
      3.600     1.600     1.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.11979E-02 ppm1      9.041 ppm2      1.588 CV     1
 OR {  369}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  370}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      3.400     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.28630E-02 ppm1      9.042 ppm2      1.695 CV     1
 ASSI {  373}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.32280E-02 ppm1      9.042 ppm2      1.852 CV     1
 ASSI {  374}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.500     0.800     0.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.84022E-02 ppm1      9.041 ppm2      1.984 CV     1
 OR {  374}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
 ASSI {  376}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG3 ))
      2.200     0.600     0.600 peak   376 spectrum    1 weight  0.10000E+01 volume  0.60627E-02 ppm1      9.041 ppm2      2.261 CV     1
 OR {  376}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  377}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HD2%)
      3.100     1.200     1.200 peak   377 spectrum    1 weight  0.10000E+01 volume  0.25618E-02 ppm1      8.014 ppm2      0.618 CV     1
 ASSI {  378}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.600     0.800     0.800 peak   378 spectrum    1 weight  0.10000E+01 volume  0.26547E-02 ppm1      8.015 ppm2      1.177 CV     1
 ASSI {  379}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.300     1.400     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.22964E-02 ppm1      8.015 ppm2      1.377 CV     1
 ASSI {  380}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
      2.900     1.100     1.100 peak   380 spectrum    1 weight  0.10000E+01 volume  0.20510E-02 ppm1      8.014 ppm2      1.589 CV     1
 OR {  380}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  381}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      2.700     0.900     0.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.34545E-02 ppm1      8.014 ppm2      1.687 CV     1
 ASSI {  382}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.400     1.400     1.400 peak   382 spectrum    1 weight  0.10000E+01 volume  0.16505E-02 ppm1      8.014 ppm2      1.819 CV     1
 ASSI {  384}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.400     1.400     1.400 peak   384 spectrum    1 weight  0.10000E+01 volume  0.87738E-03 ppm1      8.061 ppm2      4.424 CV     1
 ASSI {  387}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.12203E-02 ppm1      7.145 ppm2      0.697 CV     1
 ASSI {  388}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      3.700     1.700     1.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.12464E-02 ppm1      7.145 ppm2      1.178 CV     1
 ASSI {  389}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.34132E-02 ppm1      7.145 ppm2      1.382 CV     1
 OR {  389}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI {  390}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.800     1.000     1.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.20032E-02 ppm1      7.145 ppm2      1.623 CV     1
 ASSI {  392}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.500     2.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.45791E-03 ppm1      9.036 ppm2      4.945 CV     1
 ASSI {  395}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.22958E-02 ppm1      8.411 ppm2      4.372 CV     1
 ASSI {  397}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.300     1.400     1.400 peak   397 spectrum    1 weight  0.10000E+01 volume  0.10374E-02 ppm1      7.180 ppm2      0.712 CV     1
 OR {  397}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {  398}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.600     2.700     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.50264E-03 ppm1      7.182 ppm2      1.381 CV     1
 OR {  398}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI {  399}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.800     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.22834E-02 ppm1      7.180 ppm2      1.621 CV     1
 ASSI {  400}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB3 ))
      4.000     2.000     2.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.72175E-03 ppm1      8.401 ppm2      2.035 CV     1
 ASSI {  401}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.500     0.800     0.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.69239E-02 ppm1      8.317 ppm2      1.669 CV     1
 OR {  401}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 OR {  401}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  402}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.000     1.100     1.100 peak   402 spectrum    1 weight  0.10000E+01 volume  0.25883E-02 ppm1      8.380 ppm2      1.665 CV     1
 OR {  402}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  402}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  404}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.12938E-02 ppm1      8.302 ppm2      2.213 CV     1
 ASSI {  408}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.900     1.900     1.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.43198E-03 ppm1      8.402 ppm2      4.183 CV     1
 ASSI {  409}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.68678E-02 ppm1      8.317 ppm2      4.448 CV     1
 ASSI {  414}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG3 ))
      4.200     2.200     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.35835E-03 ppm1      8.336 ppm2      2.396 CV     1
 OR {  414}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  418}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.58075E-02 ppm1      8.351 ppm2      1.821 CV     1
 ASSI {  420}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.13197E-02 ppm1      8.293 ppm2      1.886 CV     1
 ASSI {  421}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.800     1.800     1.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.94103E-03 ppm1      8.295 ppm2      1.825 CV     1
 ASSI {  422}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      3.900     1.900     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.40641E-03 ppm1      8.267 ppm2      1.631 CV     1
 OR {  422}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
 ASSI {  423}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      3.900     1.900     1.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.64673E-03 ppm1      8.294 ppm2      1.523 CV     1
 OR {  423}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HG13))
 ASSI {  425}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.800     1.800     1.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.84323E-03 ppm1      8.294 ppm2      3.004 CV     1
 ASSI {  432}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
      4.000     2.000     2.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.66638E-03 ppm1      8.293 ppm2      1.991 CV     1
 ASSI {  433}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.800     1.800     1.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.92850E-03 ppm1      7.376 ppm2      2.845 CV     1
 ASSI {  434}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      2.400     0.700     0.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.57216E-02 ppm1      7.378 ppm2      1.531 CV     1
 ASSI {  435}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.100     1.200     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.29762E-02 ppm1      7.378 ppm2      0.805 CV     1
 OR {  435}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
 ASSI {  436}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.900     1.900     1.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.11753E-02 ppm1      7.377 ppm2      2.707 CV     1
 ASSI {  437}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      4.300     2.300     1.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.56681E-03 ppm1      9.225 ppm2      3.283 CV     1
 ASSI {  438}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      3.900     1.900     1.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.11763E-02 ppm1      9.223 ppm2      1.532 CV     1
 ASSI {  439}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.100     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.11836E-02 ppm1      9.227 ppm2      2.437 CV     1
 ASSI {  441}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.200     1.300     1.300 peak   441 spectrum    1 weight  0.10000E+01 volume  0.24259E-02 ppm1      9.225 ppm2      0.781 CV     1
 OR {  441}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
 ASSI {  442}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.300     1.400     1.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.13300E-02 ppm1      9.224 ppm2      0.577 CV     1
 OR {  442}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 73   and name HG1%)
 ASSI {  444}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.900     1.900     1.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.13474E-02 ppm1      8.748 ppm2      2.427 CV     1
 ASSI {  445}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.800     0.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.44720E-02 ppm1      8.747 ppm2      1.890 CV     1
 ASSI {  446}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.600     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.43903E-02 ppm1      8.747 ppm2      1.724 CV     1
 ASSI {  447}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.800     1.800     1.800 peak   447 spectrum    1 weight  0.10000E+01 volume  0.11348E-02 ppm1      8.745 ppm2      1.468 CV     1
 ASSI {  448}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG3 ))
      3.800     1.800     1.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.12318E-02 ppm1      8.748 ppm2      1.405 CV     1
 ASSI {  449}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.800     1.800     1.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.80107E-03 ppm1      8.743 ppm2      0.844 CV     1
 ASSI {  450}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.800     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.23251E-02 ppm1      8.748 ppm2      3.303 CV     1
 ASSI {  451}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 70   and name HG3 ))
      4.600     2.700     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.37919E-03 ppm1      9.046 ppm2      2.130 CV     1
 ASSI {  452}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.100     2.100     1.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.11127E-02 ppm1      9.050 ppm2      1.894 CV     1
 ASSI {  453}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG3 ))
      3.800     1.800     1.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.97285E-03 ppm1      9.054 ppm2      1.401 CV     1
 ASSI {  456}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.600     1.600     1.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.13525E-02 ppm1      9.049 ppm2      1.720 CV     1
 OR {  456}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD3 ))
 OR {  456}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI {  457}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.800     1.800     1.800 peak   457 spectrum    1 weight  0.10000E+01 volume  0.88094E-03 ppm1      9.048 ppm2      1.475 CV     1
 ASSI {  458}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      4.200     2.200     1.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.85288E-03 ppm1      9.049 ppm2      0.857 CV     1
 ASSI {  460}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.300     2.300     1.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.58358E-03 ppm1      8.104 ppm2      2.133 CV     1
 ASSI {  461}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.400     2.400     1.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.33345E-03 ppm1      8.108 ppm2      1.019 CV     1
 ASSI {  463}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 71   and name HG2%)
      4.300     2.300     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.36469E-03 ppm1      8.105 ppm2      0.356 CV     1
 ASSI {  464}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.43683E-02 ppm1      8.105 ppm2      1.662 CV     1
 OR {  464}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  465}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.10483E-02 ppm1      8.105 ppm2      1.346 CV     1
 ASSI {  466}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
      2.800     1.000     1.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.38632E-02 ppm1      8.106 ppm2      0.565 CV     1
 OR {  466}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  467}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
      2.400     0.700     0.700 peak   467 spectrum    1 weight  0.10000E+01 volume  0.33493E-02 ppm1      8.817 ppm2      2.386 CV     1
 ASSI {  469}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG12))
      3.300     1.300     1.300 peak   469 spectrum    1 weight  0.10000E+01 volume  0.25856E-02 ppm1      8.818 ppm2      1.535 CV     1
 ASSI {  471}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.600     1.600     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.58176E-03 ppm1      8.409 ppm2      4.651 CV     1
 ASSI {  472}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 71   and name HG1%)
      4.000     2.000     2.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.67375E-03 ppm1      8.814 ppm2      0.343 CV     1
 ASSI {  473}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.800     1.000     1.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.20613E-02 ppm1      8.818 ppm2      1.662 CV     1
 OR {  473}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  474}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      3.500     1.500     1.500 peak   474 spectrum    1 weight  0.10000E+01 volume  0.12021E-02 ppm1      8.404 ppm2      1.772 CV     1
 ASSI {  475}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      4.900     3.000     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.31252E-03 ppm1      9.204 ppm2      1.889 CV     1
 ASSI {  477}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG13))
      4.400     2.400     1.600 peak   477 spectrum    1 weight  0.10000E+01 volume  0.31380E-03 ppm1      9.227 ppm2      1.332 CV     1
 ASSI {  479}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.900     1.900     1.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.57186E-03 ppm1      9.225 ppm2      1.133 CV     1
 ASSI {  480}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      2.600     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.23303E-02 ppm1      9.220 ppm2      1.016 CV     1
 ASSI {  481}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      2.500     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.32484E-02 ppm1      9.221 ppm2      0.765 CV     1
 ASSI {  483}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.000     1.100     1.100 peak   483 spectrum    1 weight  0.10000E+01 volume  0.23944E-02 ppm1      7.400 ppm2      1.993 CV     1
 ASSI {  484}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.500     0.800     0.800 peak   484 spectrum    1 weight  0.10000E+01 volume  0.27859E-02 ppm1      7.400 ppm2      1.882 CV     1
 ASSI {  486}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG3 ))
      4.000     2.000     2.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.10098E-02 ppm1      7.398 ppm2      1.581 CV     1
 ASSI {  487}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.500     1.500     1.500 peak   487 spectrum    1 weight  0.10000E+01 volume  0.11214E-02 ppm1      7.399 ppm2      1.163 CV     1
 ASSI {  488}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.900     1.900     1.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.13697E-02 ppm1      7.400 ppm2      1.018 CV     1
 ASSI {  489}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      2.400     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.55495E-02 ppm1      7.400 ppm2      0.766 CV     1
 ASSI {  491}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.400     0.700     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.57356E-02 ppm1      9.370 ppm2      1.817 CV     1
 ASSI {  492}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      2.900     1.000     1.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.17251E-02 ppm1      9.371 ppm2      1.663 CV     1
 ASSI {  493}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG3 ))
      3.400     1.500     1.500 peak   493 spectrum    1 weight  0.10000E+01 volume  0.15238E-02 ppm1      9.371 ppm2      1.573 CV     1
 ASSI {  494}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG12))
      3.500     1.500     1.500 peak   494 spectrum    1 weight  0.10000E+01 volume  0.22093E-02 ppm1      9.369 ppm2      1.460 CV     1
 ASSI {  495}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.500     1.500     1.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.14306E-02 ppm1      9.371 ppm2      0.784 CV     1
 ASSI {  496}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      3.300     1.300     1.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.26295E-02 ppm1      9.370 ppm2      0.707 CV     1
 OR {  496}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  499}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.800     1.800     1.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.17595E-02 ppm1      9.369 ppm2      1.994 CV     1
 ASSI {  501}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.600     0.800     0.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.21982E-02 ppm1      7.399 ppm2      2.950 CV     1
 ASSI {  502}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   502 spectrum    1 weight  0.10000E+01 volume  0.20223E-02 ppm1      9.219 ppm2      4.652 CV     1
 ASSI {  506}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak   506 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      8.816 ppm2      4.277 CV     1
 ASSI {  509}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.600     2.600     1.400 peak   509 spectrum    1 weight  0.10000E+01 volume  0.34400E-03 ppm1      9.221 ppm2      8.746 CV     1
 ASSI {  510}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.700     0.900     0.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.29227E-02 ppm1      8.978 ppm2      2.768 CV     1
 ASSI {  512}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.900     1.100     1.100 peak   512 spectrum    1 weight  0.10000E+01 volume  0.23543E-02 ppm1      8.978 ppm2      2.128 CV     1
 ASSI {  513}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      3.500     1.500     1.500 peak   513 spectrum    1 weight  0.10000E+01 volume  0.12498E-02 ppm1      8.976 ppm2      1.668 CV     1
 ASSI {  517}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
      2.600     0.900     0.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.40472E-02 ppm1      8.979 ppm2      0.565 CV     1
 OR {  517}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  522}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.200     1.300     1.300 peak   522 spectrum    1 weight  0.10000E+01 volume  0.11028E-02 ppm1      8.997 ppm2      3.317 CV     1
 ASSI {  523}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.400     2.400     1.600 peak   523 spectrum    1 weight  0.10000E+01 volume  0.76049E-03 ppm1      8.996 ppm2      3.115 CV     1
 ASSI {  524}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.900     1.000     1.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.16460E-02 ppm1      8.996 ppm2      2.991 CV     1
 ASSI {  526}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      2.700     0.900     0.900 peak   526 spectrum    1 weight  0.10000E+01 volume  0.25759E-02 ppm1      8.997 ppm2      1.680 CV     1
 ASSI {  528}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      2.700     0.900     0.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.46797E-02 ppm1      8.997 ppm2      0.568 CV     1
 OR {  528}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI {  529}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.100     3.200     0.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.32017E-03 ppm1      8.990 ppm2      1.984 CV     1
 ASSI {  530}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.600     1.600     1.600 peak   530 spectrum    1 weight  0.10000E+01 volume  0.63336E-03 ppm1      8.984 ppm2      1.857 CV     1
 ASSI {  531}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 19   and name HG3 ))
      4.900     3.000     1.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.38366E-03 ppm1      8.971 ppm2      1.589 CV     1
 ASSI {  532}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 17   and name HG13))
      4.000     2.000     2.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.37633E-03 ppm1      8.976 ppm2      1.334 CV     1
 ASSI {  533}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.300     1.400     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.11040E-02 ppm1      8.982 ppm2      0.762 CV     1
 ASSI {  537}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      8.990 ppm2      2.953 CV     1
 ASSI {  538}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.800     1.800     1.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      8.172 ppm2      4.417 CV     1
 ASSI {  540}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.600     2.700     1.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.35234E-03 ppm1      8.176 ppm2      1.388 CV     1
 ASSI {  541}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.500     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.45178E-02 ppm1      8.173 ppm2      1.158 CV     1
 ASSI {  544}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 39   and name HD2%)
      3.800     1.900     1.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.49789E-03 ppm1      8.172 ppm2      0.322 CV     1
 ASSI {  545}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.500     1.500 peak   545 spectrum    1 weight  0.10000E+01 volume  0.12322E-02 ppm1      7.325 ppm2      2.325 CV     1
 OR {  545}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI {  546}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.700     1.700     1.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.14489E-02 ppm1      7.326 ppm2      2.211 CV     1
 ASSI {  548}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.100     2.100     1.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.33560E-03 ppm1      7.327 ppm2      1.389 CV     1
 ASSI {  549}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      2.600     0.900     0.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.27894E-02 ppm1      7.327 ppm2      0.879 CV     1
 ASSI {  550}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.900     1.900     1.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.73605E-03 ppm1      7.328 ppm2      0.691 CV     1
 ASSI {  554}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.300     1.400     1.400 peak   554 spectrum    1 weight  0.10000E+01 volume  0.56601E-03 ppm1      7.328 ppm2      1.102 CV     1
 ASSI {  558}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      3.600     1.600     1.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.12723E-02 ppm1      7.977 ppm2      0.881 CV     1
 ASSI {  559}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      2.700     0.900     0.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.41426E-02 ppm1      7.976 ppm2      2.318 CV     1
 OR {  559}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  559}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  566}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      4.300     2.300     1.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.29093E-03 ppm1      7.289 ppm2      4.214 CV     1
 ASSI {  567}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.600     1.600     1.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.77137E-03 ppm1      7.304 ppm2      4.041 CV     1
 OR {  567}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  569}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.900     3.000     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.54586E-03 ppm1      7.301 ppm2      3.786 CV     1
 ASSI {  572}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      3.200     1.300     1.300 peak   572 spectrum    1 weight  0.10000E+01 volume  0.19186E-02 ppm1      7.300 ppm2      1.834 CV     1
 ASSI {  573}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.000     1.200     1.200 peak   573 spectrum    1 weight  0.10000E+01 volume  0.34453E-02 ppm1      7.301 ppm2      1.726 CV     1
 ASSI {  579}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      3.700     1.700     1.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.14369E-02 ppm1      8.832 ppm2      2.341 CV     1
 OR {  579}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  580}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.900     1.000     1.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.17186E-02 ppm1      8.833 ppm2      2.202 CV     1
 ASSI {  581}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.800     1.000     1.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.29550E-02 ppm1      8.833 ppm2      1.867 CV     1
 ASSI {  582}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG12))
      4.700     2.700     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.43394E-03 ppm1      8.835 ppm2      1.439 CV     1
 ASSI {  583}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.90400E-03 ppm1      8.834 ppm2      1.131 CV     1
 ASSI {  585}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.800     1.000     1.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.34304E-02 ppm1      8.832 ppm2      0.707 CV     1
 ASSI {  587}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.200     0.600     0.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.64833E-02 ppm1      8.833 ppm2      4.266 CV     1
 ASSI {  589}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      4.900     3.000     1.100 peak   589 spectrum    1 weight  0.10000E+01 volume  0.36360E-03 ppm1      8.835 ppm2      3.903 CV     1
 ASSI {  591}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.800     1.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.70272E-03 ppm1      8.984 ppm2      9.212 CV     1
 ASSI {  593}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA2 ))
      4.700     2.700     1.300 peak   593 spectrum    1 weight  0.10000E+01 volume  0.41279E-03 ppm1      9.017 ppm2      3.680 CV     1
 ASSI {  594}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.300     2.300     1.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.61906E-03 ppm1      9.021 ppm2      3.127 CV     1
 ASSI {  596}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
      3.700     1.700     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.75166E-03 ppm1      9.022 ppm2      0.568 CV     1
 ASSI {  598}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      4.800     2.900     1.200 peak   598 spectrum    1 weight  0.10000E+01 volume  0.46520E-03 ppm1      8.245 ppm2      2.152 CV     1
 ASSI {  599}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      2.600     0.800     0.800 peak   599 spectrum    1 weight  0.10000E+01 volume  0.41341E-02 ppm1      6.803 ppm2      1.110 CV     1
 ASSI {  600}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.27787E-02 ppm1      8.706 ppm2      2.031 CV     1
 OR {  600}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  602}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      3.300     1.400     1.400 peak   602 spectrum    1 weight  0.10000E+01 volume  0.17810E-02 ppm1      7.184 ppm2      2.849 CV     1
 OR {  602}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  603}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.300     2.300     1.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.58170E-03 ppm1      8.704 ppm2      2.296 CV     1
 ASSI {  604}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.800     2.900     1.200 peak   604 spectrum    1 weight  0.10000E+01 volume  0.35428E-03 ppm1      8.707 ppm2      1.621 CV     1
 ASSI {  606}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG3 ))
      4.400     2.400     1.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.39288E-03 ppm1      7.689 ppm2      2.230 CV     1
 ASSI {  607}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.44100E-02 ppm1      7.686 ppm2      2.032 CV     1
 OR {  607}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  610}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.54790E-02 ppm1      7.683 ppm2      1.604 CV     1
 OR {  610}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HG2 ))
 ASSI {  611}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.100     2.100     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.34152E-03 ppm1      8.832 ppm2      1.607 CV     1
 OR {  611}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HG2 ))
 ASSI {  612}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.200     1.300     1.300 peak   612 spectrum    1 weight  0.10000E+01 volume  0.14943E-02 ppm1      9.796 ppm2      3.320 CV     1
 ASSI {  613}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.900     1.900     1.900 peak   613 spectrum    1 weight  0.10000E+01 volume  0.13118E-02 ppm1      9.797 ppm2      3.104 CV     1
 ASSI {  614}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      3.500     1.500     1.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.65288E-03 ppm1      9.793 ppm2      1.679 CV     1
 ASSI {  618}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.400     0.700     0.700 peak   618 spectrum    1 weight  0.10000E+01 volume  0.76596E-02 ppm1      7.833 ppm2      2.842 CV     1
 OR {  618}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  624}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.700     0.900     0.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.28129E-02 ppm1      8.888 ppm2      1.679 CV     1
 ASSI {  625}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 87   and name HG  ))
      3.900     1.900     1.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.68339E-03 ppm1      8.885 ppm2      1.503 CV     1
 OR {  625}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  626}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.300     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.12687E-02 ppm1      8.888 ppm2      1.164 CV     1
 ASSI {  628}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD2%)
      4.100     2.100     1.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.55566E-03 ppm1      8.890 ppm2      0.317 CV     1
 ASSI {  632}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.500     1.600     1.600 peak   632 spectrum    1 weight  0.10000E+01 volume  0.13395E-02 ppm1      7.831 ppm2      2.990 CV     1
 ASSI {  633}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.300     1.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.29839E-03 ppm1      9.023 ppm2      9.808 CV     1
 ASSI {  636}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
      2.400     0.700     0.700 peak   636 spectrum    1 weight  0.10000E+01 volume  0.77698E-02 ppm1      8.451 ppm2      1.473 CV     1
 ASSI {  637}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.600     1.700     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.10505E-02 ppm1      8.477 ppm2      2.566 CV     1
 ASSI {  639}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      2.300     0.700     0.700 peak   639 spectrum    1 weight  0.10000E+01 volume  0.41761E-02 ppm1      8.474 ppm2      1.993 CV     1
 ASSI {  640}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      3.500     1.500     1.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      8.475 ppm2      1.620 CV     1
 ASSI {  641}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.34702E-02 ppm1      8.474 ppm2      1.395 CV     1
 ASSI {  642}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
      3.900     1.900     1.900 peak   642 spectrum    1 weight  0.10000E+01 volume  0.15577E-02 ppm1      8.474 ppm2      0.893 CV     1
 ASSI {  643}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      3.900     1.900     1.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.15624E-02 ppm1      8.473 ppm2      0.800 CV     1
 ASSI {  644}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      3.100     1.200     1.200 peak   644 spectrum    1 weight  0.10000E+01 volume  0.11554E-02 ppm1      8.760 ppm2      1.655 CV     1
 ASSI {  645}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      4.300     2.300     1.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.43723E-03 ppm1      8.753 ppm2      0.803 CV     1
 ASSI {  648}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.500     2.500     3.500 peak   648 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      8.755 ppm2      1.873 CV     1
 ASSI {  649}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG3 ))
      2.600     0.800     0.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.28324E-02 ppm1      8.754 ppm2      1.552 CV     1
 OR {  649}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI {  650}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.500     1.500     1.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.16119E-02 ppm1      8.755 ppm2      1.388 CV     1
 ASSI {  651}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
      4.000     2.000     2.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.70101E-03 ppm1      8.756 ppm2      0.894 CV     1
 ASSI {  653}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.000     1.100     1.100 peak   653 spectrum    1 weight  0.10000E+01 volume  0.90441E-03 ppm1      7.885 ppm2      2.915 CV     1
 ASSI {  654}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     1.700     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.47120E-03 ppm1      7.886 ppm2      3.908 CV     1
 ASSI {  655}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.800     2.900     1.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.31322E-03 ppm1      7.890 ppm2      3.818 CV     1
 ASSI {  656}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.400     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.10900E-02 ppm1      7.887 ppm2      3.127 CV     1
 ASSI {  657}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      3.200     1.300     1.300 peak   657 spectrum    1 weight  0.10000E+01 volume  0.27118E-02 ppm1      7.886 ppm2      2.181 CV     1
 ASSI {  658}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      3.000     1.100     1.100 peak   658 spectrum    1 weight  0.10000E+01 volume  0.30818E-02 ppm1      7.886 ppm2      1.959 CV     1
 ASSI {  659}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG3 ))
      3.200     1.200     1.200 peak   659 spectrum    1 weight  0.10000E+01 volume  0.12421E-02 ppm1      7.893 ppm2      1.559 CV     1
 OR {  659}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI {  660}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.400     2.500     1.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.43849E-03 ppm1      7.881 ppm2      1.397 CV     1
 ASSI {  664}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.57221E-03 ppm1      7.683 ppm2      3.906 CV     1
 ASSI {  666}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.400     0.700     0.700 peak   666 spectrum    1 weight  0.10000E+01 volume  0.38433E-02 ppm1      7.685 ppm2      2.114 CV     1
 ASSI {  667}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
      3.600     1.600     1.600 peak   667 spectrum    1 weight  0.10000E+01 volume  0.10609E-02 ppm1      7.679 ppm2      1.994 CV     1
 OR {  667}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI {  668}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HG12))
      3.000     1.100     1.100 peak   668 spectrum    1 weight  0.10000E+01 volume  0.31081E-02 ppm1      7.681 ppm2      1.849 CV     1
 ASSI {  670}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      4.200     2.200     1.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.40468E-03 ppm1      7.689 ppm2      1.624 CV     1
 ASSI {  671}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
      3.500     1.500     1.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.36881E-03 ppm1      7.676 ppm2      1.543 CV     1
 OR {  671}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HG3 ))
 ASSI {  672}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.600     2.600     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.41004E-03 ppm1      7.680 ppm2      1.402 CV     1
 ASSI {  673}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
      4.500     2.600     1.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.60059E-03 ppm1      7.681 ppm2      0.919 CV     1
 ASSI {  675}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
      3.400     1.400     1.400 peak   675 spectrum    1 weight  0.10000E+01 volume  0.23930E-02 ppm1      7.680 ppm2      0.570 CV     1
 ASSI {  676}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HG13))
      3.000     1.100     1.100 peak   676 spectrum    1 weight  0.10000E+01 volume  0.15620E-02 ppm1      7.682 ppm2      0.497 CV     1
 ASSI {  677}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   677 spectrum    1 weight  0.10000E+01 volume  0.19163E-02 ppm1      7.835 ppm2      4.098 CV     1
 ASSI {  685}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.45111E-02 ppm1      8.483 ppm2      1.755 CV     1
 ASSI {  686}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG3 ))
      3.100     1.200     1.200 peak   686 spectrum    1 weight  0.10000E+01 volume  0.35077E-02 ppm1      8.482 ppm2      1.571 CV     1
 OR {  686}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  687}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 94   and name HB% )
      3.500     1.500     1.500 peak   687 spectrum    1 weight  0.10000E+01 volume  0.70697E-03 ppm1      8.478 ppm2      1.427 CV     1
 ASSI {  692}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.000     2.000     2.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.16203E-02 ppm1      8.893 ppm2      1.926 CV     1
 ASSI {  693}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.400     0.700     0.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.55607E-02 ppm1      8.896 ppm2      1.754 CV     1
 OR {  693}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  694}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.600     1.600     1.600 peak   694 spectrum    1 weight  0.10000E+01 volume  0.93651E-03 ppm1      8.897 ppm2      1.577 CV     1
 OR {  694}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG3 ))
 ASSI {  695}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      3.000     1.100     1.100 peak   695 spectrum    1 weight  0.10000E+01 volume  0.17003E-02 ppm1      8.901 ppm2      1.150 CV     1
 ASSI {  696}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.300     2.300     1.700 peak   696 spectrum    1 weight  0.10000E+01 volume  0.60496E-03 ppm1      7.801 ppm2      1.921 CV     1
 ASSI {  697}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      3.700     1.700     1.700 peak   697 spectrum    1 weight  0.10000E+01 volume  0.69643E-03 ppm1      7.793 ppm2      1.149 CV     1
 ASSI {  698}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      4.000     2.000     2.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.89640E-03 ppm1      7.801 ppm2      0.829 CV     1
 ASSI {  699}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      3.700     1.700     1.700 peak   699 spectrum    1 weight  0.10000E+01 volume  0.16745E-02 ppm1      7.798 ppm2      3.065 CV     1
 ASSI {  700}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.400     0.700     0.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.37124E-02 ppm1      7.797 ppm2      2.717 CV     1
 ASSI {  701}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.100     1.100 peak   701 spectrum    1 weight  0.10000E+01 volume  0.23786E-02 ppm1      7.795 ppm2      1.757 CV     1
 OR {  701}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  701}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {  703}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      3.700     1.700     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13980E-02 ppm1      7.906 ppm2      3.047 CV     1
 ASSI {  705}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.45242E-02 ppm1      7.905 ppm2      2.808 CV     1
 ASSI {  708}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      4.600     2.600     1.400 peak   708 spectrum    1 weight  0.10000E+01 volume  0.38030E-03 ppm1      7.913 ppm2      0.813 CV     1
 ASSI {  710}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      3.500     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.71805E-03 ppm1      8.450 ppm2      5.134 CV     1
 ASSI {  714}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.200     2.200     1.800 peak   714 spectrum    1 weight  0.10000E+01 volume  0.33616E-03 ppm1      7.805 ppm2      8.738 CV     1
 ASSI {  718}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      4.400     2.400     1.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.55768E-03 ppm1      8.746 ppm2      2.522 CV     1
 ASSI {  719}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.400     2.400     1.600 peak   719 spectrum    1 weight  0.10000E+01 volume  0.61679E-03 ppm1      8.744 ppm2      2.073 CV     1
 ASSI {  721}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.600     1.600     1.600 peak   721 spectrum    1 weight  0.10000E+01 volume  0.43781E-03 ppm1      7.837 ppm2      0.713 CV     1
 OR {  721}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {  723}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      3.200     1.300     1.300 peak   723 spectrum    1 weight  0.10000E+01 volume  0.60383E-03 ppm1      7.830 ppm2      0.875 CV     1
 ASSI {  727}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB3 ))
      2.300     0.700     0.700 peak   727 spectrum    1 weight  0.10000E+01 volume  0.61737E-02 ppm1      7.764 ppm2      3.205 CV     1
 ASSI {  728}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.71059E-02 ppm1      7.764 ppm2      3.025 CV     1
 ASSI {  730}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      4.400     2.400     1.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.47001E-03 ppm1      7.769 ppm2      2.207 CV     1
 ASSI {  731}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.400     1.400     1.400 peak   731 spectrum    1 weight  0.10000E+01 volume  0.83187E-03 ppm1      7.765 ppm2      2.070 CV     1
 ASSI {  732}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 51   and name HB% )
      3.500     1.600     1.600 peak   732 spectrum    1 weight  0.10000E+01 volume  0.31376E-03 ppm1      7.763 ppm2      1.461 CV     1
 ASSI {  733}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.36123E-03 ppm1      8.018 ppm2      3.692 CV     1
 ASSI {  736}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      3.900     1.900     1.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.37751E-03 ppm1      8.030 ppm2      3.762 CV     1
 ASSI {  740}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG3 ))
      3.200     1.200     1.200 peak   740 spectrum    1 weight  0.11000E+01 volume  0.25166E-02 ppm1      8.380 ppm2      2.302 CV     1
 OR {  740}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  741}
   (( segid "    " and resid 7    and name HE21))
   (( segid "    " and resid 7    and name HG2 ))
      3.000     1.200     1.200 peak   741 spectrum    1 weight  0.11000E+01 volume  0.15323E-02 ppm1      7.559 ppm2      2.399 CV     1
 OR {  741}
   (( segid "    " and resid 7    and name HE21))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI {  744}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak   744 spectrum    1 weight  0.11000E+01 volume  0.10909E-02 ppm1      8.294 ppm2      2.713 CV     1
 ASSI {  745}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.700     1.700     1.700 peak   745 spectrum    1 weight  0.11000E+01 volume  0.12055E-02 ppm1      8.293 ppm2      2.835 CV     1
 ASSI {  747}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      4.600     2.600     1.400 peak   747 spectrum    1 weight  0.11000E+01 volume  0.20254E-03 ppm1      8.290 ppm2      8.611 CV     1
 ASSI {  750}
   (( segid "    " and resid 11   and name HD21))
   (( segid "    " and resid 11   and name HB3 ))
      3.300     1.400     1.400 peak   750 spectrum    1 weight  0.11000E+01 volume  0.11720E-02 ppm1      7.498 ppm2      2.836 CV     1
 ASSI {  751}
   (( segid "    " and resid 11   and name HD22))
   (( segid "    " and resid 11   and name HB3 ))
      4.100     2.100     1.900 peak   751 spectrum    1 weight  0.11000E+01 volume  0.97908E-03 ppm1      7.054 ppm2      2.822 CV     1
 ASSI {  753}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.600     1.600     1.600 peak   753 spectrum    1 weight  0.11000E+01 volume  0.17475E-02 ppm1      7.378 ppm2      8.298 CV     1
 ASSI {  755}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   755 spectrum    1 weight  0.11000E+01 volume  0.43565E-02 ppm1      9.226 ppm2      4.724 CV     1
 ASSI {  756}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.300     1.700 peak   756 spectrum    1 weight  0.11000E+01 volume  0.66110E-03 ppm1      9.223 ppm2      7.388 CV     1
 ASSI {  759}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.800     1.800 peak   759 spectrum    1 weight  0.11000E+01 volume  0.12365E-02 ppm1      8.751 ppm2      9.045 CV     1
 ASSI {  760}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      2.800     1.000     1.000 peak   760 spectrum    1 weight  0.11000E+01 volume  0.22596E-02 ppm1      9.051 ppm2      3.159 CV     1
 ASSI {  761}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.900     1.000     1.000 peak   761 spectrum    1 weight  0.11000E+01 volume  0.24907E-02 ppm1      9.054 ppm2      4.991 CV     1
 ASSI {  762}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.600     2.600     1.400 peak   762 spectrum    1 weight  0.11000E+01 volume  0.42767E-03 ppm1      9.050 ppm2      8.108 CV     1
 ASSI {  763}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.800     1.000     1.000 peak   763 spectrum    1 weight  0.11000E+01 volume  0.20102E-02 ppm1      9.053 ppm2      8.616 CV     1
 ASSI {  764}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      2.900     1.000     1.000 peak   764 spectrum    1 weight  0.11000E+01 volume  0.28461E-02 ppm1      8.105 ppm2      3.154 CV     1
 ASSI {  765}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.400     0.700     0.700 peak   765 spectrum    1 weight  0.11000E+01 volume  0.53604E-02 ppm1      8.105 ppm2      5.008 CV     1
 ASSI {  766}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   766 spectrum    1 weight  0.11000E+01 volume  0.27015E-02 ppm1      8.106 ppm2      5.251 CV     1
 ASSI {  767}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   767 spectrum    1 weight  0.11000E+01 volume  0.75255E-03 ppm1      8.107 ppm2      8.812 CV     1
 ASSI {  768}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   768 spectrum    1 weight  0.11000E+01 volume  0.23431E-02 ppm1      8.107 ppm2      8.992 CV     1
 ASSI {  771}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.600     1.600     1.600 peak   771 spectrum    1 weight  0.11000E+01 volume  0.18843E-02 ppm1      8.817 ppm2      0.765 CV     1
 ASSI {  772}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   772 spectrum    1 weight  0.11000E+01 volume  0.13039E-02 ppm1      8.819 ppm2      9.224 CV     1
 ASSI {  776}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.600     1.600 peak   776 spectrum    1 weight  0.11000E+01 volume  0.13652E-02 ppm1      8.822 ppm2      8.672 CV     1
 ASSI {  780}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      1.900     0.400     0.400 peak   780 spectrum    1 weight  0.11000E+01 volume  0.11788E-01 ppm1      7.402 ppm2      9.219 CV     1
 ASSI {  781}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak   781 spectrum    1 weight  0.11000E+01 volume  0.38496E-02 ppm1      7.401 ppm2      8.990 CV     1
 ASSI {  783}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak   783 spectrum    1 weight  0.11000E+01 volume  0.43352E-03 ppm1      9.369 ppm2      8.831 CV     1
 ASSI {  785}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak   785 spectrum    1 weight  0.11000E+01 volume  0.10148E-02 ppm1      8.834 ppm2      7.339 CV     1
 ASSI {  786}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.200     1.300     1.300 peak   786 spectrum    1 weight  0.11000E+01 volume  0.22557E-02 ppm1      8.834 ppm2      5.003 CV     1
 ASSI {  787}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak   787 spectrum    1 weight  0.11000E+01 volume  0.52936E-02 ppm1      7.305 ppm2      7.981 CV     1
 ASSI {  790}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak   790 spectrum    1 weight  0.11000E+01 volume  0.14714E-02 ppm1      7.974 ppm2      4.639 CV     1
 ASSI {  793}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.11000E+01 volume  0.51704E-02 ppm1      7.329 ppm2      7.982 CV     1
 ASSI {  796}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      2.300     0.700     0.700 peak   796 spectrum    1 weight  0.11000E+01 volume  0.88703E-02 ppm1      8.173 ppm2      0.572 CV     1
 ASSI {  798}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak   798 spectrum    1 weight  0.11000E+01 volume  0.15790E-02 ppm1      8.172 ppm2      4.997 CV     1
 ASSI {  805}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.000     1.100     1.100 peak   805 spectrum    1 weight  0.11000E+01 volume  0.15890E-02 ppm1      8.997 ppm2      9.806 CV     1
 ASSI {  809}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      2.600     0.800     0.800 peak   809 spectrum    1 weight  0.11000E+01 volume  0.29617E-02 ppm1      9.022 ppm2      6.578 CV     1
 ASSI {  814}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   814 spectrum    1 weight  0.11000E+01 volume  0.57044E-02 ppm1      8.250 ppm2      9.029 CV     1
 ASSI {  815}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA2 ))
      2.600     0.900     0.900 peak   815 spectrum    1 weight  0.11000E+01 volume  0.63273E-02 ppm1      8.247 ppm2      3.685 CV     1
 ASSI {  816}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA1 ))
      2.500     0.800     0.800 peak   816 spectrum    1 weight  0.11000E+01 volume  0.43770E-02 ppm1      8.247 ppm2      4.199 CV     1
 ASSI {  817}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak   817 spectrum    1 weight  0.11000E+01 volume  0.30766E-02 ppm1      8.248 ppm2      6.808 CV     1
 ASSI {  818}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak   818 spectrum    1 weight  0.11000E+01 volume  0.11724E-02 ppm1      6.807 ppm2      9.026 CV     1
 ASSI {  819}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA2 ))
      3.800     1.800     1.800 peak   819 spectrum    1 weight  0.11000E+01 volume  0.91618E-03 ppm1      6.803 ppm2      3.678 CV     1
 ASSI {  820}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA1 ))
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.11000E+01 volume  0.73995E-03 ppm1      6.798 ppm2      4.205 CV     1
 ASSI {  827}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.100     1.100 peak   827 spectrum    1 weight  0.11000E+01 volume  0.17399E-02 ppm1      7.686 ppm2      8.713 CV     1
 ASSI {  828}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.900     1.900 peak   828 spectrum    1 weight  0.11000E+01 volume  0.37241E-03 ppm1      7.677 ppm2      8.845 CV     1
 ASSI {  831}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      3.400     1.400     1.400 peak   831 spectrum    1 weight  0.11000E+01 volume  0.13796E-02 ppm1      9.798 ppm2      6.566 CV     1
 ASSI {  832}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 31   and name HE% )
      3.000     3.000     3.000 peak   832 spectrum    1 weight  0.11000E+01 volume  0.14180E-02 ppm1      9.798 ppm2      6.384 CV     1
 ASSI {  834}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      2.800     1.000     1.000 peak   834 spectrum    1 weight  0.11000E+01 volume  0.16961E-02 ppm1      9.798 ppm2      3.621 CV     1
 ASSI {  835}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak   835 spectrum    1 weight  0.11000E+01 volume  0.90475E-03 ppm1      9.801 ppm2      9.119 CV     1
 ASSI {  836}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      3.200     1.300     1.300 peak   836 spectrum    1 weight  0.11000E+01 volume  0.19653E-02 ppm1      9.132 ppm2      3.614 CV     1
 ASSI {  837}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      2.600     0.800     0.800 peak   837 spectrum    1 weight  0.11000E+01 volume  0.31534E-02 ppm1      9.134 ppm2      5.135 CV     1
 ASSI {  840}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.900     1.100     1.100 peak   840 spectrum    1 weight  0.11000E+01 volume  0.23942E-02 ppm1      9.133 ppm2      2.800 CV     1
 ASSI {  841}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.800     1.000     1.000 peak   841 spectrum    1 weight  0.11000E+01 volume  0.26371E-02 ppm1      9.134 ppm2      2.971 CV     1
 ASSI {  842}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      4.000     2.000     2.000 peak   842 spectrum    1 weight  0.11000E+01 volume  0.93103E-03 ppm1      9.133 ppm2      1.659 CV     1
 ASSI {  844}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak   844 spectrum    1 weight  0.11000E+01 volume  0.21436E-02 ppm1      8.891 ppm2      8.164 CV     1
 ASSI {  846}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      2.900     1.000     1.000 peak   846 spectrum    1 weight  0.11000E+01 volume  0.36689E-02 ppm1      8.475 ppm2      0.572 CV     1
 ASSI {  847}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.100     0.600     0.600 peak   847 spectrum    1 weight  0.11000E+01 volume  0.69109E-02 ppm1      8.474 ppm2      4.415 CV     1
 ASSI {  848}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak   848 spectrum    1 weight  0.11000E+01 volume  0.18935E-02 ppm1      8.476 ppm2      8.759 CV     1
 ASSI {  849}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.500     1.500 peak   849 spectrum    1 weight  0.11000E+01 volume  0.61941E-03 ppm1      8.755 ppm2      3.915 CV     1
 ASSI {  852}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak   852 spectrum    1 weight  0.11000E+01 volume  0.23522E-02 ppm1      8.758 ppm2      7.892 CV     1
 ASSI {  856}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   856 spectrum    1 weight  0.11000E+01 volume  0.37224E-02 ppm1      7.890 ppm2      7.690 CV     1
 ASSI {  863}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak   863 spectrum    1 weight  0.11000E+01 volume  0.18546E-02 ppm1      8.487 ppm2      8.895 CV     1
 ASSI {  867}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.11000E+01 volume  0.44462E-02 ppm1      8.899 ppm2      7.793 CV     1
 ASSI {  870}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   870 spectrum    1 weight  0.11000E+01 volume  0.12292E-02 ppm1      7.802 ppm2      4.082 CV     1
 ASSI {  874}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   874 spectrum    1 weight  0.11000E+01 volume  0.73482E-03 ppm1      7.904 ppm2      4.086 CV     1
 ASSI {  875}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak   875 spectrum    1 weight  0.11000E+01 volume  0.48788E-03 ppm1      7.902 ppm2      8.895 CV     1
 ASSI {  877}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.200     0.600     0.600 peak   877 spectrum    1 weight  0.11000E+01 volume  0.84884E-02 ppm1      7.907 ppm2      7.803 CV     1
 ASSI {  880}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   880 spectrum    1 weight  0.11000E+01 volume  0.68993E-03 ppm1      8.745 ppm2      8.531 CV     1
 ASSI {  883}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.400     1.400     1.400 peak   883 spectrum    1 weight  0.11000E+01 volume  0.73633E-03 ppm1      8.533 ppm2      2.880 CV     1
 ASSI {  885}
   (( segid "    " and resid 52   and name HD21))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak   885 spectrum    1 weight  0.11000E+01 volume  0.18758E-02 ppm1      7.609 ppm2      2.881 CV     1
 ASSI {  886}
   (( segid "    " and resid 52   and name HD22))
   (( segid "    " and resid 52   and name HB2 ))
      4.100     2.100     1.900 peak   886 spectrum    1 weight  0.11000E+01 volume  0.10037E-02 ppm1      6.905 ppm2      2.890 CV     1
 ASSI {  888}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
      4.200     2.200     1.800 peak   888 spectrum    1 weight  0.11000E+01 volume  0.55885E-03 ppm1      7.763 ppm2      6.967 CV     1
 ASSI {  891}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak   891 spectrum    1 weight  0.11000E+01 volume  0.17322E-02 ppm1      7.766 ppm2      8.533 CV     1
 ASSI {  893}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      3.800     1.800     1.800 peak   893 spectrum    1 weight  0.11000E+01 volume  0.20894E-02 ppm1      7.764 ppm2      7.101 CV     1
 ASSI {  894}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak   894 spectrum    1 weight  0.11000E+01 volume  0.30435E-02 ppm1      7.766 ppm2      8.027 CV     1
 ASSI {  896}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.900     1.100     1.100 peak   896 spectrum    1 weight  0.11000E+01 volume  0.18181E-02 ppm1      7.673 ppm2      4.326 CV     1
 ASSI {  897}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.500     1.500     1.500 peak   897 spectrum    1 weight  0.11000E+01 volume  0.84911E-03 ppm1      7.674 ppm2      4.176 CV     1
 ASSI {  901}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak   901 spectrum    1 weight  0.11000E+01 volume  0.37935E-02 ppm1      8.300 ppm2      2.832 CV     1
 ASSI {  902}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.800     1.000     1.000 peak   902 spectrum    1 weight  0.11000E+01 volume  0.30565E-02 ppm1      8.299 ppm2      2.997 CV     1
 ASSI {  904}
   (( segid "    " and resid 60   and name HD21))
   (( segid "    " and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak   904 spectrum    1 weight  0.11000E+01 volume  0.20551E-02 ppm1      7.718 ppm2      2.826 CV     1
 ASSI {  905}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 60   and name HB2 ))
      3.800     1.900     1.900 peak   905 spectrum    1 weight  0.11000E+01 volume  0.12285E-02 ppm1      6.824 ppm2      2.821 CV     1
 ASSI {  906}
   (( segid "    " and resid 60   and name HD21))
   (( segid "    " and resid 60   and name HB3 ))
      3.500     1.500     1.500 peak   906 spectrum    1 weight  0.11000E+01 volume  0.91522E-03 ppm1      7.717 ppm2      2.999 CV     1
 ASSI {  907}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 60   and name HB3 ))
      4.500     2.500     1.500 peak   907 spectrum    1 weight  0.11000E+01 volume  0.49195E-03 ppm1      6.824 ppm2      3.000 CV     1
 ASSI {  912}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.11000E+01 volume  0.25141E-02 ppm1      8.296 ppm2      9.569 CV     1
 ASSI {  914}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.300     0.700     0.700 peak   914 spectrum    1 weight  0.11000E+01 volume  0.63524E-02 ppm1      8.296 ppm2      7.842 CV     1
 ASSI {  919}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak   919 spectrum    1 weight  0.11000E+01 volume  0.64855E-02 ppm1      7.835 ppm2      7.182 CV     1
 ASSI {  921}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak   921 spectrum    1 weight  0.11000E+01 volume  0.91981E-03 ppm1      7.182 ppm2      8.291 CV     1
 ASSI {  924}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.100     4.100     1.900 peak   924 spectrum    1 weight  0.11000E+01 volume  0.12405E-02 ppm1      7.184 ppm2      7.993 CV     1
 ASSI {  926}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.400     2.400     1.600 peak   926 spectrum    1 weight  0.11000E+01 volume  0.98065E-03 ppm1      7.147 ppm2      7.837 CV     1
 ASSI {  928}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.000     2.000     2.000 peak   928 spectrum    1 weight  0.11000E+01 volume  0.70957E-03 ppm1      7.149 ppm2      8.017 CV     1
 ASSI {  929}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak   929 spectrum    1 weight  0.11000E+01 volume  0.70142E-02 ppm1      8.014 ppm2      5.107 CV     1
 ASSI {  932}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     3.200     2.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.45211E-02 ppm1      9.043 ppm2      8.829 CV     1
 ASSI {  935}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   935 spectrum    1 weight  0.11000E+01 volume  0.95341E-03 ppm1      9.232 ppm2      8.817 CV     1
 ASSI {  936}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      1.900     0.400     0.400 peak   936 spectrum    1 weight  0.11000E+01 volume  0.13378E-01 ppm1      9.229 ppm2      3.631 CV     1
 ASSI {  937}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.500     1.500 peak   937 spectrum    1 weight  0.11000E+01 volume  0.22188E-02 ppm1      9.231 ppm2      9.044 CV     1
 ASSI {  938}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak   938 spectrum    1 weight  0.11000E+01 volume  0.35653E-02 ppm1      9.231 ppm2      7.716 CV     1
 ASSI {  939}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   939 spectrum    1 weight  0.11000E+01 volume  0.17681E-02 ppm1      7.718 ppm2      8.814 CV     1
 ASSI {  941}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.700     1.700 peak   941 spectrum    1 weight  0.11000E+01 volume  0.12547E-02 ppm1      7.713 ppm2      8.670 CV     1
 ASSI {  948}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak   948 spectrum    1 weight  0.11000E+01 volume  0.20297E-02 ppm1      8.673 ppm2      5.231 CV     1
 ASSI {  951}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.400     1.400 peak   951 spectrum    1 weight  0.11000E+01 volume  0.19535E-02 ppm1      7.292 ppm2      9.061 CV     1
 ASSI {  955}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak   955 spectrum    1 weight  0.11000E+01 volume  0.47784E-03 ppm1      9.070 ppm2      8.658 CV     1
 ASSI {  960}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 74   and name HG3 ))
      3.500     1.500     1.500 peak   960 spectrum    1 weight  0.11000E+01 volume  0.78300E-03 ppm1      7.332 ppm2      2.301 CV     1
 ASSI {  962}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 13   and name HD% )
      3.900     1.900     1.900 peak   962 spectrum    1 weight  0.11000E+01 volume  0.35731E-03 ppm1      8.635 ppm2      7.087 CV     1
 ASSI {  966}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.400     2.500     1.600 peak   966 spectrum    1 weight  0.11000E+01 volume  0.41565E-03 ppm1      8.634 ppm2      9.251 CV     1
 ASSI {  970}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak   970 spectrum    1 weight  0.11000E+01 volume  0.66946E-03 ppm1      9.272 ppm2      8.631 CV     1
 ASSI {  972}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.800     1.800     1.800 peak   972 spectrum    1 weight  0.11000E+01 volume  0.75090E-03 ppm1      9.269 ppm2      8.440 CV     1
 ASSI {  976}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.800     1.800     1.800 peak   976 spectrum    1 weight  0.11000E+01 volume  0.15668E-02 ppm1      7.830 ppm2      2.309 CV     1
 ASSI {  977}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.900     1.000     1.000 peak   977 spectrum    1 weight  0.11000E+01 volume  0.24761E-02 ppm1      7.830 ppm2      2.543 CV     1
 ASSI {  978}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak   978 spectrum    1 weight  0.11000E+01 volume  0.40027E-02 ppm1      7.832 ppm2      9.268 CV     1
 ASSI {  980}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.000     1.000 peak   980 spectrum    1 weight  0.11000E+01 volume  0.25035E-02 ppm1      7.831 ppm2      8.636 CV     1
 ASSI {  982}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak   982 spectrum    1 weight  0.11000E+01 volume  0.82762E-03 ppm1      8.634 ppm2      7.836 CV     1
 ASSI {  983}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.200     0.600     0.600 peak   983 spectrum    1 weight  0.11000E+01 volume  0.89291E-02 ppm1      8.695 ppm2      4.237 CV     1
 ASSI {  985}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.000     2.000     2.000 peak   985 spectrum    1 weight  0.11000E+01 volume  0.87389E-03 ppm1      8.200 ppm2      8.705 CV     1
 ASSI {  986}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   986 spectrum    1 weight  0.11000E+01 volume  0.16973E-02 ppm1      8.200 ppm2      4.543 CV     1
 ASSI {  988}
   (( segid "    " and resid 82   and name HD22))
   (( segid "    " and resid 82   and name HB2 ))
      4.100     2.100     1.900 peak   988 spectrum    1 weight  0.11000E+01 volume  0.10913E-02 ppm1      6.875 ppm2      2.863 CV     1
 OR {  988}
   (( segid "    " and resid 82   and name HD22))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI {  990}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA2 ))
      2.600     0.900     0.900 peak   990 spectrum    1 weight  0.11000E+01 volume  0.43690E-02 ppm1      8.427 ppm2      3.946 CV     1
 ASSI {  991}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA1 ))
      2.400     0.700     0.700 peak   991 spectrum    1 weight  0.11000E+01 volume  0.54787E-02 ppm1      8.427 ppm2      4.322 CV     1
 ASSI {  992}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA2 ))
      2.400     0.700     0.700 peak   992 spectrum    1 weight  0.11000E+01 volume  0.62186E-02 ppm1      8.452 ppm2      3.941 CV     1
 ASSI {  993}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA1 ))
      2.700     0.900     0.900 peak   993 spectrum    1 weight  0.11000E+01 volume  0.47465E-02 ppm1      8.451 ppm2      4.315 CV     1
 ASSI {  997}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   997 spectrum    1 weight  0.11000E+01 volume  0.11416E-02 ppm1      8.634 ppm2      4.948 CV     1
 ASSI { 1000}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.100     1.200     1.200 peak  1000 spectrum    1 weight  0.11000E+01 volume  0.10663E-02 ppm1      8.957 ppm2      5.146 CV     1
 ASSI { 1001}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.200     2.200     1.800 peak  1001 spectrum    1 weight  0.11000E+01 volume  0.59126E-03 ppm1      8.953 ppm2      8.440 CV     1
 ASSI { 1002}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.900     0.900 peak  1002 spectrum    1 weight  0.11000E+01 volume  0.30302E-02 ppm1      8.432 ppm2      8.665 CV     1
 ASSI { 1003}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.800     2.900     1.200 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.26901E-03 ppm1      8.437 ppm2      3.933 CV     1
 ASSI { 1005}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.400     0.700     0.700 peak  1005 spectrum    1 weight  0.11000E+01 volume  0.40877E-02 ppm1      8.430 ppm2      5.153 CV     1
 ASSI { 1011}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.700     0.900     0.900 peak  1011 spectrum    1 weight  0.11000E+01 volume  0.32507E-02 ppm1      7.953 ppm2      9.023 CV     1
 ASSI { 1014}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      3.600     1.600     1.600 peak  1014 spectrum    1 weight  0.11000E+01 volume  0.14487E-02 ppm1      7.677 ppm2      9.044 CV     1
 ASSI { 1016}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     3.900     2.100 peak  1016 spectrum    1 weight  0.11000E+01 volume  0.10930E-02 ppm1      8.449 ppm2      8.889 CV     1
 ASSI { 1018}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB3 ))
      3.300     1.300     1.300 peak  1018 spectrum    1 weight  0.11000E+01 volume  0.16934E-02 ppm1      8.445 ppm2      3.910 CV     1
 OR { 1018}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI { 1019}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak  1019 spectrum    1 weight  0.11000E+01 volume  0.55184E-03 ppm1      8.452 ppm2      9.049 CV     1
 ASSI { 1020}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.200     1.300     1.300 peak  1020 spectrum    1 weight  0.11000E+01 volume  0.12630E-02 ppm1      8.445 ppm2      4.465 CV     1
 ASSI { 1021}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.700     0.900     0.900 peak  1021 spectrum    1 weight  0.11000E+01 volume  0.38990E-02 ppm1      8.447 ppm2      1.637 CV     1
 OR { 1021}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
 ASSI { 1022}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 93   and name HD2%)
      4.300     2.300     1.700 peak  1022 spectrum    1 weight  0.11000E+01 volume  0.75467E-03 ppm1      8.447 ppm2      0.858 CV     1
 ASSI { 1024}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA2 ))
      2.700     0.900     0.900 peak  1024 spectrum    1 weight  0.11000E+01 volume  0.39730E-02 ppm1      7.881 ppm2      4.017 CV     1
 OR { 1024}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA1 ))
 ASSI { 1025}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      3.700     1.700     1.700 peak  1025 spectrum    1 weight  0.11000E+01 volume  0.11586E-02 ppm1      7.880 ppm2      8.398 CV     1
 ASSI {    4}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HN  ))
      5.000     3.100     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.25742E-03 ppm1      2.975 ppm2      8.470 CV     1
 OR {    4}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {   10}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 91   and name HD1%)
      3.500     1.600     1.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11773E-02 ppm1      1.937 ppm2      0.716 CV     1
 OR {   10}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 91   and name HD1%)
 ASSI {   14}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HD2 ))
      2.700     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.11989E-02 ppm1      1.876 ppm2      3.236 CV     1
 ASSI {   15}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      3.100     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.18070E-02 ppm1      1.981 ppm2      4.437 CV     1
 ASSI {   16}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
      3.100     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.15023E-02 ppm1      1.898 ppm2      4.440 CV     1
 ASSI {   19}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 91   and name HG12))
      2.400     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.62537E-02 ppm1      0.704 ppm2      1.354 CV     1
 ASSI {   26}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
      4.700     2.800     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.31031E-03 ppm1      0.109 ppm2      8.302 CV     1
 ASSI {   28}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 20   and name HD1%)
      3.900     3.900     2.100 peak    28 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      1.682 ppm2      0.703 CV     1
 OR {   28}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {   31}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      5.500     3.800     0.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.27297E-03 ppm1      0.528 ppm2      7.397 CV     1
 ASSI {   32}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 71   and name HN  ))
      4.300     2.400     1.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.28424E-03 ppm1      0.567 ppm2      8.618 CV     1
 ASSI {   37}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      3.800     1.800     1.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.12656E-02 ppm1      5.275 ppm2      6.576 CV     1
 ASSI {   40}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
      3.700     1.700     1.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.10930E-02 ppm1      5.230 ppm2      2.422 CV     1
 ASSI {   41}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.000     1.100     1.100 peak    41 spectrum    1 weight  0.10000E+01 volume  0.19293E-02 ppm1      5.117 ppm2      1.386 CV     1
 OR {   41}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI {   42}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 37   and name HA2 ))
      4.300     2.300     1.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.47960E-03 ppm1      1.475 ppm2      3.624 CV     1
 ASSI {   43}
   (( segid "    " and resid 37   and name HA2 ))
   (  segid "    " and resid 75   and name HG2%)
      4.800     2.900     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.20779E-03 ppm1      3.618 ppm2      0.867 CV     1
 ASSI {   44}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      4.400     4.400     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.29158E-03 ppm1      0.543 ppm2      3.818 CV     1
 ASSI {   45}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      4.300     2.300     1.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.34415E-03 ppm1      0.542 ppm2      3.940 CV     1
 ASSI {   49}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
      4.200     2.200     1.800 peak    49 spectrum    1 weight  0.10000E+01 volume  0.33853E-03 ppm1      1.663 ppm2      3.933 CV     1
 ASSI {   51}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 80   and name HD3 ))
      3.800     3.800     2.200 peak    51 spectrum    1 weight  0.10000E+01 volume  0.18617E-03 ppm1      1.660 ppm2      3.254 CV     1
 OR {   51}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 80   and name HD2 ))
 ASSI {   61}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 13   and name HD% )
      3.600     1.600     1.600 peak    61 spectrum    1 weight  0.10000E+01 volume  0.25597E-03 ppm1      0.182 ppm2      7.105 CV     1
 ASSI {   62}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 38   and name HZ  ))
      4.700     2.700     1.300 peak    62 spectrum    1 weight  0.10000E+01 volume  0.37934E-03 ppm1      1.861 ppm2      7.206 CV     1
 ASSI {   63}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 38   and name HZ  ))
      3.400     1.400     1.400 peak    63 spectrum    1 weight  0.10000E+01 volume  0.10453E-02 ppm1      0.972 ppm2      7.198 CV     1
 OR {   63}
   (  segid "    " and resid 24   and name HD2%)
   (  segid "    " and resid 38   and name HE% )
 ASSI {   67}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.700     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.31489E-02 ppm1      5.128 ppm2      1.946 CV     1
 OR {   67}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {   69}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 39   and name HG  ))
      4.200     2.200     1.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.52001E-03 ppm1      5.174 ppm2      1.207 CV     1
 ASSI {   70}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HD3 ))
      2.100     0.500     0.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.53706E-02 ppm1      3.396 ppm2      4.168 CV     1
 ASSI {   72}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.300     2.300     1.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.42387E-03 ppm1      3.402 ppm2      4.572 CV     1
 ASSI {   76}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HB2 ))
      3.600     1.600     1.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.86787E-03 ppm1      3.396 ppm2      2.079 CV     1
 ASSI {   77}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HG3 ))
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.26346E-02 ppm1      3.395 ppm2      2.202 CV     1
 OR {   77}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI {   78}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HB3 ))
      4.800     2.900     1.200 peak    78 spectrum    1 weight  0.10000E+01 volume  0.42786E-03 ppm1      3.399 ppm2      2.518 CV     1
 ASSI {   82}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.600     1.700     1.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.56298E-03 ppm1      3.399 ppm2      3.041 CV     1
 ASSI {   83}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HD% )
      2.800     1.000     1.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.24146E-02 ppm1      4.360 ppm2      7.314 CV     1
 ASSI {   85}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 53   and name HB3 ))
      3.600     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.71634E-03 ppm1      3.397 ppm2      3.200 CV     1
 ASSI {   86}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.700     1.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.11263E-02 ppm1      0.375 ppm2      4.682 CV     1
 ASSI {   89}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      3.700     1.800     1.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.84795E-03 ppm1      0.372 ppm2      7.301 CV     1
 ASSI {   93}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.300     1.400     1.400 peak    93 spectrum    1 weight  0.10000E+01 volume  0.14382E-02 ppm1      3.397 ppm2      3.849 CV     1
 ASSI {   96}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 43   and name HG2 ))
      4.800     2.900     1.200 peak    96 spectrum    1 weight  0.10000E+01 volume  0.42144E-03 ppm1      3.811 ppm2      2.935 CV     1
 ASSI {   97}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.21648E-02 ppm1      3.813 ppm2      4.989 CV     1
 ASSI {  101}
   (( segid "    " and resid 32   and name HA1 ))
   (( segid "    " and resid 32   and name HA2 ))
      2.000     0.500     0.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.10056E-01 ppm1      4.210 ppm2      3.694 CV     1
 ASSI {  107}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.000     3.000     3.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.28350E-02 ppm1      5.276 ppm2      5.016 CV     1
 ASSI {  113}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.15407E-02 ppm1      4.378 ppm2      4.649 CV     1
 ASSI {  114}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.17788E-02 ppm1      4.292 ppm2      4.659 CV     1
 ASSI {  116}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 94   and name HB% )
      3.500     1.500     1.500 peak   116 spectrum    1 weight  0.10000E+01 volume  0.14319E-02 ppm1      4.104 ppm2      1.415 CV     1
 ASSI {  117}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.200     3.200     2.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.49754E-03 ppm1      4.378 ppm2      1.828 CV     1
 ASSI {  118}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      4.100     2.100     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.52075E-03 ppm1      4.379 ppm2      0.798 CV     1
 OR {  118}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
 ASSI {  120}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.300     3.300     2.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.44502E-03 ppm1      4.380 ppm2      1.892 CV     1
 ASSI {  121}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 55   and name HB% )
      2.300     0.600     0.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.92795E-02 ppm1      4.184 ppm2      1.291 CV     1
 ASSI {  122}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.77068E-03 ppm1      3.652 ppm2      8.819 CV     1
 ASSI {  124}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      2.700     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.38731E-02 ppm1      5.345 ppm2      3.910 CV     1
 ASSI {  125}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD3 ))
      2.300     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.39117E-02 ppm1      5.340 ppm2      4.116 CV     1
 ASSI {  128}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.67134E-03 ppm1      4.195 ppm2      4.544 CV     1
 ASSI {  149}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HE% )
      4.100     2.100     1.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.76836E-03 ppm1      4.359 ppm2      7.039 CV     1
 ASSI {  151}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 57   and name HA1 ))
      1.600     0.300     0.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.30286E-01 ppm1      4.033 ppm2      3.923 CV     1
 ASSI {  156}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.600     2.600     3.400 peak   156 spectrum    1 weight  0.10000E+01 volume  0.19505E-02 ppm1      4.020 ppm2      4.192 CV     1
 OR {  156}
   (( segid "    " and resid 95   and name HA1 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  160}
   (( segid "    " and resid 95   and name HA1 ))
   (( segid "    " and resid 46   and name HB3 ))
      3.800     1.800     1.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.42599E-03 ppm1      4.013 ppm2      1.673 CV     1
 OR {  160}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI {  163}
   (( segid "    " and resid 88   and name HB  ))
   (( segid "    " and resid 88   and name HA  ))
      3.200     1.300     1.300 peak   163 spectrum    1 weight  0.10000E+01 volume  0.10171E-02 ppm1      4.157 ppm2      4.925 CV     1
 ASSI {  165}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 88   and name HB  ))
      2.700     0.900     0.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.31953E-02 ppm1      1.145 ppm2      4.154 CV     1
 ASSI {  169}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.60521E-03 ppm1      0.970 ppm2      7.835 CV     1
 ASSI {  170}
   (  segid "    " and resid 89   and name HG2%)
   (  segid "    " and resid 48   and name HE% )
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.12014E-02 ppm1      0.973 ppm2      7.023 CV     1
 ASSI {  172}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 16   and name HE2 ))
      3.900     1.900     1.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.51326E-03 ppm1      5.018 ppm2      3.032 CV     1
 OR {  172}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 16   and name HE3 ))
 ASSI {  178}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      3.600     1.700     1.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.42227E-03 ppm1      3.308 ppm2      6.581 CV     1
 ASSI {  180}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      4.600     2.700     1.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.47961E-03 ppm1      2.996 ppm2      7.399 CV     1
 ASSI {  183}
   (( segid "    " and resid 35   and name HD3 ))
   (( segid "    " and resid 35   and name HA  ))
      4.300     2.300     1.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.52344E-03 ppm1      2.990 ppm2      4.543 CV     1
 ASSI {  184}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.40536E-03 ppm1      2.719 ppm2      7.910 CV     1
 ASSI {  186}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 48   and name HE% )
      4.500     2.500     1.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.45680E-03 ppm1      2.715 ppm2      7.026 CV     1
 ASSI {  190}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 48   and name HE% )
      4.500     2.500     1.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.48191E-03 ppm1      3.068 ppm2      7.020 CV     1
 ASSI {  195}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.11974E-02 ppm1      3.074 ppm2      4.359 CV     1
 ASSI {  196}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.16592E-02 ppm1      3.376 ppm2      7.910 CV     1
 ASSI {  198}
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.68143E-03 ppm1      3.079 ppm2      4.545 CV     1
 ASSI {  202}
   (( segid "    " and resid 35   and name HD3 ))
   (( segid "    " and resid 35   and name HD2 ))
      1.500     0.300     0.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.31334E-01 ppm1      2.990 ppm2      3.082 CV     1
 ASSI {  204}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 68   and name HA1 ))
      3.500     1.500     1.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.11000E-02 ppm1      3.012 ppm2      4.457 CV     1
 OR {  204}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 68   and name HA1 ))
 ASSI {  205}
   (( segid "    " and resid 77   and name HE2 ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     3.300     2.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.41197E-03 ppm1      3.048 ppm2      4.566 CV     1
 OR {  205}
   (( segid "    " and resid 77   and name HE3 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  206}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 49   and name HB2 ))
      4.100     2.100     1.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.88326E-03 ppm1      4.168 ppm2      2.821 CV     1
 ASSI {  207}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 64   and name HA  ))
      3.700     3.700     2.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.10869E-02 ppm1      4.169 ppm2      3.855 CV     1
 ASSI {  208}
   (( segid "    " and resid 62   and name HE2 ))
   (  segid "    " and resid 20   and name HG2%)
      3.100     3.100     2.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.71497E-03 ppm1      3.056 ppm2      0.713 CV     1
 OR {  208}
   (( segid "    " and resid 62   and name HE3 ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  209}
   (( segid "    " and resid 14   and name HE2 ))
   (  segid "    " and resid 72   and name HD1%)
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.35409E-02 ppm1      2.972 ppm2      0.875 CV     1
 OR {  209}
   (( segid "    " and resid 14   and name HE3 ))
   (  segid "    " and resid 72   and name HD1%)
 ASSI {  210}
   (( segid "    " and resid 16   and name HE3 ))
   (  segid "    " and resid 18   and name HG2%)
      3.600     3.600     2.400 peak   210 spectrum    1 weight  0.10000E+01 volume  0.82468E-03 ppm1      3.010 ppm2      1.023 CV     1
 OR {  210}
   (( segid "    " and resid 16   and name HE2 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  212}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.800     1.000     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.48583E-02 ppm1      3.010 ppm2      1.354 CV     1
 OR {  212}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  215}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   215 spectrum    1 weight  0.10000E+01 volume  0.22682E-02 ppm1      3.884 ppm2      4.981 CV     1
 ASSI {  216}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.500     1.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.13603E-02 ppm1      3.902 ppm2      4.214 CV     1
 ASSI {  217}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 14   and name HG3 ))
      2.700     0.900     0.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.38637E-02 ppm1      2.979 ppm2      1.398 CV     1
 OR {  217}
   (( segid "    " and resid 14   and name HE2 ))
   (( segid "    " and resid 14   and name HG3 ))
 ASSI {  220}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD2 ))
      2.000     0.500     0.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.17940E-01 ppm1      3.014 ppm2      1.714 CV     1
 OR {  220}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  220}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  220}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD3 ))
 ASSI {  223}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 14   and name HD3 ))
      2.200     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.11150E-01 ppm1      2.978 ppm2      1.730 CV     1
 OR {  223}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 14   and name HD2 ))
 OR {  223}
   (( segid "    " and resid 14   and name HE2 ))
   (( segid "    " and resid 14   and name HD3 ))
 OR {  223}
   (( segid "    " and resid 14   and name HE2 ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI {  224}
   (( segid "    " and resid 22   and name HD3 ))
   (  segid "    " and resid 20   and name HG2%)
      3.200     1.300     1.300 peak   224 spectrum    1 weight  0.10000E+01 volume  0.94650E-03 ppm1      4.108 ppm2      0.716 CV     1
 ASSI {  226}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.10314E-02 ppm1      2.978 ppm2      2.048 CV     1
 OR {  226}
   (( segid "    " and resid 14   and name HE2 ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  229}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 39   and name HB3 ))
      4.500     2.500     1.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.40636E-03 ppm1      3.901 ppm2      1.684 CV     1
 ASSI {  230}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 20   and name HG2%)
      3.700     1.700     1.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.15145E-02 ppm1      3.894 ppm2      0.703 CV     1
 ASSI {  235}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 70   and name HG2 ))
      4.000     2.000     2.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.93268E-03 ppm1      3.011 ppm2      2.425 CV     1
 OR {  235}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 70   and name HG2 ))
 ASSI {  236}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.800     1.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.90489E-03 ppm1      3.866 ppm2      4.560 CV     1
 ASSI {  237}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.43340E-03 ppm1      3.860 ppm2      4.330 CV     1
 ASSI {  239}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HD3 ))
      1.700     0.400     0.500 peak   239 spectrum    1 weight  0.10000E+01 volume  0.16557E-01 ppm1      3.862 ppm2      3.675 CV     1
 ASSI {  246}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.11075E-02 ppm1      3.871 ppm2      1.873 CV     1
 ASSI {  247}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.300     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.48599E-02 ppm1      3.862 ppm2      2.004 CV     1
 OR {  247}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI {  248}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB3 ))
      3.600     1.600     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.17056E-02 ppm1      3.863 ppm2      1.736 CV     1
 ASSI {  249}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HB2 ))
      4.000     2.000     2.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.92925E-03 ppm1      3.675 ppm2      2.213 CV     1
 ASSI {  250}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HG3 ))
      2.300     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.58285E-02 ppm1      3.672 ppm2      2.004 CV     1
 OR {  250}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  251}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.22518E-02 ppm1      3.671 ppm2      1.873 CV     1
 ASSI {  252}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.700     0.900     0.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.26984E-02 ppm1      3.674 ppm2      1.733 CV     1
 ASSI {  254}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.800     2.900     1.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.41037E-03 ppm1      2.006 ppm2      8.297 CV     1
 OR {  254}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  256}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 49   and name HE% )
      3.100     3.100     2.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.94383E-03 ppm1      1.999 ppm2      7.089 CV     1
 OR {  256}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 49   and name HE% )
 ASSI {  261}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 40   and name HG3 ))
      3.400     1.500     1.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.64673E-03 ppm1      3.105 ppm2      2.193 CV     1
 OR {  261}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 40   and name HG2 ))
 OR {  261}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI {  263}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 41   and name HD1%)
      3.000     1.200     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.10885E-02 ppm1      2.008 ppm2      0.800 CV     1
 OR {  263}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI {  264}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 41   and name HD2%)
      3.900     1.900     1.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.11369E-02 ppm1      1.991 ppm2      0.917 CV     1
 OR {  264}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 41   and name HD2%)
 ASSI {  265}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 44   and name HD1%)
      4.600     2.700     1.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.42571E-03 ppm1      1.986 ppm2      0.591 CV     1
 OR {  265}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI {  266}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 53   and name HB3 ))
      1.900     1.900     4.100 peak   266 spectrum    1 weight  0.10000E+01 volume  0.26057E-01 ppm1      2.979 ppm2      3.202 CV     1
 OR {  266}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 53   and name HB3 ))
 ASSI {  267}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.14856E-02 ppm1      2.975 ppm2      3.363 CV     1
 OR {  267}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  272}
   (  segid "    " and resid 44   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
      3.200     1.300     1.300 peak   272 spectrum    1 weight  0.10000E+01 volume  0.12443E-02 ppm1      0.578 ppm2      0.115 CV     1
 ASSI {  279}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      4.300     2.400     1.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.63983E-03 ppm1      0.881 ppm2      3.902 CV     1
 ASSI {  283}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HB  ))
      2.200     0.600     0.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.51819E-02 ppm1      0.872 ppm2      1.710 CV     1
 ASSI {  285}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 65   and name HG  ))
      4.000     2.000     2.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.97812E-03 ppm1      0.875 ppm2      1.421 CV     1
 ASSI {  286}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HG12))
      2.600     0.900     0.900 peak   286 spectrum    1 weight  0.10000E+01 volume  0.20519E-02 ppm1      0.872 ppm2      1.255 CV     1
 ASSI {  287}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HG13))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.86937E-02 ppm1      0.871 ppm2      1.041 CV     1
 ASSI {  288}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 41   and name HD1%)
      3.100     1.200     1.200 peak   288 spectrum    1 weight  0.10000E+01 volume  0.56889E-02 ppm1      0.870 ppm2      0.778 CV     1
 ASSI {  289}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.900     1.000     1.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.22335E-02 ppm1      2.984 ppm2      1.767 CV     1
 OR {  289}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  292}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.400     0.700     0.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.25767E-02 ppm1      3.067 ppm2      1.681 CV     1
 ASSI {  293}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 24   and name HG  ))
      3.300     3.300     2.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.15751E-02 ppm1      3.068 ppm2      1.771 CV     1
 ASSI {  294}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.11355E-02 ppm1      1.466 ppm2      4.651 CV     1
 ASSI {  295}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      4.400     2.500     1.600 peak   295 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      1.465 ppm2      4.561 CV     1
 ASSI {  296}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HB3 ))
      3.200     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      3.071 ppm2      1.883 CV     1
 ASSI {  297}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.400     1.400 peak   297 spectrum    1 weight  0.10000E+01 volume  0.10906E-02 ppm1      1.463 ppm2      4.106 CV     1
 ASSI {  298}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 95   and name HA2 ))
      3.800     1.800     1.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.62234E-03 ppm1      1.465 ppm2      3.994 CV     1
 OR {  298}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 95   and name HA1 ))
 ASSI {  300}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 52   and name HB2 ))
      4.200     2.200     1.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.50670E-03 ppm1      1.454 ppm2      2.898 CV     1
 ASSI {  303}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 47   and name HB3 ))
      3.700     1.700     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.86971E-03 ppm1      1.466 ppm2      1.747 CV     1
 OR {  303}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  304}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
      2.600     0.900     0.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.68445E-02 ppm1      1.467 ppm2      1.567 CV     1
 OR {  304}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 46   and name HG3 ))
 ASSI {  306}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.900     1.900     1.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.14044E-02 ppm1      3.067 ppm2      2.010 CV     1
 ASSI {  308}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 21   and name HG3 ))
      3.700     1.800     1.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.45425E-03 ppm1      3.074 ppm2      2.354 CV     1
 OR {  308}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  309}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.700     2.700     3.300 peak   309 spectrum    1 weight  0.10000E+01 volume  0.16619E-02 ppm1      1.548 ppm2      1.822 CV     1
 ASSI {  310}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HG2%)
      2.400     0.700     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.64850E-02 ppm1      1.547 ppm2      0.798 CV     1
 OR {  310}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HD1%)
 ASSI {  318}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.700     1.700     1.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.52730E-03 ppm1      2.832 ppm2      7.823 CV     1
 ASSI {  323}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.60020E-03 ppm1      2.837 ppm2      9.558 CV     1
 ASSI {  324}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      4.500     2.500     1.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.42811E-03 ppm1      2.972 ppm2      8.909 CV     1
 ASSI {  325}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      4.400     2.500     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.42213E-03 ppm1      2.980 ppm2      9.003 CV     1
 ASSI {  327}
   (  segid "    " and resid 45   and name HB% )
   (  segid "    " and resid 94   and name HB% )
      1.900     0.400     0.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.31196E-01 ppm1      1.143 ppm2      1.417 CV     1
 ASSI {  329}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      4.700     2.800     1.300 peak   329 spectrum    1 weight  0.10000E+01 volume  0.52404E-03 ppm1      2.807 ppm2      8.889 CV     1
 ASSI {  330}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.45771E-03 ppm1      2.806 ppm2      9.001 CV     1
 ASSI {  334}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.600     1.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.51049E-03 ppm1      3.222 ppm2      8.020 CV     1
 OR {  334}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  335}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 67   and name HN  ))
      4.500     2.500     1.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.49452E-03 ppm1      3.220 ppm2      9.037 CV     1
 OR {  335}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  341}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 38   and name HE% )
      3.000     1.100     1.100 peak   341 spectrum    1 weight  0.10000E+01 volume  0.19371E-02 ppm1      1.107 ppm2      7.175 CV     1
 ASSI {  343}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.45434E-02 ppm1      0.573 ppm2      7.305 CV     1
 ASSI {  345}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
      4.100     2.100     1.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.49890E-03 ppm1      0.569 ppm2      7.197 CV     1
 ASSI {  347}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak   347 spectrum    1 weight  0.10000E+01 volume  0.14191E-02 ppm1      0.577 ppm2      8.477 CV     1
 ASSI {  355}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.900     1.900     1.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.45817E-03 ppm1      4.202 ppm2      8.304 CV     1
 ASSI {  364}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      1.800     0.400     0.400 peak   364 spectrum    1 weight  0.10000E+01 volume  0.16493E-01 ppm1      3.004 ppm2      2.839 CV     1
 ASSI {  369}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 49   and name HD% )
      4.900     3.000     1.100 peak   369 spectrum    1 weight  0.10000E+01 volume  0.29700E-03 ppm1      3.842 ppm2      6.942 CV     1
 ASSI {  374}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak   374 spectrum    1 weight  0.10000E+01 volume  0.15501E-02 ppm1      3.005 ppm2      4.970 CV     1
 ASSI {  376}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.23405E-02 ppm1      2.835 ppm2      4.971 CV     1
 ASSI {  377}
   (( segid "    " and resid 8    and name HE3 ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.500     1.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.10956E-02 ppm1      3.056 ppm2      4.351 CV     1
 OR {  377}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  378}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
      3.500     1.600     1.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.96635E-03 ppm1      2.973 ppm2      4.618 CV     1
 ASSI {  380}
   (( segid "    " and resid 83   and name HE3 ))
   (( segid "    " and resid 83   and name HD2 ))
      2.800     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.28422E-02 ppm1      2.949 ppm2      1.642 CV     1
 OR {  380}
   (( segid "    " and resid 83   and name HE2 ))
   (( segid "    " and resid 83   and name HD3 ))
 OR {  380}
   (( segid "    " and resid 83   and name HE2 ))
   (( segid "    " and resid 83   and name HD2 ))
 OR {  380}
   (( segid "    " and resid 83   and name HE3 ))
   (( segid "    " and resid 83   and name HD3 ))
 ASSI {  382}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 55   and name HB% )
      3.700     1.700     1.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.80442E-03 ppm1      4.213 ppm2      1.265 CV     1
 ASSI {  383}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.300     2.300     1.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.37499E-03 ppm1      4.212 ppm2      2.092 CV     1
 ASSI {  384}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.53455E-03 ppm1      4.211 ppm2      4.650 CV     1
 ASSI {  385}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      4.700     2.700     1.300 peak   385 spectrum    1 weight  0.10000E+01 volume  0.46930E-03 ppm1      4.211 ppm2      4.548 CV     1
 ASSI {  390}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.000     0.500     0.500 peak   390 spectrum    1 weight  0.10000E+01 volume  0.74399E-02 ppm1      2.969 ppm2      2.809 CV     1
 ASSI {  391}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 50   and name HG2 ))
      4.200     2.200     1.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.44546E-03 ppm1      3.206 ppm2      2.204 CV     1
 ASSI {  392}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      3.900     1.900     1.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.49062E-03 ppm1      3.206 ppm2      2.074 CV     1
 ASSI {  395}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HB2 ))
      1.900     0.500     0.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.82229E-02 ppm1      3.206 ppm2      3.038 CV     1
 ASSI {  396}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     2.800     3.200 peak   396 spectrum    1 weight  0.10000E+01 volume  0.11749E-02 ppm1      3.202 ppm2      2.901 CV     1
 ASSI {  397}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.73318E-03 ppm1      3.203 ppm2      2.818 CV     1
 ASSI {  400}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 52   and name HB2 ))
      2.400     2.400     3.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.31985E-02 ppm1      3.047 ppm2      2.865 CV     1
 ASSI {  405}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.25603E-02 ppm1      1.869 ppm2      4.649 CV     1
 ASSI {  406}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   406 spectrum    1 weight  0.10000E+01 volume  0.20246E-02 ppm1      1.775 ppm2      4.643 CV     1
 ASSI {  408}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 59   and name HD2 ))
      4.200     2.200     1.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.40086E-03 ppm1      1.796 ppm2      3.863 CV     1
 ASSI {  410}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 59   and name HD3 ))
      4.600     2.600     1.400 peak   410 spectrum    1 weight  0.10000E+01 volume  0.71757E-03 ppm1      1.782 ppm2      3.674 CV     1
 ASSI {  411}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HD2 ))
      3.200     1.300     1.300 peak   411 spectrum    1 weight  0.10000E+01 volume  0.14754E-02 ppm1      1.867 ppm2      3.266 CV     1
 OR {  411}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HD3 ))
 ASSI {  412}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HD2 ))
      3.200     1.300     1.300 peak   412 spectrum    1 weight  0.10000E+01 volume  0.13670E-02 ppm1      1.778 ppm2      3.258 CV     1
 OR {  412}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HD3 ))
 ASSI {  416}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB  ))
      2.500     0.800     0.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.29493E-02 ppm1      3.786 ppm2      1.699 CV     1
 ASSI {  419}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG12))
      3.000     1.200     1.200 peak   419 spectrum    1 weight  0.10000E+01 volume  0.25222E-02 ppm1      3.790 ppm2      1.260 CV     1
 ASSI {  420}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG13))
      2.700     0.900     0.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.13864E-02 ppm1      3.791 ppm2      1.069 CV     1
 ASSI {  422}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
      2.900     1.100     1.100 peak   422 spectrum    1 weight  0.10000E+01 volume  0.18740E-02 ppm1      3.783 ppm2      0.791 CV     1
 ASSI {  423}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      4.000     2.000     2.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.72312E-03 ppm1      3.781 ppm2      0.704 CV     1
 OR {  423}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {  428}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      4.400     2.500     1.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.53261E-03 ppm1      1.710 ppm2      0.709 CV     1
 ASSI {  431}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.88963E-03 ppm1      1.712 ppm2      1.383 CV     1
 ASSI {  432}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HG12))
      3.100     1.200     1.200 peak   432 spectrum    1 weight  0.10000E+01 volume  0.12747E-02 ppm1      1.703 ppm2      1.266 CV     1
 ASSI {  433}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HG13))
      3.000     1.100     1.100 peak   433 spectrum    1 weight  0.10000E+01 volume  0.75611E-03 ppm1      1.701 ppm2      1.082 CV     1
 ASSI {  436}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.300     0.700     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.75303E-02 ppm1      4.177 ppm2      1.833 CV     1
 OR {  436}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  437}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD3 ))
      3.500     1.600     1.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.11747E-02 ppm1      4.178 ppm2      1.715 CV     1
 OR {  437}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
 ASSI {  438}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HG3 ))
      3.700     1.700     1.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.15618E-02 ppm1      4.177 ppm2      1.454 CV     1
 ASSI {  439}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      3.500     1.500     1.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.83508E-03 ppm1      4.176 ppm2      0.861 CV     1
 ASSI {  440}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      2.600     0.800     0.800 peak   440 spectrum    1 weight  0.10000E+01 volume  0.35550E-02 ppm1      4.177 ppm2      0.709 CV     1
 ASSI {  441}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
      4.400     2.500     1.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.57429E-03 ppm1      4.182 ppm2      0.582 CV     1
 ASSI {  444}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.300     2.300     1.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.69882E-03 ppm1      3.847 ppm2      2.208 CV     1
 ASSI {  445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      3.100     1.200     1.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.15316E-02 ppm1      3.844 ppm2      1.631 CV     1
 ASSI {  449}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HG  ))
      3.700     1.700     1.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.58616E-03 ppm1      1.637 ppm2      1.387 CV     1
 OR {  449}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  450}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      2.800     2.800     3.200 peak   450 spectrum    1 weight  0.10000E+01 volume  0.11355E-02 ppm1      1.628 ppm2      0.737 CV     1
 ASSI {  455}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HD3 ))
      2.900     1.100     1.100 peak   455 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      1.694 ppm2      3.225 CV     1
 OR {  455}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI {  458}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
      3.700     1.700     1.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.10796E-02 ppm1      1.816 ppm2      0.875 CV     1
 OR {  458}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI {  459}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 20   and name HG2%)
      3.500     1.500     1.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.14260E-02 ppm1      1.820 ppm2      0.704 CV     1
 OR {  459}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  461}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      2.100     2.100     3.900 peak   461 spectrum    1 weight  0.10000E+01 volume  0.65846E-02 ppm1      4.178 ppm2      4.288 CV     1
 ASSI {  471}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      3.200     1.300     1.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.13405E-02 ppm1      1.827 ppm2      7.839 CV     1
 OR {  471}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  474}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 22   and name HG2 ))
      4.400     2.400     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.62204E-03 ppm1      1.821 ppm2      2.318 CV     1
 OR {  474}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  477}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
      1.800     0.400     0.400 peak   477 spectrum    1 weight  0.10000E+01 volume  0.12230E-01 ppm1      1.886 ppm2      2.075 CV     1
 ASSI {  478}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HG2 ))
      2.400     0.700     0.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.78868E-02 ppm1      1.825 ppm2      1.532 CV     1
 OR {  478}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HG2 ))
 ASSI {  479}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HB3 ))
      1.600     0.300     0.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.29308E-01 ppm1      1.886 ppm2      1.813 CV     1
 ASSI {  480}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HG2 ))
      2.100     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.11834E-01 ppm1      1.803 ppm2      1.699 CV     1
 ASSI {  481}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
      1.700     0.400     0.500 peak   481 spectrum    1 weight  0.10000E+01 volume  0.16325E-01 ppm1      1.693 ppm2      1.833 CV     1
 ASSI {  483}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
      4.400     2.400     1.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.70916E-03 ppm1      1.376 ppm2      1.595 CV     1
 OR {  483}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  485}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HB3 ))
      2.100     0.500     0.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.39719E-02 ppm1      1.373 ppm2      1.188 CV     1
 ASSI {  486}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD2%)
      3.500     1.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.16239E-02 ppm1      1.373 ppm2      0.639 CV     1
 ASSI {  487}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      2.800     1.000     1.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.23042E-02 ppm1      1.375 ppm2      0.559 CV     1
 ASSI {  488}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 66   and name HB3 ))
      4.300     2.300     1.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.39966E-03 ppm1      1.170 ppm2      1.680 CV     1
 ASSI {  489}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 66   and name HG2 ))
      4.200     2.200     1.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.70772E-03 ppm1      1.183 ppm2      1.593 CV     1
 OR {  489}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  502}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 64   and name HG2%)
      3.800     1.800     1.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.62535E-03 ppm1      2.849 ppm2      0.370 CV     1
 OR {  502}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  503}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 64   and name HG1%)
      4.300     2.400     1.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.52289E-03 ppm1      2.848 ppm2      0.115 CV     1
 OR {  503}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  504}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 16   and name HD2 ))
      3.900     1.900     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.13000E-02 ppm1      3.597 ppm2      1.693 CV     1
 OR {  504}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 16   and name HD3 ))
 ASSI {  505}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 16   and name HG2 ))
      4.300     2.300     1.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.60952E-03 ppm1      3.595 ppm2      1.358 CV     1
 ASSI {  506}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 16   and name HE3 ))
      4.800     2.900     1.200 peak   506 spectrum    1 weight  0.10000E+01 volume  0.54611E-03 ppm1      3.596 ppm2      3.018 CV     1
 OR {  506}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 16   and name HE2 ))
 ASSI {  509}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 68   and name HA1 ))
      1.800     0.400     0.400 peak   509 spectrum    1 weight  0.10000E+01 volume  0.14094E-01 ppm1      3.594 ppm2      4.449 CV     1
 ASSI {  518}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.900     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.14980E-02 ppm1      4.449 ppm2      1.692 CV     1
 OR {  518}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  518}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  519}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      4.300     2.300     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.44941E-03 ppm1      3.654 ppm2      4.556 CV     1
 ASSI {  520}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HA1 ))
      4.300     2.400     1.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.82927E-03 ppm1      3.646 ppm2      4.438 CV     1
 ASSI {  521}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak   521 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      3.650 ppm2      4.303 CV     1
 ASSI {  522}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 17   and name HB  ))
      2.700     0.900     0.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.18144E-02 ppm1      3.660 ppm2      2.378 CV     1
 ASSI {  525}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.400     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.46870E-02 ppm1      3.649 ppm2      1.983 CV     1
 OR {  525}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  527}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.83953E-03 ppm1      1.937 ppm2      4.948 CV     1
 ASSI {  528}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      4.800     2.800     1.200 peak   528 spectrum    1 weight  0.10000E+01 volume  0.63047E-03 ppm1      1.974 ppm2      4.560 CV     1
 OR {  528}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  529}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.25115E-02 ppm1      1.694 ppm2      4.575 CV     1
 ASSI {  530}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HD3 ))
      3.600     1.600     1.600 peak   530 spectrum    1 weight  0.10000E+01 volume  0.17290E-02 ppm1      1.826 ppm2      3.222 CV     1
 OR {  530}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI {  531}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   531 spectrum    1 weight  0.10000E+01 volume  0.31438E-02 ppm1      1.834 ppm2      4.572 CV     1
 ASSI {  533}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 17   and name HD1%)
      4.700     2.800     1.300 peak   533 spectrum    1 weight  0.10000E+01 volume  0.44293E-03 ppm1      3.644 ppm2      0.557 CV     1
 ASSI {  537}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HB3 ))
      1.800     0.400     0.400 peak   537 spectrum    1 weight  0.10000E+01 volume  0.93459E-02 ppm1      2.297 ppm2      2.078 CV     1
 ASSI {  538}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
      4.200     2.200     1.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.53120E-03 ppm1      2.282 ppm2      1.834 CV     1
 ASSI {  539}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 17   and name HB  ))
      3.100     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.27681E-02 ppm1      2.288 ppm2      2.368 CV     1
 ASSI {  541}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
      3.300     1.300     1.300 peak   541 spectrum    1 weight  0.10000E+01 volume  0.62728E-03 ppm1      2.286 ppm2      1.573 CV     1
 OR {  541}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  543}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.900     0.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.44230E-02 ppm1      2.009 ppm2      4.274 CV     1
 ASSI {  544}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG2 ))
      2.700     0.900     0.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.35958E-02 ppm1      4.241 ppm2      2.345 CV     1
 OR {  544}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG3 ))
 ASSI {  545}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.500     0.800     0.800 peak   545 spectrum    1 weight  0.10000E+01 volume  0.36580E-02 ppm1      4.228 ppm2      2.311 CV     1
 ASSI {  546}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.900     1.000     1.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.22887E-02 ppm1      4.248 ppm2      0.852 CV     1
 ASSI {  547}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
      2.700     0.900     0.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.33458E-02 ppm1      4.220 ppm2      2.482 CV     1
 OR {  547}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI {  548}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.900     1.000     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.40721E-02 ppm1      4.243 ppm2      2.145 CV     1
 ASSI {  549}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
      4.300     2.300     1.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.54501E-03 ppm1      4.230 ppm2      1.573 CV     1
 OR {  549}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  551}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   551 spectrum    1 weight  0.10000E+01 volume  0.28766E-02 ppm1      4.243 ppm2      4.103 CV     1
 ASSI {  554}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      4.000     2.000     2.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.86629E-03 ppm1      5.228 ppm2      1.687 CV     1
 OR {  554}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  554}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  555}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.500     1.500     1.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.71196E-03 ppm1      5.226 ppm2      1.364 CV     1
 ASSI {  557}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      3.900     1.900     1.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.76117E-03 ppm1      5.233 ppm2      0.390 CV     1
 ASSI {  560}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      4.600     2.600     1.400 peak   560 spectrum    1 weight  0.10000E+01 volume  0.34823E-03 ppm1      5.216 ppm2      4.225 CV     1
 ASSI {  561}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HG2 ))
      2.700     0.900     0.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.25252E-02 ppm1      2.089 ppm2      2.432 CV     1
 ASSI {  562}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HG2 ))
      3.000     1.200     1.200 peak   562 spectrum    1 weight  0.10000E+01 volume  0.28453E-02 ppm1      2.049 ppm2      2.426 CV     1
 ASSI {  564}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 71   and name HB  ))
      4.300     2.300     1.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.63393E-03 ppm1      2.053 ppm2      1.418 CV     1
 ASSI {  567}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      5.300     3.500     0.700 peak   567 spectrum    1 weight  0.10000E+01 volume  0.52628E-03 ppm1      2.036 ppm2      4.239 CV     1
 ASSI {  568}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
      4.800     2.800     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.46933E-03 ppm1      2.111 ppm2      4.224 CV     1
 ASSI {  569}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
      4.800     2.900     1.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.52511E-03 ppm1      2.076 ppm2      4.222 CV     1
 OR {  569}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  571}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17819E-02 ppm1      1.429 ppm2      4.672 CV     1
 ASSI {  573}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.96026E-03 ppm1      1.908 ppm2      4.911 CV     1
 ASSI {  574}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.15439E-02 ppm1      1.947 ppm2      5.325 CV     1
 ASSI {  575}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 87   and name HA  ))
      4.300     2.300     1.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.39036E-03 ppm1      1.951 ppm2      5.171 CV     1
 ASSI {  576}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 88   and name HB  ))
      4.000     2.000     2.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.85822E-03 ppm1      5.329 ppm2      4.157 CV     1
 ASSI {  580}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 89   and name HG2%)
      3.700     1.700     1.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.99010E-03 ppm1      5.326 ppm2      0.972 CV     1
 ASSI {  582}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG1%)
      2.500     0.800     0.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.39987E-02 ppm1      5.329 ppm2      0.560 CV     1
 ASSI {  584}
   (( segid "    " and resid 91   and name HB  ))
   (  segid "    " and resid 91   and name HG2%)
      2.400     0.700     0.700 peak   584 spectrum    1 weight  0.10000E+01 volume  0.64272E-02 ppm1      1.925 ppm2      0.850 CV     1
 ASSI {  585}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 72   and name HG13))
      2.900     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.18927E-02 ppm1      1.910 ppm2      1.640 CV     1
 ASSI {  586}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 72   and name HG12))
      2.900     1.000     1.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.15106E-02 ppm1      1.910 ppm2      1.278 CV     1
 ASSI {  588}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.400     1.400     1.400 peak   588 spectrum    1 weight  0.10000E+01 volume  0.80579E-03 ppm1      1.947 ppm2      1.526 CV     1
 ASSI {  591}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG1%)
      2.400     0.700     0.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.51891E-02 ppm1      1.949 ppm2      0.573 CV     1
 OR {  591}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  593}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 73   and name HB  ))
      4.300     2.300     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.66477E-03 ppm1      1.424 ppm2      1.956 CV     1
 ASSI {  594}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 70   and name HG3 ))
      3.500     3.500     2.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.13094E-02 ppm1      1.429 ppm2      2.143 CV     1
 ASSI {  597}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 91   and name HD1%)
      3.800     1.800     1.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.56146E-03 ppm1      1.443 ppm2      0.708 CV     1
 ASSI {  599}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 71   and name HG1%)
      2.600     0.800     0.800 peak   599 spectrum    1 weight  0.10000E+01 volume  0.35813E-02 ppm1      1.430 ppm2      0.346 CV     1
 ASSI {  603}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.700     0.900     0.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.93897E-03 ppm1      1.878 ppm2      2.935 CV     1
 ASSI {  605}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HG3 ))
      2.800     0.900     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.30261E-02 ppm1      1.950 ppm2      2.316 CV     1
 OR {  605}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI {  606}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.600     0.800     0.800 peak   606 spectrum    1 weight  0.10000E+01 volume  0.39346E-02 ppm1      1.944 ppm2      2.194 CV     1
 OR {  606}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  608}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HB3 ))
      1.600     0.300     0.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.29743E-01 ppm1      1.976 ppm2      1.912 CV     1
 ASSI {  609}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.800     1.000     1.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.46566E-02 ppm1      2.000 ppm2      1.675 CV     1
 ASSI {  610}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 88   and name HG2%)
      4.200     2.200     1.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.91420E-03 ppm1      1.943 ppm2      1.152 CV     1
 OR {  610}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 88   and name HG2%)
 ASSI {  612}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      1.878 ppm2      4.755 CV     1
 ASSI {  615}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      4.100     2.100     1.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.67580E-03 ppm1      1.885 ppm2      9.369 CV     1
 ASSI {  618}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.600     1.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      2.001 ppm2      7.397 CV     1
 OR {  618}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HE  ))
 ASSI {  619}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   619 spectrum    1 weight  0.10000E+01 volume  0.93398E-03 ppm1      1.883 ppm2      7.398 CV     1
 OR {  619}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HE  ))
 ASSI {  620}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 28   and name HD% )
      4.800     2.800     1.200 peak   620 spectrum    1 weight  0.10000E+01 volume  0.57629E-03 ppm1      1.997 ppm2      7.125 CV     1
 ASSI {  626}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG12))
      3.300     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.11552E-02 ppm1      3.948 ppm2      0.970 CV     1
 ASSI {  628}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      2.805 ppm2      4.619 CV     1
 ASSI {  630}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.62477E-03 ppm1      1.950 ppm2      3.943 CV     1
 ASSI {  631}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HG13))
      3.000     1.100     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.17416E-02 ppm1      1.940 ppm2      1.527 CV     1
 ASSI {  633}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HG12))
      2.900     1.000     1.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.15939E-02 ppm1      1.947 ppm2      0.981 CV     1
 ASSI {  634}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.25350E-02 ppm1      2.307 ppm2      4.821 CV     1
 ASSI {  636}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HB3 ))
      2.000     0.500     0.500 peak   636 spectrum    1 weight  0.10000E+01 volume  0.81414E-02 ppm1      2.307 ppm2      2.552 CV     1
 ASSI {  639}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 88   and name HG2%)
      3.300     1.400     1.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.98599E-03 ppm1      2.307 ppm2      1.155 CV     1
 ASSI {  641}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   641 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      2.549 ppm2      4.819 CV     1
 ASSI {  645}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 74   and name HG2 ))
      4.500     2.500     1.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.46526E-03 ppm1      2.542 ppm2      2.188 CV     1
 ASSI {  651}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.20511E-02 ppm1      1.910 ppm2      4.547 CV     1
 ASSI {  652}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.300     1.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14826E-02 ppm1      1.829 ppm2      4.530 CV     1
 ASSI {  656}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 78   and name HB3 ))
      3.700     1.700     1.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.16192E-02 ppm1      1.922 ppm2      2.030 CV     1
 ASSI {  658}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HB2 ))
      1.700     0.300     0.500 peak   658 spectrum    1 weight  0.10000E+01 volume  0.18328E-01 ppm1      1.919 ppm2      1.848 CV     1
 ASSI {  660}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HG3 ))
      2.500     0.800     0.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.42248E-02 ppm1      1.920 ppm2      1.485 CV     1
 OR {  660}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  661}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HG2 ))
      2.700     0.900     0.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.35747E-02 ppm1      1.835 ppm2      1.483 CV     1
 OR {  661}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI {  662}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.400     1.400 peak   662 spectrum    1 weight  0.10000E+01 volume  0.93528E-03 ppm1      1.929 ppm2      8.635 CV     1
 ASSI {  664}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
      3.800     1.800     1.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.10009E-02 ppm1      1.917 ppm2      7.833 CV     1
 ASSI {  665}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.200     1.300     1.300 peak   665 spectrum    1 weight  0.10000E+01 volume  0.78752E-03 ppm1      1.835 ppm2      7.835 CV     1
 ASSI {  669}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
      4.500     2.500     1.500 peak   669 spectrum    1 weight  0.10000E+01 volume  0.42826E-03 ppm1      4.106 ppm2      1.799 CV     1
 ASSI {  671}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HA  ))
      4.100     2.100     1.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.94719E-03 ppm1      4.111 ppm2      4.563 CV     1
 ASSI {  673}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     2.900     3.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.28305E-02 ppm1      4.114 ppm2      4.276 CV     1
 ASSI {  674}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 81   and name HA1 ))
      4.100     2.100     1.900 peak   674 spectrum    1 weight  0.10000E+01 volume  0.96286E-03 ppm1      4.109 ppm2      4.004 CV     1
 ASSI {  675}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 84   and name HA2 ))
      3.700     3.700     2.300 peak   675 spectrum    1 weight  0.10000E+01 volume  0.65324E-03 ppm1      4.102 ppm2      3.923 CV     1
 ASSI {  676}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      2.900     1.000     1.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.24825E-02 ppm1      4.111 ppm2      2.343 CV     1
 OR {  676}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI {  677}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      4.113 ppm2      2.040 CV     1
 ASSI {  678}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 85   and name HB% )
      3.900     1.900     1.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.79210E-03 ppm1      2.075 ppm2      1.476 CV     1
 ASSI {  679}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.14846E-02 ppm1      2.066 ppm2      4.107 CV     1
 ASSI {  681}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.400     1.400 peak   681 spectrum    1 weight  0.10000E+01 volume  0.18001E-02 ppm1      2.064 ppm2      8.671 CV     1
 ASSI {  687}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.18216E-02 ppm1      1.895 ppm2      4.541 CV     1
 ASSI {  688}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.200     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      1.789 ppm2      4.543 CV     1
 ASSI {  689}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HD2 ))
      3.400     1.400     1.400 peak   689 spectrum    1 weight  0.10000E+01 volume  0.12864E-02 ppm1      1.883 ppm2      3.250 CV     1
 OR {  689}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HD3 ))
 ASSI {  690}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HD2 ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.13045E-02 ppm1      1.797 ppm2      3.235 CV     1
 OR {  690}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HD3 ))
 ASSI {  691}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG2 ))
      2.300     0.600     0.600 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13223E-01 ppm1      1.893 ppm2      1.683 CV     1
 ASSI {  693}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 81   and name HA1 ))
      1.800     0.400     0.400 peak   693 spectrum    1 weight  0.10000E+01 volume  0.14788E-01 ppm1      3.862 ppm2      3.985 CV     1
 ASSI {  699}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.40249E-02 ppm1      2.864 ppm2      4.698 CV     1
 OR {  699}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  701}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 85   and name HA  ))
      3.700     1.800     1.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.80819E-03 ppm1      4.303 ppm2      4.257 CV     1
 ASSI {  702}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     3.300     2.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.11175E-02 ppm1      4.331 ppm2      4.087 CV     1
 ASSI {  703}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 84   and name HA2 ))
      1.900     0.500     0.500 peak   703 spectrum    1 weight  0.10000E+01 volume  0.96991E-02 ppm1      4.333 ppm2      3.955 CV     1
 ASSI {  705}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 33   and name HA  ))
      2.800     2.800     3.200 peak   705 spectrum    1 weight  0.10000E+01 volume  0.12349E-02 ppm1      1.464 ppm2      4.470 CV     1
 ASSI {  706}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak   706 spectrum    1 weight  0.10000E+01 volume  0.75412E-02 ppm1      1.471 ppm2      4.265 CV     1
 ASSI {  707}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 79   and name HA  ))
      3.100     3.100     2.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.63454E-03 ppm1      1.471 ppm2      4.115 CV     1
 ASSI {  710}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.56802E-02 ppm1      1.661 ppm2      4.955 CV     1
 ASSI {  712}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 84   and name HA1 ))
      2.800     2.800     3.200 peak   712 spectrum    1 weight  0.10000E+01 volume  0.10932E-02 ppm1      1.665 ppm2      4.344 CV     1
 ASSI {  713}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      3.700     1.800     1.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.13230E-02 ppm1      1.660 ppm2      4.266 CV     1
 ASSI {  715}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 38   and name HB2 ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.42545E-03 ppm1      1.665 ppm2      2.804 CV     1
 ASSI {  716}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 76   and name HB3 ))
      3.100     1.200     1.200 peak   716 spectrum    1 weight  0.10000E+01 volume  0.17489E-02 ppm1      1.661 ppm2      2.551 CV     1
 ASSI {  717}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 76   and name HB2 ))
      3.700     1.700     1.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.12111E-02 ppm1      1.662 ppm2      2.322 CV     1
 ASSI {  718}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 77   and name HB3 ))
      3.200     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.34499E-02 ppm1      1.663 ppm2      1.905 CV     1
 ASSI {  719}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 77   and name HB2 ))
      2.400     0.700     0.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.54063E-02 ppm1      1.663 ppm2      1.828 CV     1
 ASSI {  721}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 39   and name HG  ))
      4.000     2.000     2.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.48501E-03 ppm1      1.662 ppm2      1.208 CV     1
 ASSI {  725}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 75   and name HG12))
      3.400     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.19439E-02 ppm1      1.470 ppm2      0.983 CV     1
 ASSI {  726}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 75   and name HG2%)
      2.600     0.800     0.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.52680E-02 ppm1      1.472 ppm2      0.839 CV     1
 ASSI {  744}
   (  segid "    " and resid 86   and name HB% )
   (  segid "    " and resid 38   and name HD% )
      3.000     3.000     3.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.81346E-03 ppm1      1.662 ppm2      6.862 CV     1
 ASSI {  751}
   (( segid "    " and resid 84   and name HA2 ))
   (( segid "    " and resid 79   and name HG2 ))
      3.700     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.79785E-03 ppm1      3.944 ppm2      2.349 CV     1
 OR {  751}
   (( segid "    " and resid 84   and name HA2 ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI {  752}
   (( segid "    " and resid 84   and name HA2 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   752 spectrum    1 weight  0.10000E+01 volume  0.71840E-03 ppm1      3.924 ppm2      1.607 CV     1
 ASSI {  753}
   (( segid "    " and resid 84   and name HA2 ))
   (  segid "    " and resid 85   and name HB% )
      4.400     2.400     1.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.54484E-03 ppm1      3.943 ppm2      1.476 CV     1
 ASSI {  754}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 79   and name HG2 ))
      3.700     1.700     1.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.58608E-03 ppm1      4.342 ppm2      2.347 CV     1
 OR {  754}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI {  755}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 35   and name HG2 ))
      3.200     3.200     2.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.56812E-03 ppm1      4.343 ppm2      1.586 CV     1
 ASSI {  756}
   (( segid "    " and resid 84   and name HA1 ))
   (  segid "    " and resid 85   and name HB% )
      4.300     2.300     1.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.51202E-03 ppm1      4.332 ppm2      1.470 CV     1
 ASSI {  761}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HA  ))
      3.400     1.400     1.400 peak   761 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      3.067 ppm2      4.696 CV     1
 OR {  761}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  764}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.100     2.100     1.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.88381E-03 ppm1      4.087 ppm2      3.911 CV     1
 OR {  764}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
 ASSI {  765}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB  ))
      3.000     1.200     1.200 peak   765 spectrum    1 weight  0.10000E+01 volume  0.19141E-02 ppm1      4.093 ppm2      1.922 CV     1
 ASSI {  767}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG12))
      4.500     2.500     1.500 peak   767 spectrum    1 weight  0.10000E+01 volume  0.30588E-03 ppm1      4.099 ppm2      1.332 CV     1
 ASSI {  768}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      2.600     0.900     0.900 peak   768 spectrum    1 weight  0.10000E+01 volume  0.38336E-02 ppm1      4.091 ppm2      0.855 CV     1
 ASSI {  772}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 91   and name HG12))
      3.000     1.100     1.100 peak   772 spectrum    1 weight  0.10000E+01 volume  0.16290E-02 ppm1      1.913 ppm2      1.352 CV     1
 ASSI {  778}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
      2.400     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.16377E-02 ppm1      1.504 ppm2      1.108 CV     1
 ASSI {  780}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 87   and name HD2%)
      3.800     1.800     1.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.72811E-03 ppm1      1.504 ppm2      0.194 CV     1
 ASSI {  781}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 73   and name HB  ))
      3.200     1.300     1.300 peak   781 spectrum    1 weight  0.10000E+01 volume  0.52239E-03 ppm1      1.102 ppm2      1.948 CV     1
 ASSI {  786}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.54861E-03 ppm1      1.506 ppm2      5.163 CV     1
 ASSI {  796}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
      2.600     0.800     0.800 peak   796 spectrum    1 weight  0.10000E+01 volume  0.56173E-02 ppm1      3.906 ppm2      4.331 CV     1
 OR {  796}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI {  797}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      4.200     2.200     1.800 peak   797 spectrum    1 weight  0.10000E+01 volume  0.48925E-03 ppm1      2.034 ppm2      4.532 CV     1
 OR {  797}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  801}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.100     0.600     0.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.16446E-01 ppm1      2.031 ppm2      2.398 CV     1
 OR {  801}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  802}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
      1.400     0.200     0.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.67760E-01 ppm1      2.031 ppm2      2.141 CV     1
 ASSI {  803}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      3.100     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.15958E-02 ppm1      2.033 ppm2      1.585 CV     1
 OR {  803}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HG2 ))
 ASSI {  808}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.100     0.500     0.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.16487E-01 ppm1      2.143 ppm2      2.399 CV     1
 OR {  808}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI {  810}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      2.700     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.39182E-02 ppm1      4.359 ppm2      2.406 CV     1
 OR {  810}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  811}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.500     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.59599E-02 ppm1      4.359 ppm2      2.148 CV     1
 ASSI {  812}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.700     0.900     0.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.36989E-02 ppm1      4.359 ppm2      2.032 CV     1
 ASSI {  813}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      2.400     0.700     0.700 peak   813 spectrum    1 weight  0.10000E+01 volume  0.61400E-02 ppm1      4.365 ppm2      0.929 CV     1
 ASSI {  815}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   815 spectrum    1 weight  0.10000E+01 volume  0.63729E-02 ppm1      4.365 ppm2      1.662 CV     1
 OR {  815}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB3 ))
 ASSI {  821}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      3.000     3.000     3.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.76576E-03 ppm1      4.306 ppm2      0.810 CV     1
 ASSI {  822}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak   822 spectrum    1 weight  0.10000E+01 volume  0.65862E-02 ppm1      4.292 ppm2      2.071 CV     1
 ASSI {  823}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.14499E-02 ppm1      4.301 ppm2      1.682 CV     1
 OR {  823}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB3 ))
 ASSI {  827}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     3.400     2.600 peak   827 spectrum    1 weight  0.10000E+01 volume  0.11477E-02 ppm1      4.299 ppm2      4.642 CV     1
 ASSI {  830}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     2.200     3.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.57239E-02 ppm1      4.306 ppm2      4.184 CV     1
 ASSI {  837}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG3 ))
      2.900     1.000     1.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.28900E-02 ppm1      4.433 ppm2      1.494 CV     1
 OR {  837}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG2 ))
 ASSI {  839}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HE3 ))
      4.100     2.100     1.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.67239E-03 ppm1      1.882 ppm2      3.054 CV     1
 OR {  839}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HE2 ))
 ASSI {  840}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HE3 ))
      4.000     2.000     2.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.69937E-03 ppm1      1.806 ppm2      3.054 CV     1
 OR {  840}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HE2 ))
 ASSI {  842}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.60599E-02 ppm1      1.877 ppm2      4.342 CV     1
 ASSI {  843}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.57880E-02 ppm1      1.809 ppm2      4.335 CV     1
 ASSI {  844}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   844 spectrum    1 weight  0.10000E+01 volume  0.10021E-02 ppm1      1.998 ppm2      8.750 CV     1
 ASSI {  845}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.800     1.900     1.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.66167E-03 ppm1      1.988 ppm2      8.478 CV     1
 ASSI {  846}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   846 spectrum    1 weight  0.10000E+01 volume  0.20744E-02 ppm1      1.884 ppm2      8.329 CV     1
 ASSI {  854}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.13857E-02 ppm1      4.224 ppm2      8.801 CV     1
 ASSI {  855}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.700     1.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.14693E-02 ppm1      1.410 ppm2      4.655 CV     1
 ASSI {  866}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 12   and name HG2%)
      4.400     2.400     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.45109E-03 ppm1      2.713 ppm2      0.804 CV     1
 OR {  866}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 12   and name HD1%)
 ASSI {  872}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
      1.800     0.400     0.400 peak   872 spectrum    1 weight  0.10000E+01 volume  0.16794E-01 ppm1      2.710 ppm2      2.838 CV     1
 ASSI {  874}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.33117E-02 ppm1      2.823 ppm2      4.649 CV     1
 ASSI {  875}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.200     1.200 peak   875 spectrum    1 weight  0.10000E+01 volume  0.22265E-02 ppm1      2.702 ppm2      4.638 CV     1
 ASSI {  876}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      5.200     3.400     0.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.36736E-03 ppm1      2.844 ppm2      4.359 CV     1
 ASSI {  880}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD21))
      3.300     1.300     1.300 peak   880 spectrum    1 weight  0.10000E+01 volume  0.81599E-03 ppm1      2.707 ppm2      7.499 CV     1
 ASSI {  883}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD22))
      4.500     2.500     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.53235E-03 ppm1      2.703 ppm2      7.053 CV     1
 ASSI {  884}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 13   and name HE% )
      3.600     1.700     1.700 peak   884 spectrum    1 weight  0.10000E+01 volume  0.62727E-03 ppm1      2.704 ppm2      6.885 CV     1
 ASSI {  887}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 48   and name HA  ))
      4.000     2.000     2.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.50911E-03 ppm1      3.237 ppm2      4.382 CV     1
 OR {  887}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  892}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.46585E-03 ppm1      2.436 ppm2      2.185 CV     1
 ASSI {  893}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
      3.900     1.900     1.900 peak   893 spectrum    1 weight  0.10000E+01 volume  0.77103E-03 ppm1      2.435 ppm2      3.121 CV     1
 ASSI {  896}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.700     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.49026E-03 ppm1      3.300 ppm2      2.186 CV     1
 ASSI {  897}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG2 ))
      2.100     0.600     0.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10504E-01 ppm1      3.224 ppm2      1.601 CV     1
 OR {  897}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR {  897}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR {  897}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI {  899}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.23716E-02 ppm1      3.245 ppm2      2.008 CV     1
 ASSI {  902}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HD3 ))
      1.400     0.200     0.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.38487E-01 ppm1      3.243 ppm2      3.076 CV     1
 ASSI {  903}
   (( segid "    " and resid 80   and name HD3 ))
   (( segid "    " and resid 80   and name HG2 ))
      2.000     0.500     0.500 peak   903 spectrum    1 weight  0.10000E+01 volume  0.15193E-01 ppm1      3.263 ppm2      1.700 CV     1
 OR {  903}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI {  904}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 88   and name HG2%)
      4.100     2.100     1.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.74618E-03 ppm1      0.588 ppm2      1.160 CV     1
 ASSI {  905}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 87   and name HB3 ))
      3.200     1.200     1.200 peak   905 spectrum    1 weight  0.10000E+01 volume  0.11945E-02 ppm1      0.588 ppm2      1.086 CV     1
 ASSI {  907}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 71   and name HG2%)
      2.700     0.900     0.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.27275E-02 ppm1      0.589 ppm2      0.405 CV     1
 ASSI {  908}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 87   and name HD2%)
      2.700     0.900     0.900 peak   908 spectrum    1 weight  0.10000E+01 volume  0.29211E-02 ppm1      0.589 ppm2      0.195 CV     1
 ASSI {  911}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      2.400     0.700     0.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.47045E-02 ppm1      0.586 ppm2      1.946 CV     1
 ASSI {  913}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 87   and name HB2 ))
      3.600     1.600     1.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.10052E-02 ppm1      0.592 ppm2      1.491 CV     1
 OR {  913}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 87   and name HG  ))
 ASSI {  914}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HG3 ))
      4.300     2.300     1.700 peak   914 spectrum    1 weight  0.10000E+01 volume  0.56651E-03 ppm1      0.592 ppm2      2.292 CV     1
 ASSI {  916}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.17136E-02 ppm1      0.588 ppm2      9.203 CV     1
 ASSI {  918}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
      5.200     3.300     0.800 peak   918 spectrum    1 weight  0.10000E+01 volume  0.28127E-03 ppm1      0.579 ppm2      8.948 CV     1
 ASSI {  919}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.13020E-02 ppm1      0.589 ppm2      8.651 CV     1
 ASSI {  920}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 13   and name HD% )
      3.000     3.000     3.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.24053E-02 ppm1      0.587 ppm2      7.099 CV     1
 ASSI {  921}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 31   and name HD% )
      3.000     3.000     3.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.81729E-03 ppm1      0.589 ppm2      6.580 CV     1
 ASSI {  922}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.400     1.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.15953E-02 ppm1      0.587 ppm2      5.322 CV     1
 ASSI {  924}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.22591E-02 ppm1      0.587 ppm2      4.905 CV     1
 ASSI {  925}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.300     3.300     2.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.45615E-03 ppm1      0.590 ppm2      8.758 CV     1
 ASSI {  927}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 73   and name HB  ))
      3.200     1.300     1.300 peak   927 spectrum    1 weight  0.10000E+01 volume  0.16966E-02 ppm1      0.184 ppm2      1.952 CV     1
 ASSI {  928}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 86   and name HB% )
      2.600     2.600     3.400 peak   928 spectrum    1 weight  0.10000E+01 volume  0.17432E-02 ppm1      0.184 ppm2      1.652 CV     1
 ASSI {  929}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 87   and name HG  ))
      2.300     0.700     0.700 peak   929 spectrum    1 weight  0.10000E+01 volume  0.69834E-02 ppm1      0.184 ppm2      1.496 CV     1
 OR {  929}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  930}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 87   and name HB3 ))
      2.500     0.800     0.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.27889E-02 ppm1      0.182 ppm2      1.093 CV     1
 ASSI {  931}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 31   and name HD% )
      3.300     1.300     1.300 peak   931 spectrum    1 weight  0.10000E+01 volume  0.46024E-03 ppm1      0.179 ppm2      6.582 CV     1
 ASSI {  936}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.200     1.200 peak   936 spectrum    1 weight  0.10000E+01 volume  0.25160E-02 ppm1      0.183 ppm2      3.943 CV     1
 ASSI {  942}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HE2 ))
      3.900     1.900     1.900 peak   942 spectrum    1 weight  0.10000E+01 volume  0.78369E-03 ppm1      1.727 ppm2      2.978 CV     1
 OR {  942}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HE3 ))
 ASSI {  943}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.700     0.400     0.500 peak   943 spectrum    1 weight  0.10000E+01 volume  0.17195E-01 ppm1      1.731 ppm2      1.889 CV     1
 ASSI {  944}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG2 ))
      2.700     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.27180E-02 ppm1      1.734 ppm2      1.465 CV     1
 ASSI {  945}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG3 ))
      2.800     1.000     1.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.29345E-02 ppm1      1.731 ppm2      1.387 CV     1
 ASSI {  947}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.32130E-02 ppm1      1.739 ppm2      4.541 CV     1
 ASSI {  951}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 41   and name HD1%)
      4.100     2.100     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.10922E-02 ppm1      1.730 ppm2      0.795 CV     1
 ASSI {  955}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
      1.700     0.400     0.500 peak   955 spectrum    1 weight  0.10000E+01 volume  0.12508E-01 ppm1      1.735 ppm2      2.215 CV     1
 ASSI {  956}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
      2.100     0.500     0.500 peak   956 spectrum    1 weight  0.10000E+01 volume  0.10675E-01 ppm1      1.736 ppm2      1.999 CV     1
 OR {  956}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  959}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HE2 ))
      3.600     1.600     1.600 peak   959 spectrum    1 weight  0.10000E+01 volume  0.97860E-03 ppm1      1.889 ppm2      2.973 CV     1
 OR {  959}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HE3 ))
 ASSI {  961}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak   961 spectrum    1 weight  0.10000E+01 volume  0.65749E-03 ppm1      1.727 ppm2      9.056 CV     1
 ASSI {  967}
   (( segid "    " and resid 15   and name HA2 ))
   (  segid "    " and resid 29   and name HG1%)
      2.600     0.900     0.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.26625E-02 ppm1      3.162 ppm2      0.573 CV     1
 ASSI {  969}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.300     1.400     1.400 peak   969 spectrum    1 weight  0.10000E+01 volume  0.51407E-03 ppm1      3.165 ppm2      2.158 CV     1
 ASSI {  975}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 31   and name HB3 ))
      4.100     2.100     1.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.60834E-03 ppm1      5.015 ppm2      2.160 CV     1
 ASSI {  976}
   (( segid "    " and resid 15   and name HA1 ))
   (  segid "    " and resid 29   and name HG1%)
      3.800     1.800     1.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.22669E-02 ppm1      5.016 ppm2      0.569 CV     1
 ASSI {  978}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 14   and name HA  ))
      4.100     2.100     1.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.84925E-03 ppm1      5.009 ppm2      4.870 CV     1
 ASSI {  980}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
      4.600     2.600     1.400 peak   980 spectrum    1 weight  0.10000E+01 volume  0.69424E-03 ppm1      5.258 ppm2      2.159 CV     1
 ASSI {  981}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      4.500     2.600     1.500 peak   981 spectrum    1 weight  0.10000E+01 volume  0.57572E-03 ppm1      5.257 ppm2      2.050 CV     1
 ASSI {  982}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.500     0.800     0.800 peak   982 spectrum    1 weight  0.10000E+01 volume  0.31840E-02 ppm1      5.259 ppm2      1.673 CV     1
 OR {  982}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  983}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HG12))
      4.600     2.600     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.52162E-03 ppm1      5.263 ppm2      1.542 CV     1
 ASSI {  986}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      3.700     1.700     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.59373E-03 ppm1      5.255 ppm2      0.366 CV     1
 ASSI {  988}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HE3 ))
      3.200     1.300     1.300 peak   988 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      1.658 ppm2      3.015 CV     1
 OR {  988}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  988}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HE3 ))
 ASSI {  989}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      3.400     1.500     1.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.71039E-03 ppm1      1.656 ppm2      2.777 CV     1
 OR {  989}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
 ASSI {  991}
   (( segid "    " and resid 47   and name HG3 ))
   (  segid "    " and resid 51   and name HB% )
      3.900     3.900     2.100 peak   991 spectrum    1 weight  0.10000E+01 volume  0.68039E-03 ppm1      1.739 ppm2      1.478 CV     1
 ASSI {  992}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.200     0.600     0.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.72065E-02 ppm1      1.661 ppm2      1.369 CV     1
 OR {  992}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  996}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG2%)
      2.300     0.700     0.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.62375E-02 ppm1      1.682 ppm2      0.567 CV     1
 OR {  996}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI {  997}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   997 spectrum    1 weight  0.10000E+01 volume  0.15856E-02 ppm1      1.759 ppm2      4.079 CV     1
 ASSI {  998}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 68   and name HA2 ))
      4.200     2.200     1.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.58257E-03 ppm1      1.657 ppm2      3.598 CV     1
 OR {  998}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 68   and name HA2 ))
 ASSI { 1000}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 37   and name HA1 ))
      4.600     2.600     1.400 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.41203E-03 ppm1      1.665 ppm2      5.121 CV     1
 ASSI { 1001}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HA1 ))
      4.600     2.600     1.400 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.51874E-03 ppm1      1.654 ppm2      5.016 CV     1
 OR { 1001}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 15   and name HA1 ))
 ASSI { 1002}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 29   and name HA  ))
      3.700     1.700     1.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.50582E-03 ppm1      1.676 ppm2      4.652 CV     1
 ASSI { 1004}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 20   and name HD1%)
      4.800     2.800     1.200 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.62791E-03 ppm1      4.290 ppm2      0.672 CV     1
 ASSI { 1006}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB  ))
      3.300     1.400     1.400 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.78382E-03 ppm1      4.291 ppm2      2.397 CV     1
 ASSI { 1010}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.12516E-02 ppm1      2.386 ppm2      7.717 CV     1
 ASSI { 1011}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      4.900     3.000     1.100 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.40489E-03 ppm1      2.380 ppm2      5.275 CV     1
 ASSI { 1017}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 19   and name HG3 ))
      2.800     2.800     3.200 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.11860E-02 ppm1      2.358 ppm2      1.575 CV     1
 OR { 1017}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 19   and name HG3 ))
 ASSI { 1021}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 17   and name HG2%)
      4.500     2.500     1.500 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.52151E-03 ppm1      4.222 ppm2      0.799 CV     1
 ASSI { 1022}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.60992E-02 ppm1      4.220 ppm2      4.524 CV     1
 ASSI { 1024}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 68   and name HA1 ))
      2.500     2.500     3.500 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.81421E-02 ppm1      4.521 ppm2      4.438 CV     1
 ASSI { 1026}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 29   and name HA  ))
      3.700     1.700     1.700 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.18665E-02 ppm1      4.514 ppm2      4.632 CV     1
 ASSI { 1029}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG12))
      3.000     1.100     1.100 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.12211E-02 ppm1      4.271 ppm2      1.458 CV     1
 ASSI { 1030}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      3.400     1.400     1.400 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.12309E-02 ppm1      4.272 ppm2      1.165 CV     1
 ASSI { 1031}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG13))
      2.700     0.900     0.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.18604E-02 ppm1      4.272 ppm2      0.826 CV     1
 ASSI { 1032}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.35565E-02 ppm1      4.272 ppm2      0.714 CV     1
 OR { 1032}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 1034}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 67   and name HG3 ))
      4.000     2.000     2.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.44539E-03 ppm1      1.819 ppm2      2.265 CV     1
 OR { 1034}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1036}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HG13))
      2.700     0.900     0.900 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.24304E-02 ppm1      1.831 ppm2      0.821 CV     1
 ASSI { 1037}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      2.300     0.600     0.600 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.71764E-02 ppm1      1.819 ppm2      0.706 CV     1
 OR { 1037}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 1040}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 17   and name HG13))
      4.900     3.000     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.50796E-03 ppm1      1.814 ppm2      1.329 CV     1
 ASSI { 1043}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
      4.200     2.300     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.49354E-03 ppm1      1.814 ppm2      4.160 CV     1
 ASSI { 1047}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.900     1.100     1.100 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.16259E-02 ppm1      5.343 ppm2      2.199 CV     1
 ASSI { 1057}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.14448E-02 ppm1      1.871 ppm2      5.338 CV     1
 ASSI { 1059}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      1.900     0.400     0.400 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.76247E-02 ppm1      2.202 ppm2      1.878 CV     1
 ASSI { 1060}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 24   and name HG  ))
      3.300     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.23803E-02 ppm1      2.200 ppm2      1.748 CV     1
 ASSI { 1063}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 26   and name HB% )
      5.200     3.400     0.800 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.42951E-03 ppm1      2.200 ppm2      0.573 CV     1
 ASSI { 1065}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
      2.400     0.700     0.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.58324E-02 ppm1      1.871 ppm2      2.348 CV     1
 OR { 1065}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1067}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 24   and name HD1%)
      3.000     1.100     1.100 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.12757E-02 ppm1      1.873 ppm2      1.114 CV     1
 ASSI { 1068}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 24   and name HD2%)
      3.800     1.800     1.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.51802E-03 ppm1      1.861 ppm2      0.982 CV     1
 ASSI { 1069}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 26   and name HB% )
      5.100     3.200     0.900 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.51927E-03 ppm1      1.873 ppm2      0.583 CV     1
 ASSI { 1073}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 21   and name HB2 ))
      5.000     3.200     1.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.47340E-03 ppm1      1.718 ppm2      2.200 CV     1
 ASSI { 1074}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HA  ))
      2.700     0.900     0.900 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.32629E-02 ppm1      1.643 ppm2      4.473 CV     1
 OR { 1074}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
 ASSI { 1078}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
      5.300     3.500     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.41928E-03 ppm1      1.852 ppm2      2.210 CV     1
 ASSI { 1079}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HB2 ))
      2.100     0.500     0.500 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.46302E-02 ppm1      1.857 ppm2      1.725 CV     1
 ASSI { 1081}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 88   and name HN  ))
      3.700     1.700     1.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.54347E-03 ppm1      1.096 ppm2      8.436 CV     1
 ASSI { 1085}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      3.600     1.600     1.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.56260E-03 ppm1      1.507 ppm2      8.943 CV     1
 ASSI { 1087}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 38   and name HZ  ))
      3.700     1.700     1.700 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.42162E-03 ppm1      1.708 ppm2      7.197 CV     1
 OR { 1087}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 38   and name HE% )
 ASSI { 1093}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
      3.000     3.000     3.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.74789E-03 ppm1      0.969 ppm2      4.380 CV     1
 ASSI { 1094}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      3.900     1.900     1.900 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.57833E-03 ppm1      0.972 ppm2      4.945 CV     1
 ASSI { 1095}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 88   and name HB  ))
      3.100     3.100     2.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.63537E-03 ppm1      0.982 ppm2      4.160 CV     1
 ASSI { 1096}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 23   and name HB3 ))
      3.000     3.000     3.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.79512E-03 ppm1      0.958 ppm2      4.042 CV     1
 OR { 1096}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1098}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 24   and name HD2%)
      1.800     0.400     0.400 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.30017E-01 ppm1      1.112 ppm2      0.983 CV     1
 ASSI { 1099}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 20   and name HG13))
      3.900     1.900     1.900 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.12867E-02 ppm1      1.110 ppm2      0.845 CV     1
 ASSI { 1101}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 26   and name HB% )
      3.000     1.100     1.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.13884E-02 ppm1      1.111 ppm2      0.582 CV     1
 ASSI { 1104}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HG  ))
      2.200     0.600     0.600 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.59865E-02 ppm1      1.110 ppm2      1.738 CV     1
 ASSI { 1105}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
      3.200     1.200     1.200 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.16201E-02 ppm1      1.110 ppm2      2.204 CV     1
 ASSI { 1107}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.66494E-03 ppm1      0.968 ppm2      2.204 CV     1
 ASSI { 1109}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HG  ))
      2.100     0.600     0.600 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.90249E-02 ppm1      0.971 ppm2      1.750 CV     1
 ASSI { 1110}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 19   and name HG3 ))
      3.900     1.900     1.900 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.88580E-03 ppm1      0.971 ppm2      1.567 CV     1
 ASSI { 1112}
   (  segid "    " and resid 89   and name HG2%)
   (  segid "    " and resid 87   and name HD2%)
      3.000     3.000     3.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.88265E-03 ppm1      0.972 ppm2      0.201 CV     1
 ASSI { 1114}
   (  segid "    " and resid 24   and name HD2%)
   (  segid "    " and resid 38   and name HE% )
      3.400     1.400     1.400 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.10453E-02 ppm1      0.968 ppm2      7.189 CV     1
 ASSI { 1115}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      2.400     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.50969E-02 ppm1      4.205 ppm2      0.882 CV     1
 ASSI { 1116}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HD22))
      4.500     2.500     1.500 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.53599E-03 ppm1      2.971 ppm2      6.912 CV     1
 ASSI { 1117}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HD21))
      3.300     1.400     1.400 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.87026E-03 ppm1      2.971 ppm2      7.612 CV     1
 ASSI { 1119}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
      3.800     1.800     1.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.57284E-03 ppm1      4.201 ppm2      1.706 CV     1
 OR { 1119}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 62   and name HD3 ))
 ASSI { 1122}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.100     3.100     2.900 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.43483E-02 ppm1      4.203 ppm2      4.025 CV     1
 OR { 1122}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1123}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.32755E-02 ppm1      2.523 ppm2      4.568 CV     1
 ASSI { 1125}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD3 ))
      3.900     1.900     1.900 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      2.550 ppm2      4.083 CV     1
 ASSI { 1128}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 53   and name HA  ))
      4.400     2.400     1.600 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.87409E-03 ppm1      2.530 ppm2      4.443 CV     1
 ASSI { 1130}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.300     0.700     0.700 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.53625E-02 ppm1      2.546 ppm2      2.331 CV     1
 ASSI { 1132}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      1.800     0.400     0.400 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.11537E-01 ppm1      2.522 ppm2      2.078 CV     1
 ASSI { 1134}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 51   and name HB% )
      4.500     2.500     1.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.68030E-03 ppm1      2.540 ppm2      1.489 CV     1
 ASSI { 1135}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
      3.900     1.900     1.900 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.11886E-02 ppm1      2.552 ppm2      0.883 CV     1
 ASSI { 1139}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.700     0.900     0.900 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.53491E-02 ppm1      2.194 ppm2      2.337 CV     1
 ASSI { 1140}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.000     0.500     0.500 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.10305E-01 ppm1      2.209 ppm2      2.002 CV     1
 OR { 1140}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 1141}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HG3 ))
      2.200     0.600     0.600 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.54427E-02 ppm1      2.200 ppm2      1.883 CV     1
 ASSI { 1143}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 62   and name HG2 ))
      4.000     2.000     2.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.41858E-03 ppm1      2.181 ppm2      1.512 CV     1
 ASSI { 1146}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.900     3.000     1.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.52509E-03 ppm1      2.207 ppm2      4.654 CV     1
 ASSI { 1147}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.35344E-02 ppm1      2.211 ppm2      4.542 CV     1
 ASSI { 1151}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HD3 ))
      3.600     1.700     1.700 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.11496E-02 ppm1      2.185 ppm2      4.080 CV     1
 ASSI { 1154}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.30228E-02 ppm1      4.427 ppm2      4.648 CV     1
 ASSI { 1158}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 49   and name HE% )
      4.100     2.100     1.900 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.58663E-03 ppm1      2.214 ppm2      7.089 CV     1
 ASSI { 1162}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 40   and name HG3 ))
      2.700     0.900     0.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.26216E-02 ppm1      3.812 ppm2      2.188 CV     1
 OR { 1162}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI { 1163}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.900     1.900     1.900 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.10937E-02 ppm1      3.816 ppm2      2.028 CV     1
 ASSI { 1164}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
      5.000     3.100     1.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.62655E-03 ppm1      2.335 ppm2      5.338 CV     1
 ASSI { 1167}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.300     1.300     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.14035E-02 ppm1      2.315 ppm2      3.801 CV     1
 ASSI { 1172}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.500     2.500     3.500 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.28137E-02 ppm1      2.331 ppm2      2.005 CV     1
 ASSI { 1177}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 21   and name HA  ))
      4.800     2.900     1.200 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.60698E-03 ppm1      1.887 ppm2      5.340 CV     1
 ASSI { 1179}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB3 ))
      1.700     0.300     0.500 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.25966E-01 ppm1      2.894 ppm2      2.967 CV     1
 ASSI { 1181}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.200     3.200     2.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.23576E-02 ppm1      2.968 ppm2      3.056 CV     1
 ASSI { 1184}
   (( segid "    " and resid 22   and name HG3 ))
   (  segid "    " and resid 61   and name HG2%)
      3.700     1.700     1.700 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.71983E-03 ppm1      1.887 ppm2      0.886 CV     1
 ASSI { 1185}
   (( segid "    " and resid 22   and name HG3 ))
   (  segid "    " and resid 20   and name HG2%)
      3.400     1.500     1.500 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.10011E-02 ppm1      1.885 ppm2      0.716 CV     1
 ASSI { 1187}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.13009E-02 ppm1      4.204 ppm2      3.792 CV     1
 ASSI { 1189}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.37266E-02 ppm1      3.791 ppm2      2.318 CV     1
 OR { 1189}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR { 1189}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI { 1190}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.600     0.900     0.900 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.22199E-02 ppm1      3.791 ppm2      2.212 CV     1
 ASSI { 1191}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      2.800     1.000     1.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.18768E-02 ppm1      3.791 ppm2      0.882 CV     1
 ASSI { 1196}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.500     1.500 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.73263E-03 ppm1      0.573 ppm2      2.350 CV     1
 OR { 1196}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 25   and name HG3 ))
 ASSI { 1199}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 24   and name HB3 ))
      3.700     1.700     1.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.20098E-02 ppm1      0.572 ppm2      1.862 CV     1
 ASSI { 1200}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 24   and name HB2 ))
      2.900     1.000     1.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.21913E-02 ppm1      0.573 ppm2      1.702 CV     1
 ASSI { 1201}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 41   and name HB2 ))
      2.900     2.900     3.100 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.71696E-02 ppm1      0.574 ppm2      1.392 CV     1
 ASSI { 1202}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 61   and name HG12))
      4.600     2.700     1.400 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.54192E-03 ppm1      0.571 ppm2      1.265 CV     1
 ASSI { 1207}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.37402E-02 ppm1      2.970 ppm2      4.659 CV     1
 ASSI { 1216}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 44   and name HG12))
      4.600     2.700     1.400 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.41172E-03 ppm1      1.389 ppm2      1.875 CV     1
 ASSI { 1218}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HG  ))
      2.700     0.900     0.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.31301E-02 ppm1      1.384 ppm2      1.646 CV     1
 ASSI { 1220}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 61   and name HG12))
      4.200     2.300     1.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.62446E-03 ppm1      1.389 ppm2      1.249 CV     1
 ASSI { 1226}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 26   and name HA  ))
      4.000     2.000     2.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.85151E-03 ppm1      1.141 ppm2      4.663 CV     1
 ASSI { 1227}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.44067E-02 ppm1      1.152 ppm2      5.010 CV     1
 ASSI { 1235}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 61   and name HG13))
      2.800     0.900     0.900 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.65095E-02 ppm1      1.156 ppm2      1.042 CV     1
 ASSI { 1236}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 61   and name HG2%)
      3.200     1.300     1.300 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.44073E-02 ppm1      1.152 ppm2      0.857 CV     1
 ASSI { 1238}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 20   and name HB  ))
      4.500     2.500     1.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.58142E-03 ppm1      1.149 ppm2      1.827 CV     1
 ASSI { 1239}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 17   and name HG12))
      3.500     1.600     1.600 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.10700E-02 ppm1      1.148 ppm2      1.525 CV     1
 ASSI { 1240}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 20   and name HG12))
      2.700     0.900     0.900 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.16286E-02 ppm1      1.150 ppm2      1.441 CV     1
 ASSI { 1241}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 17   and name HG13))
      2.100     2.100     3.900 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.83084E-02 ppm1      1.150 ppm2      1.314 CV     1
 ASSI { 1242}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 17   and name HG2%)
      2.400     0.700     0.700 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.69520E-02 ppm1      1.149 ppm2      0.778 CV     1
 ASSI { 1244}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      5.000     3.200     1.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.40060E-03 ppm1      5.620 ppm2      3.114 CV     1
 ASSI { 1245}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.900     1.100     1.100 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.14837E-02 ppm1      5.601 ppm2      2.977 CV     1
 ASSI { 1248}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 19   and name HD2 ))
      4.800     2.800     1.200 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.41519E-03 ppm1      3.016 ppm2      3.242 CV     1
 ASSI { 1251}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.700     2.700     1.300 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.49973E-03 ppm1      2.955 ppm2      3.326 CV     1
 ASSI { 1253}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
      4.400     2.500     1.600 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.63849E-03 ppm1      2.999 ppm2      1.883 CV     1
 ASSI { 1260}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.100     0.500     0.500 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.46702E-02 ppm1      2.812 ppm2      3.382 CV     1
 ASSI { 1274}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.300     0.700     0.700 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.30111E-02 ppm1      2.168 ppm2      3.137 CV     1
 ASSI { 1276}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 14   and name HE3 ))
      3.700     1.700     1.700 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.54926E-03 ppm1      2.147 ppm2      3.003 CV     1
 OR { 1276}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 14   and name HE2 ))
 ASSI { 1277}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
      2.000     0.500     0.500 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.40667E-02 ppm1      3.075 ppm2      2.722 CV     1
 ASSI { 1281}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 29   and name HG1%)
      4.200     2.200     1.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.13364E-02 ppm1      3.118 ppm2      0.581 CV     1
 ASSI { 1283}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 70   and name HG2 ))
      1.800     0.400     0.400 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.14790E-01 ppm1      2.145 ppm2      2.433 CV     1
 ASSI { 1288}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.100     1.200     1.200 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.66354E-03 ppm1      5.167 ppm2      1.112 CV     1
 ASSI { 1298}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG3 ))
      3.000     1.100     1.100 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.22945E-02 ppm1      3.934 ppm2      2.263 CV     1
 ASSI { 1299}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.500     2.500     1.500 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.87882E-03 ppm1      3.377 ppm2      3.043 CV     1
 ASSI { 1301}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG3 ))
      2.100     0.500     0.500 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.17652E-01 ppm1      2.033 ppm2      2.262 CV     1
 OR { 1301}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HG3 ))
 ASSI { 1302}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.11721E-02 ppm1      1.621 ppm2      4.535 CV     1
 ASSI { 1303}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.300     1.300 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.85212E-03 ppm1      1.619 ppm2      7.679 CV     1
 ASSI { 1305}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 53   and name HB3 ))
      4.600     2.600     1.400 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.53483E-03 ppm1      3.376 ppm2      3.222 CV     1
 ASSI { 1306}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.100     1.100 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.22858E-02 ppm1      5.092 ppm2      3.118 CV     1
 ASSI { 1307}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      3.800     1.800     1.800 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.52392E-03 ppm1      5.093 ppm2      3.017 CV     1
 ASSI { 1308}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     3.100     2.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.62468E-03 ppm1      5.093 ppm2      4.660 CV     1
 ASSI { 1309}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HD3 ))
      4.800     2.900     1.200 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.45754E-03 ppm1      3.377 ppm2      4.169 CV     1
 ASSI { 1310}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 19   and name HD2 ))
      2.800     2.800     3.200 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.11783E-02 ppm1      3.326 ppm2      3.242 CV     1
 ASSI { 1317}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 28   and name HD% )
      4.400     2.400     1.600 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.44632E-03 ppm1      3.108 ppm2      7.125 CV     1
 ASSI { 1324}
   (( segid "    " and resid 37   and name HA1 ))
   (  segid "    " and resid 87   and name HD2%)
      4.500     2.500     1.500 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.40928E-03 ppm1      5.141 ppm2      0.174 CV     1
 ASSI { 1325}
   (( segid "    " and resid 37   and name HA1 ))
   (  segid "    " and resid 31   and name HE% )
      4.100     2.100     1.900 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.68019E-03 ppm1      5.145 ppm2      6.395 CV     1
 ASSI { 1327}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB3 ))
      2.400     0.700     0.700 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.20547E-02 ppm1      0.646 ppm2      1.693 CV     1
 ASSI { 1328}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 87   and name HB2 ))
      3.700     1.700     1.700 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.63537E-03 ppm1      0.645 ppm2      1.541 CV     1
 OR { 1328}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 87   and name HG  ))
 ASSI { 1329}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG  ))
      3.300     1.300     1.300 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.72011E-03 ppm1      0.637 ppm2      1.182 CV     1
 ASSI { 1330}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
      2.800     1.000     1.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.27339E-02 ppm1      0.632 ppm2      0.605 CV     1
 ASSI { 1331}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD2%)
      3.800     1.800     1.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.84371E-03 ppm1      0.642 ppm2      0.319 CV     1
 ASSI { 1332}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 87   and name HB2 ))
      3.800     1.800     1.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.84508E-03 ppm1      1.689 ppm2      1.532 CV     1
 OR { 1332}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 87   and name HG  ))
 ASSI { 1333}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HG  ))
      3.300     1.300     1.300 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.12216E-02 ppm1      1.687 ppm2      1.177 CV     1
 ASSI { 1334}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 39   and name HD1%)
      2.800     0.900     0.900 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.31816E-02 ppm1      1.689 ppm2      0.621 CV     1
 ASSI { 1338}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.500     1.500 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.10908E-02 ppm1      2.717 ppm2      4.361 CV     1
 ASSI { 1339}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.500     1.500     1.500 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.73352E-03 ppm1      0.642 ppm2      8.890 CV     1
 ASSI { 1341}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 44   and name HG12))
      3.400     1.500     1.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.74591E-03 ppm1      0.314 ppm2      1.838 CV     1
 ASSI { 1345}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HG  ))
      2.600     0.800     0.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.37295E-02 ppm1      0.315 ppm2      1.190 CV     1
 ASSI { 1348}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 39   and name HD1%)
      2.200     0.600     0.600 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.15577E-01 ppm1      0.316 ppm2      0.629 CV     1
 OR { 1348}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1349}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 69   and name HG2 ))
      2.900     1.100     1.100 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.12459E-02 ppm1      0.316 ppm2      2.470 CV     1
 ASSI { 1350}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 69   and name HB3 ))
      3.000     1.100     1.100 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.11109E-02 ppm1      0.315 ppm2      2.077 CV     1
 ASSI { 1352}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 17   and name HG12))
      3.600     1.600     1.600 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.11524E-02 ppm1      0.316 ppm2      1.544 CV     1
 ASSI { 1361}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.500     0.800     0.800 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.43468E-02 ppm1      2.569 ppm2      2.189 CV     1
 OR { 1361}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HG3 ))
 ASSI { 1362}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.800     0.400     0.400 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.91830E-02 ppm1      2.570 ppm2      2.004 CV     1
 ASSI { 1363}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 42   and name HB3 ))
      3.900     1.900     1.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.10437E-02 ppm1      2.568 ppm2      1.898 CV     1
 ASSI { 1364}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 42   and name HG3 ))
      3.800     1.800     1.800 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.73434E-03 ppm1      2.569 ppm2      1.559 CV     1
 OR { 1364}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1365}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 26   and name HB% )
      3.900     1.900     1.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.10128E-02 ppm1      2.570 ppm2      0.584 CV     1
 ASSI { 1366}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      4.700     2.800     1.300 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.45448E-03 ppm1      2.565 ppm2      4.646 CV     1
 ASSI { 1367}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.32973E-02 ppm1      2.569 ppm2      4.427 CV     1
 ASSI { 1368}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HD2 ))
      4.200     2.300     1.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.71525E-03 ppm1      2.571 ppm2      3.884 CV     1
 ASSI { 1369}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 26   and name HB% )
      4.500     2.500     1.500 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.76884E-03 ppm1      2.014 ppm2      0.581 CV     1
 ASSI { 1370}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
      1.400     0.200     0.800 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.65322E-01 ppm1      2.014 ppm2      2.092 CV     1
 ASSI { 1371}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
      3.600     1.700     1.700 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      2.068 ppm2      0.946 CV     1
 OR { 1371}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1373}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HD2 ))
      3.400     1.400     1.400 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.74160E-03 ppm1      2.006 ppm2      3.873 CV     1
 ASSI { 1374}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      4.000     2.000     2.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.52951E-03 ppm1      2.566 ppm2      8.748 CV     1
 ASSI { 1377}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.75296E-03 ppm1      2.000 ppm2      7.892 CV     1
 ASSI { 1379}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 25   and name HB3 ))
      3.700     1.700     1.700 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.48502E-03 ppm1      1.995 ppm2      2.234 CV     1
 ASSI { 1380}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 61   and name HG12))
      5.100     3.200     0.900 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.54835E-03 ppm1      1.999 ppm2      1.249 CV     1
 ASSI { 1382}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
      4.100     2.100     1.900 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      1.992 ppm2      2.059 CV     1
 ASSI { 1383}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HG  ))
      2.400     0.700     0.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.35341E-02 ppm1      1.984 ppm2      1.648 CV     1
 ASSI { 1384}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.100     0.500     0.500 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.27980E-02 ppm1      1.992 ppm2      1.392 CV     1
 ASSI { 1386}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 41   and name HD1%)
      3.800     1.800     1.800 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.99954E-03 ppm1      2.000 ppm2      0.788 CV     1
 ASSI { 1389}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.500     0.800     0.800 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.42050E-02 ppm1      4.316 ppm2      2.084 CV     1
 ASSI { 1391}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG3 ))
      3.600     1.600     1.600 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.14834E-02 ppm1      4.315 ppm2      1.564 CV     1
 OR { 1391}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1392}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.400     2.500     1.600 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.45308E-03 ppm1      4.307 ppm2      1.373 CV     1
 ASSI { 1393}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.42597E-02 ppm1      4.315 ppm2      1.875 CV     1
 ASSI { 1400}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HG3 ))
      2.600     0.800     0.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.33235E-02 ppm1      2.075 ppm2      1.563 CV     1
 OR { 1400}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1403}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      4.500     2.500     1.500 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.62346E-03 ppm1      1.991 ppm2      8.823 CV     1
 OR { 1403}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1409}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.68664E-03 ppm1      3.134 ppm2      4.946 CV     1
 ASSI { 1410}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.800     1.000     1.000 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.89052E-03 ppm1      1.933 ppm2      3.133 CV     1
 ASSI { 1413}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      3.800     1.800     1.800 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.56034E-03 ppm1      3.936 ppm2      2.112 CV     1
 ASSI { 1414}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.400     1.400     1.400 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.11496E-02 ppm1      3.919 ppm2      1.995 CV     1
 ASSI { 1415}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HG12))
      3.900     1.900     1.900 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.89613E-03 ppm1      3.925 ppm2      1.857 CV     1
 ASSI { 1416}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG  ))
      3.400     1.400     1.400 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.10038E-02 ppm1      3.922 ppm2      1.634 CV     1
 ASSI { 1417}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.800     0.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.16346E-02 ppm1      3.924 ppm2      1.391 CV     1
 ASSI { 1421}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HD2%)
      4.000     2.000     2.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.12127E-02 ppm1      3.924 ppm2      0.922 CV     1
 ASSI { 1422}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.13207E-02 ppm1      3.925 ppm2      4.294 CV     1
 ASSI { 1428}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.72743E-03 ppm1      1.996 ppm2      8.754 CV     1
 ASSI { 1430}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      4.400     2.400     1.600 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.56911E-03 ppm1      1.149 ppm2      4.329 CV     1
 ASSI { 1434}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      3.000     1.100     1.100 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.16184E-02 ppm1      3.803 ppm2      0.833 CV     1
 ASSI { 1435}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG13))
      3.800     1.800     1.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.51852E-03 ppm1      3.802 ppm2      0.527 CV     1
 ASSI { 1437}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HG3 ))
      4.600     2.700     1.400 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.50858E-03 ppm1      4.097 ppm2      1.578 CV     1
 OR { 1437}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1438}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HB% )
      2.400     0.700     0.700 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.52999E-02 ppm1      4.101 ppm2      1.153 CV     1
 ASSI { 1439}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      3.900     1.900     1.900 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.43654E-03 ppm1      4.101 ppm2      0.834 CV     1
 ASSI { 1443}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 93   and name HB2 ))
      3.400     1.500     1.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.76918E-03 ppm1      1.144 ppm2      1.637 CV     1
 OR { 1443}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 93   and name HB3 ))
 ASSI { 1444}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     0.900     0.900 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.30937E-02 ppm1      3.381 ppm2      1.780 CV     1
 ASSI { 1445}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG3 ))
      2.800     1.000     1.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.27789E-02 ppm1      3.378 ppm2      1.570 CV     1
 OR { 1445}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1446}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.14011E-02 ppm1      3.379 ppm2      4.223 CV     1
 ASSI { 1450}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 59   and name HD3 ))
      3.100     3.100     2.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.29921E-02 ppm1      3.380 ppm2      3.672 CV     1
 ASSI { 1452}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      3.800     3.800     2.200 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.57065E-03 ppm1      3.370 ppm2      3.187 CV     1
 ASSI { 1454}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 94   and name HA  ))
      3.800     3.800     2.200 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.13538E-02 ppm1      4.101 ppm2      4.348 CV     1
 ASSI { 1457}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      4.200     2.200     1.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.50321E-03 ppm1      4.102 ppm2      3.392 CV     1
 ASSI { 1459}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.10990E-02 ppm1      3.805 ppm2      4.109 CV     1
 ASSI { 1460}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.700     2.700     1.300 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.45205E-03 ppm1      1.699 ppm2      8.804 CV     1
 OR { 1460}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1461}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HN  ))
      4.700     2.800     1.300 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.41483E-03 ppm1      1.786 ppm2      8.774 CV     1
 ASSI { 1463}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.15733E-02 ppm1      1.691 ppm2      8.486 CV     1
 ASSI { 1465}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HN  ))
      4.800     2.900     1.200 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.38722E-03 ppm1      1.812 ppm2      8.748 CV     1
 OR { 1465}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1466}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HN  ))
      4.600     2.600     1.400 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.40498E-03 ppm1      1.730 ppm2      8.737 CV     1
 OR { 1466}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1470}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.13962E-02 ppm1      1.688 ppm2      3.370 CV     1
 ASSI { 1476}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 22   and name HG2 ))
      3.900     1.900     1.900 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.73318E-03 ppm1      1.717 ppm2      2.350 CV     1
 OR { 1476}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI { 1478}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.900     1.000     1.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.34274E-02 ppm1      1.779 ppm2      2.054 CV     1
 ASSI { 1485}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 93   and name HA  ))
      3.500     3.500     2.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.27488E-02 ppm1      4.079 ppm2      4.488 CV     1
 ASSI { 1486}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     2.900     3.100 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.29827E-02 ppm1      4.078 ppm2      4.223 CV     1
 ASSI { 1490}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.400     2.400     1.600 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.42556E-03 ppm1      4.075 ppm2      2.073 CV     1
 ASSI { 1491}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.300     0.700     0.700 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.84391E-02 ppm1      4.078 ppm2      1.758 CV     1
 OR { 1491}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1491}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI { 1492}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 93   and name HB3 ))
      4.500     2.500     1.500 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.57300E-03 ppm1      4.081 ppm2      1.637 CV     1
 OR { 1492}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
 ASSI { 1493}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.800     1.800     1.800 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.57826E-03 ppm1      4.080 ppm2      1.553 CV     1
 OR { 1493}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HG3 ))
 ASSI { 1496}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.34268E-02 ppm1      1.755 ppm2      4.080 CV     1
 OR { 1496}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1499}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 45   and name HB% )
      3.900     1.900     1.900 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.53673E-03 ppm1      1.765 ppm2      1.163 CV     1
 OR { 1499}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 45   and name HB% )
 ASSI { 1501}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.400     1.400 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.93158E-03 ppm1      1.756 ppm2      7.799 CV     1
 OR { 1501}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1502}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 91   and name HB  ))
      2.400     0.700     0.700 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.67417E-02 ppm1      0.704 ppm2      1.930 CV     1
 ASSI { 1504}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 91   and name HG13))
      2.400     0.700     0.700 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.62885E-02 ppm1      0.704 ppm2      1.385 CV     1
 ASSI { 1505}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 39   and name HG  ))
      2.500     2.500     3.500 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.25703E-02 ppm1      0.704 ppm2      1.198 CV     1
 ASSI { 1507}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG13))
      2.200     0.600     0.600 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.93288E-02 ppm1      0.802 ppm2      1.503 CV     1
 ASSI { 1509}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
      3.400     3.400     2.600 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.12320E-02 ppm1      0.803 ppm2      1.097 CV     1
 ASSI { 1510}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 74   and name HG3 ))
      2.900     1.100     1.100 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.91865E-03 ppm1      0.704 ppm2      2.311 CV     1
 ASSI { 1511}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 74   and name HG2 ))
      3.000     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.13215E-02 ppm1      0.704 ppm2      2.188 CV     1
 ASSI { 1512}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 74   and name HG2 ))
      3.700     1.700     1.700 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.53881E-03 ppm1      0.802 ppm2      2.181 CV     1
 ASSI { 1513}
   (  segid "    " and resid 91   and name HD1%)
   (  segid "    " and resid 89   and name HG2%)
      2.500     2.500     3.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.23272E-02 ppm1      0.704 ppm2      0.994 CV     1
 ASSI { 1515}
   (  segid "    " and resid 91   and name HD1%)
   (  segid "    " and resid 71   and name HG2%)
      3.100     3.100     2.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.66071E-03 ppm1      0.703 ppm2      0.401 CV     1
 ASSI { 1517}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      3.100     1.200     1.200 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.25470E-02 ppm1      0.801 ppm2      0.602 CV     1
 ASSI { 1520}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 91   and name HA  ))
      3.100     1.200     1.200 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.39750E-02 ppm1      0.704 ppm2      4.097 CV     1
 ASSI { 1522}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.12197E-02 ppm1      0.803 ppm2      4.734 CV     1
 ASSI { 1526}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 91   and name HN  ))
      3.100     1.200     1.200 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.15738E-02 ppm1      0.704 ppm2      7.672 CV     1
 ASSI { 1528}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.49228E-03 ppm1      0.800 ppm2      9.062 CV     1
 ASSI { 1531}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      3.300     3.300     2.700 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.43917E-03 ppm1      0.884 ppm2      8.744 CV     1
 ASSI { 1532}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.400     1.400 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.11318E-02 ppm1      0.886 ppm2      7.293 CV     1
 ASSI { 1534}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.43535E-02 ppm1      0.885 ppm2      4.901 CV     1
 ASSI { 1535}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.52436E-03 ppm1      0.886 ppm2      4.662 CV     1
 ASSI { 1538}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 70   and name HG3 ))
      3.400     1.400     1.400 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.61700E-03 ppm1      0.886 ppm2      2.138 CV     1
 ASSI { 1539}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 70   and name HB2 ))
      3.400     1.400     1.400 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.62218E-03 ppm1      0.886 ppm2      2.049 CV     1
 ASSI { 1540}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name HB  ))
      2.900     1.100     1.100 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.44403E-02 ppm1      0.886 ppm2      1.907 CV     1
 ASSI { 1541}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 14   and name HD3 ))
      2.700     0.900     0.900 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.37952E-02 ppm1      0.885 ppm2      1.728 CV     1
 OR { 1541}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 14   and name HD2 ))
 ASSI { 1542}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name HG13))
      2.300     0.700     0.700 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.65869E-02 ppm1      0.886 ppm2      1.632 CV     1
 ASSI { 1543}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 14   and name HG2 ))
      2.800     1.000     1.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.26389E-02 ppm1      0.886 ppm2      1.491 CV     1
 ASSI { 1544}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 14   and name HG3 ))
      2.800     2.800     3.200 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.30790E-02 ppm1      0.885 ppm2      1.403 CV     1
 ASSI { 1545}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name HG12))
      2.300     0.600     0.600 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.70847E-02 ppm1      0.886 ppm2      1.272 CV     1
 ASSI { 1548}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 12   and name HG2%)
      1.600     1.600     4.400 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.36708E-01 ppm1      0.886 ppm2      0.763 CV     1
 ASSI { 1549}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 71   and name HG2%)
      3.300     1.400     1.400 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.42743E-03 ppm1      0.891 ppm2      0.355 CV     1
 ASSI { 1550}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
      3.300     3.300     2.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.64419E-03 ppm1      0.908 ppm2      9.556 CV     1
 ASSI { 1553}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 60   and name HA  ))
      3.700     1.700     1.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.62644E-03 ppm1      0.908 ppm2      4.977 CV     1
 ASSI { 1556}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
      3.400     1.400     1.400 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      0.909 ppm2      2.332 CV     1
 ASSI { 1557}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 25   and name HB3 ))
      3.100     1.200     1.200 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.12339E-02 ppm1      0.908 ppm2      2.215 CV     1
 ASSI { 1558}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HB3 ))
      2.500     0.800     0.800 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.33967E-02 ppm1      0.908 ppm2      2.001 CV     1
 ASSI { 1561}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 62   and name HG2 ))
      3.400     3.400     2.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.13671E-02 ppm1      0.910 ppm2      1.509 CV     1
 ASSI { 1562}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      0.909 ppm2      1.395 CV     1
 ASSI { 1565}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      4.100     2.100     1.900 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.46024E-03 ppm1      0.530 ppm2      8.017 CV     1
 ASSI { 1575}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.30700E-02 ppm1      0.529 ppm2      4.290 CV     1
 ASSI { 1576}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 17   and name HB  ))
      2.900     1.100     1.100 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.18311E-02 ppm1      0.530 ppm2      2.387 CV     1
 ASSI { 1577}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      4.100     2.100     1.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      0.530 ppm2      2.283 CV     1
 ASSI { 1579}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 69   and name HB3 ))
      2.900     1.000     1.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      0.530 ppm2      2.067 CV     1
 ASSI { 1580}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 17   and name HG12))
      2.400     0.700     0.700 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.39395E-02 ppm1      0.529 ppm2      1.536 CV     1
 ASSI { 1581}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 17   and name HG13))
      2.400     0.700     0.700 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.44332E-02 ppm1      0.529 ppm2      1.344 CV     1
 ASSI { 1584}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
      3.800     1.800     1.800 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.16325E-02 ppm1      0.529 ppm2      1.006 CV     1
 ASSI { 1586}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 17   and name HG2%)
      2.300     2.300     3.700 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.27339E-01 ppm1      0.529 ppm2      0.756 CV     1
 ASSI { 1587}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 71   and name HG1%)
      2.300     0.700     0.700 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.70115E-02 ppm1      0.528 ppm2      0.333 CV     1
 ASSI { 1590}
   (  segid "    " and resid 41   and name HD2%)
   (  segid "    " and resid 64   and name HG2%)
      3.600     1.600     1.600 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.13764E-02 ppm1      0.909 ppm2      0.382 CV     1
 ASSI { 1593}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB  ))
      3.000     1.100     1.100 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.31996E-02 ppm1      0.786 ppm2      1.955 CV     1
 ASSI { 1595}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HG13))
      2.300     0.700     0.700 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.67622E-02 ppm1      0.783 ppm2      1.512 CV     1
 ASSI { 1596}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
      3.100     1.200     1.200 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.95848E-03 ppm1      0.785 ppm2      1.114 CV     1
 ASSI { 1597}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HG12))
      2.100     0.600     0.600 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.11918E-01 ppm1      0.786 ppm2      0.981 CV     1
 ASSI { 1600}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 39   and name HD2%)
      3.800     3.800     2.200 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.76514E-03 ppm1      0.784 ppm2      0.314 CV     1
 ASSI { 1601}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 87   and name HD2%)
      2.600     0.800     0.800 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.34594E-02 ppm1      0.787 ppm2      0.199 CV     1
 ASSI { 1603}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      4.000     2.000     2.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.55475E-03 ppm1      0.780 ppm2      4.266 CV     1
 ASSI { 1604}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.14946E-02 ppm1      0.786 ppm2      3.948 CV     1
 ASSI { 1605}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
      4.800     2.800     1.200 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.51164E-03 ppm1      0.788 ppm2      9.254 CV     1
 ASSI { 1608}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 13   and name HE% )
      2.400     2.400     3.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.26902E-02 ppm1      0.786 ppm2      6.883 CV     1
 ASSI { 1610}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 31   and name HE% )
      3.000     1.100     1.100 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.19740E-02 ppm1      0.786 ppm2      6.392 CV     1
 ASSI { 1612}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 67   and name HG3 ))
      3.000     1.100     1.100 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.30041E-02 ppm1      0.685 ppm2      2.264 CV     1
 OR { 1612}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1614}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 67   and name HB3 ))
      4.300     2.300     1.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.10370E-02 ppm1      0.686 ppm2      1.965 CV     1
 OR { 1614}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 1615}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 20   and name HB  ))
      2.300     0.700     0.700 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.62786E-02 ppm1      0.685 ppm2      1.828 CV     1
 ASSI { 1618}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 20   and name HG12))
      2.100     0.500     0.500 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.92836E-02 ppm1      0.685 ppm2      1.449 CV     1
 ASSI { 1620}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 61   and name HG13))
      3.600     1.600     1.600 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.11177E-02 ppm1      0.685 ppm2      1.055 CV     1
 ASSI { 1621}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 20   and name HG13))
      1.800     0.400     0.400 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.25306E-01 ppm1      0.686 ppm2      0.834 CV     1
 ASSI { 1624}
   (  segid "    " and resid 20   and name HD1%)
   (  segid "    " and resid 71   and name HG1%)
      4.000     2.000     2.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.97360E-03 ppm1      0.684 ppm2      0.329 CV     1
 ASSI { 1626}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
      2.500     0.800     0.800 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.42689E-02 ppm1      0.686 ppm2      4.577 CV     1
 ASSI { 1628}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.300     1.300 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.21481E-02 ppm1      0.685 ppm2      4.179 CV     1
 ASSI { 1629}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 67   and name HA  ))
      4.400     2.400     1.600 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.91256E-03 ppm1      0.686 ppm2      3.648 CV     1
 ASSI { 1634}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      3.400     1.500     1.500 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.83974E-03 ppm1      0.685 ppm2      8.019 CV     1
 ASSI { 1636}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.53712E-03 ppm1      0.685 ppm2      5.107 CV     1
 ASSI { 1637}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 27   and name HA  ))
      4.500     2.500     1.500 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.71162E-03 ppm1      0.686 ppm2      5.004 CV     1
 ASSI { 1638}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      4.100     2.100     1.900 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.56186E-03 ppm1      0.685 ppm2      4.727 CV     1
 ASSI { 1639}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.34854E-02 ppm1      0.578 ppm2      3.925 CV     1
 ASSI { 1640}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
      2.800     1.000     1.000 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.26221E-02 ppm1      0.579 ppm2      2.116 CV     1
 ASSI { 1641}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 44   and name HG12))
      2.400     0.700     0.700 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.49248E-02 ppm1      0.580 ppm2      1.845 CV     1
 ASSI { 1642}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
      3.400     1.400     1.400 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.30460E-02 ppm1      0.579 ppm2      1.196 CV     1
 ASSI { 1645}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      3.300     1.300     1.300 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.29172E-02 ppm1      0.573 ppm2      3.793 CV     1
 ASSI { 1646}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.300     1.300 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.47483E-03 ppm1      0.572 ppm2      2.327 CV     1
 OR { 1646}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 25   and name HG2 ))
 OR { 1646}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 25   and name HG3 ))
 ASSI { 1648}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 41   and name HB3 ))
      3.700     1.700     1.700 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.13705E-02 ppm1      0.573 ppm2      1.991 CV     1
 ASSI { 1649}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HB  ))
      2.400     0.700     0.700 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.39680E-02 ppm1      0.573 ppm2      1.707 CV     1
 ASSI { 1651}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HG13))
      2.400     0.700     0.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.42417E-02 ppm1      0.573 ppm2      1.067 CV     1
 ASSI { 1652}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 61   and name HG2%)
      1.700     0.400     0.500 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.36761E-01 ppm1      0.573 ppm2      0.894 CV     1
 ASSI { 1653}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.26299E-02 ppm1      0.573 ppm2      4.652 CV     1
 ASSI { 1654}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
      2.900     2.900     3.100 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.94924E-03 ppm1      0.573 ppm2      4.425 CV     1
 ASSI { 1655}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.800     1.800 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.67566E-03 ppm1      0.573 ppm2      4.288 CV     1
 ASSI { 1657}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 27   and name HA  ))
      3.900     1.900     1.900 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.69759E-03 ppm1      0.572 ppm2      4.983 CV     1
 ASSI { 1658}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      4.600     2.600     1.400 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.50905E-03 ppm1      0.569 ppm2      9.561 CV     1
 ASSI { 1661}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      3.900     1.900     1.900 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.42952E-03 ppm1      0.875 ppm2      8.827 CV     1
 ASSI { 1675}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.400     1.400 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.13580E-02 ppm1      0.847 ppm2      4.534 CV     1
 ASSI { 1676}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 84   and name HA1 ))
      3.500     3.500     2.500 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      0.847 ppm2      4.329 CV     1
 ASSI { 1677}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 85   and name HA  ))
      2.700     0.900     0.900 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.37071E-02 ppm1      0.846 ppm2      4.246 CV     1
 ASSI { 1678}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.800     0.800 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.35910E-02 ppm1      0.845 ppm2      3.945 CV     1
 ASSI { 1682}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HG3 ))
      3.000     1.200     1.200 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.19968E-02 ppm1      0.846 ppm2      2.354 CV     1
 OR { 1682}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HG2 ))
 ASSI { 1683}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
      2.300     0.600     0.600 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.80045E-02 ppm1      0.845 ppm2      1.953 CV     1
 ASSI { 1686}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 87   and name HD2%)
      3.700     1.700     1.700 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.14462E-02 ppm1      0.845 ppm2      0.190 CV     1
 ASSI { 1697}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 48   and name HB3 ))
      3.200     1.300     1.300 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.17749E-02 ppm1      0.832 ppm2      3.076 CV     1
 ASSI { 1699}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 48   and name HB2 ))
      2.500     0.800     0.800 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.25740E-02 ppm1      0.828 ppm2      2.725 CV     1
 ASSI { 1700}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.56841E-02 ppm1      0.841 ppm2      4.910 CV     1
 ASSI { 1702}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
      2.300     0.700     0.700 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.42453E-02 ppm1      0.830 ppm2      2.115 CV     1
 ASSI { 1704}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HG13))
      2.500     0.800     0.800 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.41810E-02 ppm1      0.843 ppm2      1.634 CV     1
 ASSI { 1711}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HG12))
      3.300     1.300     1.300 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.45889E-02 ppm1      0.841 ppm2      1.280 CV     1
 ASSI { 1713}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 68   and name HA1 ))
      4.500     2.600     1.500 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.87409E-03 ppm1      0.773 ppm2      4.418 CV     1
 ASSI { 1720}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.21371E-02 ppm1      0.773 ppm2      4.905 CV     1
 ASSI { 1721}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.48679E-02 ppm1      0.773 ppm2      4.734 CV     1
 ASSI { 1722}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.22771E-02 ppm1      2.308 ppm2      3.793 CV     1
 OR { 1722}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1723}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.200     1.200 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.19035E-02 ppm1      0.773 ppm2      9.038 CV     1
 ASSI { 1727}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.000     2.000     2.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.10479E-02 ppm1      0.831 ppm2      7.202 CV     1
 ASSI { 1728}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.100     2.100     1.900 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.11229E-02 ppm1      0.772 ppm2      7.716 CV     1
 ASSI { 1731}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.10270E-02 ppm1      0.773 ppm2      4.523 CV     1
 ASSI { 1732}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.44872E-02 ppm1      0.773 ppm2      4.291 CV     1
 ASSI { 1733}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
      2.200     0.600     0.600 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.47921E-02 ppm1      0.774 ppm2      3.648 CV     1
 ASSI { 1734}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 17   and name HB  ))
      2.200     0.600     0.600 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.58701E-02 ppm1      0.774 ppm2      2.388 CV     1
 ASSI { 1735}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 67   and name HG2 ))
      2.600     0.800     0.800 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.34752E-02 ppm1      0.774 ppm2      2.266 CV     1
 OR { 1735}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 67   and name HG3 ))
 ASSI { 1736}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 17   and name HG13))
      2.300     0.700     0.700 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.48744E-02 ppm1      0.774 ppm2      1.347 CV     1
 ASSI { 1739}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      4.500     2.600     1.500 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.46539E-03 ppm1      0.378 ppm2      1.945 CV     1
 ASSI { 1740}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 15   and name HA2 ))
      3.200     1.200     1.200 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.59687E-03 ppm1      0.378 ppm2      3.157 CV     1
 ASSI { 1741}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 70   and name HG3 ))
      3.800     1.800     1.800 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.78841E-03 ppm1      0.378 ppm2      2.134 CV     1
 ASSI { 1744}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 71   and name HB  ))
      2.600     0.800     0.800 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.36213E-02 ppm1      0.375 ppm2      1.431 CV     1
 ASSI { 1745}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 16   and name HG3 ))
      2.700     2.700     3.300 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.14365E-02 ppm1      0.388 ppm2      1.305 CV     1
 ASSI { 1750}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 87   and name HD2%)
      3.600     1.700     1.700 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.10625E-02 ppm1      0.376 ppm2      0.200 CV     1
 ASSI { 1752}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 21   and name HB2 ))
      4.100     2.100     1.900 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.66178E-03 ppm1      0.706 ppm2      2.232 CV     1
 ASSI { 1753}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
      2.200     0.600     0.600 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.83481E-02 ppm1      0.706 ppm2      1.829 CV     1
 ASSI { 1755}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HG12))
      2.400     0.700     0.700 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.36895E-02 ppm1      0.707 ppm2      1.456 CV     1
 ASSI { 1756}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 24   and name HD1%)
      3.400     1.400     1.400 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.19047E-02 ppm1      0.707 ppm2      1.124 CV     1
 ASSI { 1758}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      2.700     0.900     0.900 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.64009E-02 ppm1      0.706 ppm2      0.604 CV     1
 ASSI { 1761}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.92015E-03 ppm1      0.707 ppm2      5.005 CV     1
 ASSI { 1763}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.800     0.800 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.35047E-02 ppm1      0.706 ppm2      4.267 CV     1
 ASSI { 1767}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.58596E-03 ppm1      0.707 ppm2      5.339 CV     1
 ASSI { 1770}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.65582E-03 ppm1      0.369 ppm2      4.900 CV     1
 ASSI { 1771}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.11376E-02 ppm1      0.707 ppm2      9.370 CV     1
 ASSI { 1774}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      3.700     1.700     1.700 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.52259E-03 ppm1      0.379 ppm2      9.200 CV     1
 ASSI { 1775}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      3.100     3.100     2.900 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.67729E-03 ppm1      0.377 ppm2      8.814 CV     1
 ASSI { 1777}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.500     1.500 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.13562E-02 ppm1      1.283 ppm2      4.656 CV     1
 ASSI { 1778}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 59   and name HA  ))
      3.500     1.500     1.500 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.12036E-02 ppm1      1.281 ppm2      4.553 CV     1
 ASSI { 1779}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 54   and name HA  ))
      4.600     2.700     1.400 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.66216E-03 ppm1      1.283 ppm2      4.355 CV     1
 ASSI { 1783}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 59   and name HD2 ))
      4.700     2.800     1.300 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.43361E-03 ppm1      1.283 ppm2      3.884 CV     1
 ASSI { 1784}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 59   and name HG3 ))
      5.100     3.200     0.900 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.49407E-03 ppm1      1.280 ppm2      2.004 CV     1
 OR { 1784}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1785}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 46   and name HB3 ))
      3.300     3.300     2.700 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.46536E-03 ppm1      1.282 ppm2      1.706 CV     1
 ASSI { 1789}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 95   and name HA1 ))
      3.800     3.800     2.200 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1      1.146 ppm2      3.995 CV     1
 OR { 1789}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 95   and name HA2 ))
 ASSI { 1790}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      4.300     2.300     1.700 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.82297E-03 ppm1      1.145 ppm2      3.802 CV     1
 ASSI { 1796}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 95   and name HA1 ))
      3.800     1.800     1.800 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.83002E-03 ppm1      1.433 ppm2      4.029 CV     1
 OR { 1796}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 95   and name HA2 ))
 ASSI { 1801}
   (  segid "    " and resid 94   and name HB% )
   (  segid "    " and resid 55   and name HB% )
      1.400     1.400     4.600 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.64376E-01 ppm1      1.435 ppm2      1.309 CV     1
 ASSI { 1806}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 90   and name HB3 ))
      3.600     1.700     1.700 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.75960E-03 ppm1      1.145 ppm2      3.083 CV     1
 OR { 1806}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 1807}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 76   and name HB3 ))
      3.200     1.300     1.300 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.57826E-03 ppm1      1.140 ppm2      2.553 CV     1
 ASSI { 1808}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 74   and name HG3 ))
      2.800     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.24105E-02 ppm1      1.142 ppm2      2.313 CV     1
 ASSI { 1809}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 74   and name HG2 ))
      3.300     1.300     1.300 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.12211E-02 ppm1      1.143 ppm2      2.194 CV     1
 ASSI { 1812}
   (  segid "    " and resid 88   and name HG2%)
   (  segid "    " and resid 93   and name HD1%)
      2.400     2.400     3.600 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.11275E-01 ppm1      1.142 ppm2      0.923 CV     1
 ASSI { 1813}
   (  segid "    " and resid 88   and name HG2%)
   (  segid "    " and resid 91   and name HD1%)
      3.100     1.200     1.200 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.15830E-02 ppm1      1.142 ppm2      0.701 CV     1
 ASSI { 1814}
   (  segid "    " and resid 88   and name HG2%)
   (  segid "    " and resid 73   and name HG1%)
      2.800     1.000     1.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.41215E-02 ppm1      1.143 ppm2      0.559 CV     1
 ASSI { 1815}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 37   and name HA1 ))
      3.300     1.400     1.400 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.85561E-03 ppm1      1.470 ppm2      5.150 CV     1
 ASSI { 1816}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
      3.700     1.700     1.700 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.78772E-03 ppm1      1.458 ppm2      4.976 CV     1
 ASSI { 1818}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 33   and name HA  ))
      2.300     0.600     0.600 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.89620E-02 ppm1      1.103 ppm2      4.486 CV     1
 ASSI { 1820}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      3.800     1.800     1.800 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.67611E-03 ppm1      1.108 ppm2      4.266 CV     1
 ASSI { 1821}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 34   and name HA  ))
      4.100     2.100     1.900 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.70354E-03 ppm1      1.102 ppm2      3.934 CV     1
 ASSI { 1822}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.14116E-02 ppm1      1.103 ppm2      2.035 CV     1
 OR { 1822}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 34   and name HB3 ))
 ASSI { 1823}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 35   and name HB2 ))
      3.900     1.900     1.900 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.71662E-03 ppm1      1.104 ppm2      1.632 CV     1
 ASSI { 1826}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.42432E-03 ppm1      1.111 ppm2      8.241 CV     1
 ASSI { 1831}
   (  segid "    " and resid 33   and name HB% )
   (  segid "    " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      1.104 ppm2      6.585 CV     1
 ASSI { 1832}
   (  segid "    " and resid 33   and name HB% )
   (  segid "    " and resid 31   and name HE% )
      2.800     1.000     1.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.24776E-02 ppm1      1.104 ppm2      6.391 CV     1
 ASSI { 1833}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.50579E-03 ppm1      1.140 ppm2      9.253 CV     1
 ASSI { 1839}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 74   and name HE22))
      3.600     1.600     1.600 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.71484E-03 ppm1      1.410 ppm2      6.986 CV     1
 ASSI { 1840}
   (  segid "    " and resid 10   and name HB% )
   (  segid "    " and resid 13   and name HE% )
      4.000     2.000     2.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.45002E-03 ppm1      1.410 ppm2      6.880 CV     1
 ASSI { 1841}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 95   and name HN  ))
      3.200     1.300     1.300 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.21497E-02 ppm1      1.435 ppm2      8.375 CV     1
 ASSI { 1846}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.84412E-03 ppm1      0.573 ppm2      9.206 CV     1
 ASSI { 1851}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.10485E-02 ppm1      0.621 ppm2      7.162 CV     1
 ASSI { 1852}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      3.500     1.500     1.500 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.90879E-03 ppm1      0.571 ppm2      5.609 CV     1
 ASSI { 1853}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      2.400     0.700     0.700 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.56876E-02 ppm1      0.620 ppm2      5.115 CV     1
 ASSI { 1857}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      4.300     2.300     1.700 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.44557E-03 ppm1      0.575 ppm2      4.864 CV     1
 ASSI { 1858}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.59333E-03 ppm1      0.565 ppm2      9.204 CV     1
 ASSI { 1861}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 14   and name HA  ))
      4.400     2.400     1.600 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.44988E-03 ppm1      0.563 ppm2      4.876 CV     1
 ASSI { 1865}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.300     1.700 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.61514E-03 ppm1      0.313 ppm2      4.902 CV     1
 ASSI { 1866}
   (  segid "    " and resid 64   and name HG1%)
   (  segid "    " and resid 48   and name HD% )
      4.100     2.100     1.900 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.45651E-03 ppm1      0.106 ppm2      7.289 CV     1
 ASSI { 1868}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      3.300     1.400     1.400 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.73325E-03 ppm1      0.362 ppm2      8.297 CV     1
 ASSI { 1872}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 49   and name HD% )
      3.200     1.200     1.200 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.14595E-02 ppm1      0.362 ppm2      6.961 CV     1
 ASSI { 1874}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.51115E-02 ppm1      0.362 ppm2      3.816 CV     1
 ASSI { 1875}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 49   and name HB3 ))
      3.200     1.300     1.300 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.66041E-03 ppm1      0.363 ppm2      3.370 CV     1
 ASSI { 1877}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.100     1.100 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      0.362 ppm2      2.207 CV     1
 ASSI { 1878}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 50   and name HD3 ))
      3.000     3.000     3.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.84117E-03 ppm1      0.107 ppm2      4.164 CV     1
 ASSI { 1879}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.27910E-02 ppm1      0.107 ppm2      3.841 CV     1
 ASSI { 1880}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 49   and name HB3 ))
      3.000     1.200     1.200 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.77506E-03 ppm1      0.108 ppm2      3.378 CV     1
 ASSI { 1881}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 49   and name HB2 ))
      4.300     2.300     1.700 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.10771E-02 ppm1      0.107 ppm2      2.836 CV     1
 ASSI { 1882}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
      3.400     1.500     1.500 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.68168E-03 ppm1      0.109 ppm2      2.216 CV     1
 ASSI { 1883}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 59   and name HG3 ))
      3.200     1.300     1.300 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.52977E-03 ppm1      0.110 ppm2      2.002 CV     1
 OR { 1883}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1884}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.36473E-02 ppm1      0.314 ppm2      4.671 CV     1
 ASSI { 1885}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.22368E-02 ppm1      0.565 ppm2      4.661 CV     1
 ASSI { 1886}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.58164E-03 ppm1      0.567 ppm2      4.285 CV     1
 ASSI { 1890}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 31   and name HB3 ))
      3.100     1.200     1.200 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.13658E-02 ppm1      0.563 ppm2      2.165 CV     1
 ASSI { 1891}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 29   and name HB  ))
      2.500     0.800     0.800 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.36025E-02 ppm1      0.564 ppm2      1.688 CV     1
 ASSI { 1892}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.96505E-03 ppm1      0.975 ppm2      3.806 CV     1
 ASSI { 1893}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HA  ))
      2.800     0.900     0.900 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.22744E-02 ppm1      0.573 ppm2      4.652 CV     1
 ASSI { 1894}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
      4.000     2.000     2.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.41331E-03 ppm1      0.618 ppm2      4.380 CV     1
 ASSI { 1895}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      0.571 ppm2      4.290 CV     1
 ASSI { 1897}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 48   and name HB3 ))
      3.200     1.300     1.300 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.56631E-03 ppm1      0.619 ppm2      3.075 CV     1
 ASSI { 1898}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 48   and name HB2 ))
      4.600     2.700     1.400 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.45761E-03 ppm1      0.619 ppm2      2.716 CV     1
 ASSI { 1899}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 59   and name HB3 ))
      3.000     1.100     1.100 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.24784E-02 ppm1      0.363 ppm2      1.746 CV     1
 ASSI { 1900}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.300     0.700     0.700 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.54597E-02 ppm1      0.362 ppm2      1.630 CV     1
 ASSI { 1902}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HG  ))
      3.800     1.800     1.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.16345E-02 ppm1      0.363 ppm2      1.396 CV     1
 ASSI { 1903}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG12))
      4.300     2.300     1.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.71696E-03 ppm1      0.363 ppm2      1.234 CV     1
 ASSI { 1904}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG13))
      4.100     4.100     1.900 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.60812E-03 ppm1      0.363 ppm2      1.095 CV     1
 ASSI { 1906}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
      2.600     0.800     0.800 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.59099E-02 ppm1      0.363 ppm2      0.839 CV     1
 ASSI { 1907}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      1.600     1.600     4.400 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.34129E-01 ppm1      0.363 ppm2      0.732 CV     1
 ASSI { 1908}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 44   and name HD1%)
      2.800     1.000     1.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.51301E-02 ppm1      0.363 ppm2      0.592 CV     1
 ASSI { 1910}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 64   and name HG1%)
      2.200     0.600     0.600 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.90859E-02 ppm1      0.362 ppm2      0.114 CV     1
 ASSI { 1912}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 59   and name HB3 ))
      3.400     1.400     1.400 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.11269E-02 ppm1      0.107 ppm2      1.759 CV     1
 ASSI { 1913}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.39499E-02 ppm1      0.107 ppm2      1.631 CV     1
 ASSI { 1914}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HG  ))
      2.900     1.000     1.000 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.13144E-02 ppm1      0.108 ppm2      1.393 CV     1
 ASSI { 1916}
   (  segid "    " and resid 64   and name HG1%)
   (  segid "    " and resid 44   and name HG2%)
      2.300     0.700     0.700 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.48569E-02 ppm1      0.107 ppm2      0.837 CV     1
 ASSI { 1921}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 71   and name HG2%)
      2.700     0.900     0.900 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.35621E-02 ppm1      0.565 ppm2      0.381 CV     1
 ASSI { 1925}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 39   and name HG  ))
      2.200     2.200     3.800 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.15358E-01 ppm1      0.971 ppm2      1.207 CV     1
 ASSI { 1927}
   (  segid "    " and resid 89   and name HG2%)
   (  segid "    " and resid 73   and name HG1%)
      2.400     0.700     0.700 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.63710E-02 ppm1      0.972 ppm2      0.579 CV     1
 ASSI { 1928}
   (  segid "    " and resid 89   and name HG2%)
   (  segid "    " and resid 39   and name HD2%)
      2.600     0.900     0.900 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.39620E-02 ppm1      0.972 ppm2      0.327 CV     1
 ASSI { 1933}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 69   and name HB3 ))
      3.700     1.700     1.700 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.43535E-03 ppm1      0.619 ppm2      2.077 CV     1
 ASSI { 1935}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HB  ))
      2.400     0.700     0.700 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.58762E-02 ppm1      0.572 ppm2      1.687 CV     1
 ASSI { 1937}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HG  ))
      2.300     0.700     0.700 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.65221E-02 ppm1      0.621 ppm2      1.388 CV     1
 OR { 1937}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HB2 ))
 ASSI { 1938}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HB3 ))
      2.400     0.700     0.700 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.40359E-02 ppm1      0.619 ppm2      1.177 CV     1
 ASSI { 1939}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 27   and name HB% )
      2.500     2.500     3.500 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.27293E-02 ppm1      0.574 ppm2      1.164 CV     1
 ASSI { 1942}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 17   and name HG2%)
      2.500     2.500     3.500 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.15345E-01 ppm1      0.610 ppm2      0.759 CV     1
 ASSI { 1944}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 71   and name HG1%)
      2.500     0.800     0.800 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.50010E-02 ppm1      0.615 ppm2      0.341 CV     1
 ASSI { 1945}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 87   and name HD2%)
      3.400     1.500     1.500 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.87033E-03 ppm1      0.571 ppm2      0.198 CV     1
 ASSI { 1946}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 64   and name HG1%)
      3.000     1.100     1.100 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.20914E-02 ppm1      0.621 ppm2      0.116 CV     1
 ASSI { 1947}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.200     1.200 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.20434E-02 ppm1      0.547 ppm2      9.062 CV     1
 ASSI { 1948}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.700     1.700     1.700 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.15616E-02 ppm1      0.547 ppm2      8.652 CV     1
 ASSI { 1951}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
      4.100     2.100     1.900 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.46687E-03 ppm1      0.608 ppm2      8.894 CV     1
 ASSI { 1954}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 49   and name HZ  ))
      4.000     2.000     2.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.13735E-02 ppm1      0.795 ppm2      7.254 CV     1
 ASSI { 1955}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      3.300     1.400     1.400 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.51725E-03 ppm1      0.794 ppm2      9.556 CV     1
 ASSI { 1961}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 89   and name HA  ))
      3.100     1.200     1.200 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.14792E-02 ppm1      0.546 ppm2      5.187 CV     1
 ASSI { 1962}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 88   and name HB  ))
      4.300     2.300     1.700 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.47911E-03 ppm1      0.546 ppm2      4.159 CV     1
 ASSI { 1966}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.40493E-02 ppm1      0.609 ppm2      4.976 CV     1
 ASSI { 1971}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 93   and name HA  ))
      2.700     0.900     0.900 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.59310E-02 ppm1      0.864 ppm2      4.473 CV     1
 ASSI { 1974}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.900     1.900     1.900 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.49889E-03 ppm1      0.792 ppm2      4.978 CV     1
 ASSI { 1976}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      3.900     1.900     1.900 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.53338E-03 ppm1      0.795 ppm2      4.305 CV     1
 ASSI { 1977}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
      4.400     2.400     1.600 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.51992E-03 ppm1      0.796 ppm2      4.170 CV     1
 ASSI { 1978}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      2.500     0.800     0.800 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.45182E-02 ppm1      0.794 ppm2      3.923 CV     1
 ASSI { 1980}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
      3.700     1.700     1.700 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.77335E-03 ppm1      1.013 ppm2      5.085 CV     1
 ASSI { 1981}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.13931E-02 ppm1      1.015 ppm2      4.650 CV     1
 ASSI { 1982}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.52807E-02 ppm1      1.015 ppm2      4.521 CV     1
 ASSI { 1983}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.300     0.600     0.600 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.71799E-02 ppm1      1.015 ppm2      4.218 CV     1
 ASSI { 1986}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 73   and name HB  ))
      2.400     0.700     0.700 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.49068E-02 ppm1      0.546 ppm2      1.950 CV     1
 ASSI { 1987}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 71   and name HB  ))
      2.900     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.18772E-02 ppm1      0.547 ppm2      1.442 CV     1
 ASSI { 1988}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 39   and name HG  ))
      3.400     1.400     1.400 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.10555E-02 ppm1      0.549 ppm2      1.223 CV     1
 ASSI { 1992}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      3.800     1.800     1.800 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.66026E-03 ppm1      0.608 ppm2      3.115 CV     1
 ASSI { 1995}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 87   and name HB2 ))
      2.900     1.100     1.100 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.21533E-02 ppm1      0.609 ppm2      1.523 CV     1
 OR { 1995}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 87   and name HG  ))
 ASSI { 1996}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HG  ))
      2.500     0.800     0.800 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.41263E-02 ppm1      0.608 ppm2      1.194 CV     1
 ASSI { 1999}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 39   and name HD2%)
      2.500     0.800     0.800 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.56093E-02 ppm1      0.609 ppm2      0.325 CV     1
 ASSI { 2002}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 47   and name HG2 ))
      3.000     1.100     1.100 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.14975E-02 ppm1      0.864 ppm2      1.941 CV     1
 ASSI { 2003}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 93   and name HB3 ))
      2.200     0.600     0.600 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.13100E-01 ppm1      0.868 ppm2      1.645 CV     1
 OR { 2003}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 93   and name HB2 ))
 ASSI { 2004}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 41   and name HD2%)
      1.900     0.500     0.500 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.22227E-01 ppm1      0.795 ppm2      0.925 CV     1
 ASSI { 2005}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
      4.600     2.600     1.400 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.40056E-03 ppm1      0.794 ppm2      2.330 CV     1
 ASSI { 2006}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.84692E-03 ppm1      0.794 ppm2      2.215 CV     1
 ASSI { 2007}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
      2.800     1.000     1.000 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.13765E-02 ppm1      0.795 ppm2      2.117 CV     1
 ASSI { 2009}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 44   and name HG12))
      3.700     1.700     1.700 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.13589E-02 ppm1      0.795 ppm2      1.865 CV     1
 ASSI { 2010}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HG  ))
      2.200     0.600     0.600 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.66244E-02 ppm1      0.795 ppm2      1.635 CV     1
 ASSI { 2012}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
      2.400     0.700     0.700 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.36480E-02 ppm1      0.794 ppm2      1.395 CV     1
 ASSI { 2013}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HG12))
      3.600     1.600     1.600 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.24268E-02 ppm1      0.794 ppm2      1.257 CV     1
 ASSI { 2015}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 39   and name HD2%)
      2.400     2.400     3.600 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.16490E-01 ppm1      0.795 ppm2      0.321 CV     1
 ASSI { 2016}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
      3.400     1.400     1.400 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.14332E-02 ppm1      0.795 ppm2      0.109 CV     1
 ASSI { 2022}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 28   and name HB3 ))
      3.400     1.400     1.400 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.79696E-03 ppm1      1.017 ppm2      3.011 CV     1
 ASSI { 2023}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 30   and name HB3 ))
      3.200     1.300     1.300 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.27485E-02 ppm1      1.015 ppm2      2.776 CV     1
 ASSI { 2024}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HB  ))
      4.400     2.500     1.600 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.47072E-03 ppm1      1.015 ppm2      2.364 CV     1
 ASSI { 2025}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 67   and name HG2 ))
      4.500     2.600     1.500 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.43541E-03 ppm1      1.016 ppm2      2.258 CV     1
 OR { 2025}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 67   and name HG3 ))
 ASSI { 2026}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.32899E-02 ppm1      1.015 ppm2      2.140 CV     1
 ASSI { 2027}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HB2 ))
      4.500     2.500     1.500 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.44048E-03 ppm1      1.016 ppm2      2.031 CV     1
 ASSI { 2029}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 20   and name HG12))
      4.700     2.800     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.50919E-03 ppm1      1.022 ppm2      1.444 CV     1
 ASSI { 2030}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HG13))
      3.700     1.700     1.700 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.16516E-02 ppm1      1.011 ppm2      1.351 CV     1
 ASSI { 2032}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 33   and name HB% )
      2.600     2.600     3.400 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.97299E-02 ppm1      1.019 ppm2      1.114 CV     1
 ASSI { 2033}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 17   and name HG2%)
      3.900     1.900     1.900 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.13377E-02 ppm1      1.005 ppm2      0.780 CV     1
 ASSI { 2035}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.900     1.900     1.900 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.12571E-02 ppm1      0.971 ppm2      4.363 CV     1
 ASSI { 2038}
   (  segid "    " and resid 93   and name HD1%)
   (  segid "    " and resid 73   and name HG1%)
      1.800     1.800     4.200 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.15900E-01 ppm1      0.948 ppm2      0.578 CV     1
 OR { 2038}
   (  segid "    " and resid 93   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2040}
   (  segid "    " and resid 93   and name HD1%)
   (  segid "    " and resid 71   and name HG1%)
      2.500     2.500     3.500 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.26232E-02 ppm1      0.945 ppm2      0.321 CV     1
 ASSI { 2044}
   (  segid "    " and resid 93   and name HD1%)
   (( segid "    " and resid 93   and name HB2 ))
      2.400     0.700     0.700 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.73817E-02 ppm1      0.935 ppm2      1.647 CV     1
 OR { 2044}
   (  segid "    " and resid 93   and name HD1%)
   (( segid "    " and resid 93   and name HB3 ))
 ASSI { 2045}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
      3.700     1.800     1.800 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.60725E-03 ppm1      0.316 ppm2      4.990 CV     1
 ASSI { 2047}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 39   and name HA  ))
      3.400     1.400     1.400 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.87861E-03 ppm1      0.541 ppm2      4.988 CV     1
 ASSI { 2048}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      3.700     1.700     1.700 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.46257E-03 ppm1      0.542 ppm2      4.631 CV     1
 ASSI { 2049}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 9    and name HD2 ))
      3.200     1.300     1.300 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.17739E-02 ppm1      2.304 ppm2      1.714 CV     1
 OR { 2049}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR { 2049}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 9    and name HD3 ))
 OR { 2049}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 9    and name HD3 ))
 ASSI { 2050}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      3.800     1.800     1.800 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.80394E-03 ppm1      0.540 ppm2      1.931 CV     1
 ASSI { 2051}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 44   and name HG12))
      3.300     1.400     1.400 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.10506E-02 ppm1      0.544 ppm2      1.840 CV     1
 ASSI { 2053}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 87   and name HG  ))
      2.100     0.600     0.600 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.91899E-02 ppm1      0.542 ppm2      1.510 CV     1
 OR { 2053}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 2054}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 61   and name HG13))
      2.000     0.500     0.500 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.96724E-02 ppm1      0.542 ppm2      1.059 CV     1
 ASSI { 2057}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 17   and name HG2%)
      2.800     1.000     1.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.65273E-02 ppm1      0.544 ppm2      0.753 CV     1
 ASSI { 2058}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 87   and name HD2%)
      2.500     0.800     0.800 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.51064E-02 ppm1      0.542 ppm2      0.197 CV     1
 ASSI { 2059}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HG  ))
      2.000     0.500     0.500 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.14241E-01 ppm1      0.545 ppm2      1.390 CV     1
 OR { 2059}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 ASSI { 2062}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.49275E-03 ppm1      0.541 ppm2      9.798 CV     1
 ASSI { 2063}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.200     1.200 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.22491E-02 ppm1      2.310 ppm2      1.904 CV     1
 OR { 2063}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 2064}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 87   and name HN  ))
      3.200     1.300     1.300 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.12825E-02 ppm1      0.540 ppm2      8.969 CV     1
 ASSI { 2065}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 31   and name HD% )
      3.000     3.000     3.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.83440E-03 ppm1      0.540 ppm2      6.582 CV     1
 ASSI { 2066}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 31   and name HE% )
      3.800     1.800     1.800 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.55491E-03 ppm1      0.541 ppm2      6.390 CV     1
 ASSI { 2067}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      4.500     2.500     1.500 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.53229E-03 ppm1      0.545 ppm2      8.018 CV     1
 ASSI { 2068}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.400     1.500     1.500 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.12127E-02 ppm1      0.545 ppm2      7.155 CV     1
 ASSI { 2074}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 20   and name HG12))
      2.300     2.300     3.700 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.30174E-02 ppm1      1.255 ppm2      1.440 CV     1
 ASSI { 2075}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 17   and name HG13))
      3.300     3.300     2.700 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.24255E-02 ppm1      1.256 ppm2      1.336 CV     1
 ASSI { 2076}
   (( segid "    " and resid 61   and name HG12))
   (  segid "    " and resid 27   and name HB% )
      3.200     1.300     1.300 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.13626E-02 ppm1      1.236 ppm2      1.171 CV     1
 ASSI { 2077}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 61   and name HG13))
      1.800     0.400     0.400 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.66159E-02 ppm1      1.251 ppm2      1.074 CV     1
 ASSI { 2079}
   (( segid "    " and resid 61   and name HG12))
   (  segid "    " and resid 20   and name HG2%)
      3.000     1.100     1.100 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.11461E-02 ppm1      1.250 ppm2      0.709 CV     1
 OR { 2079}
   (( segid "    " and resid 61   and name HG12))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 2080}
   (( segid "    " and resid 61   and name HG12))
   (  segid "    " and resid 61   and name HD1%)
      2.500     0.800     0.800 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.30912E-02 ppm1      1.252 ppm2      0.581 CV     1
 ASSI { 2083}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 20   and name HG12))
      3.200     3.200     2.800 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.19449E-02 ppm1      1.064 ppm2      1.430 CV     1
 ASSI { 2087}
   (( segid "    " and resid 61   and name HG13))
   (  segid "    " and resid 20   and name HG2%)
      3.700     1.700     1.700 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.15111E-02 ppm1      1.066 ppm2      0.710 CV     1
 OR { 2087}
   (( segid "    " and resid 61   and name HG13))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 2090}
   (( segid "    " and resid 20   and name HG13))
   (( segid "    " and resid 67   and name HG2 ))
      4.100     2.100     1.900 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.43540E-03 ppm1      0.824 ppm2      2.264 CV     1
 OR { 2090}
   (( segid "    " and resid 20   and name HG13))
   (( segid "    " and resid 67   and name HG3 ))
 ASSI { 2093}
   (( segid "    " and resid 20   and name HG13))
   (( segid "    " and resid 20   and name HG12))
      1.800     0.400     0.400 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.75385E-02 ppm1      0.821 ppm2      1.455 CV     1
 ASSI { 2094}
   (( segid "    " and resid 20   and name HG13))
   (( segid "    " and resid 17   and name HG13))
      3.400     1.500     1.500 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.12092E-02 ppm1      0.821 ppm2      1.347 CV     1
 ASSI { 2095}
   (( segid "    " and resid 20   and name HG13))
   (  segid "    " and resid 27   and name HB% )
      3.000     1.100     1.100 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.18251E-02 ppm1      0.821 ppm2      1.165 CV     1
 ASSI { 2096}
   (( segid "    " and resid 20   and name HG13))
   (( segid "    " and resid 61   and name HG13))
      5.000     3.100     1.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.55349E-03 ppm1      0.833 ppm2      1.053 CV     1
 ASSI { 2097}
   (( segid "    " and resid 20   and name HG13))
   (  segid "    " and resid 20   and name HD1%)
      2.300     0.700     0.700 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.74659E-02 ppm1      0.821 ppm2      0.702 CV     1
 OR { 2097}
   (( segid "    " and resid 20   and name HG13))
   (  segid "    " and resid 20   and name HG2%)
 ASSI { 2100}
   (( segid "    " and resid 75   and name HG12))
   (( segid "    " and resid 75   and name HG13))
      1.900     0.400     0.400 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.80114E-02 ppm1      0.979 ppm2      1.537 CV     1
 ASSI { 2104}
   (( segid "    " and resid 75   and name HG12))
   (  segid "    " and resid 87   and name HD2%)
      3.400     1.500     1.500 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.12040E-02 ppm1      0.977 ppm2      0.199 CV     1
 ASSI { 2108}
   (( segid "    " and resid 75   and name HG12))
   (  segid "    " and resid 13   and name HD% )
      3.600     1.600     1.600 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.44604E-03 ppm1      0.978 ppm2      7.097 CV     1
 ASSI { 2109}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.300     1.700 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.60120E-03 ppm1      0.886 ppm2      7.357 CV     1
 ASSI { 2110}
   (( segid "    " and resid 75   and name HG12))
   (  segid "    " and resid 13   and name HE% )
      3.400     1.500     1.500 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.81373E-03 ppm1      0.977 ppm2      6.876 CV     1
 ASSI { 2111}
   (( segid "    " and resid 20   and name HG13))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.400     1.400 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.68671E-03 ppm1      0.821 ppm2      9.366 CV     1
 ASSI { 2114}
   (( segid "    " and resid 39   and name HG  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.500     3.500     2.500 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.17105E-02 ppm1      1.187 ppm2      1.123 CV     1
 ASSI { 2120}
   (( segid "    " and resid 72   and name HG12))
   (( segid "    " and resid 72   and name HG13))
      1.900     0.400     0.400 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.71559E-02 ppm1      1.270 ppm2      1.631 CV     1
 ASSI { 2128}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 17   and name HB  ))
      3.300     1.300     1.300 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.11597E-02 ppm1      1.327 ppm2      2.389 CV     1
 ASSI { 2129}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 69   and name HB3 ))
      4.200     2.200     1.800 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.60998E-03 ppm1      1.327 ppm2      2.064 CV     1
 ASSI { 2134}
   (( segid "    " and resid 17   and name HG13))
   (  segid "    " and resid 71   and name HG1%)
      4.100     2.100     1.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.77041E-03 ppm1      1.334 ppm2      0.333 CV     1
 ASSI { 2135}
   (( segid "    " and resid 91   and name HG13))
   (( segid "    " and resid 91   and name HB  ))
      3.100     1.200     1.200 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.17117E-02 ppm1      1.409 ppm2      1.914 CV     1
 ASSI { 2137}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.700     0.900     0.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.36317E-02 ppm1      1.398 ppm2      1.205 CV     1
 ASSI { 2138}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 61   and name HG13))
      3.300     1.400     1.400 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.67707E-03 ppm1      1.394 ppm2      1.056 CV     1
 ASSI { 2139}
   (( segid "    " and resid 91   and name HG13))
   (  segid "    " and resid 91   and name HG2%)
      2.900     1.000     1.000 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.42413E-02 ppm1      1.407 ppm2      0.858 CV     1
 ASSI { 2144}
   (( segid "    " and resid 91   and name HG13))
   (( segid "    " and resid 91   and name HA  ))
      3.500     1.500     1.500 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.51981E-03 ppm1      1.411 ppm2      4.097 CV     1
 ASSI { 2145}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.50976E-03 ppm1      1.393 ppm2      5.119 CV     1
 ASSI { 2146}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.49286E-03 ppm1      1.323 ppm2      4.292 CV     1
 ASSI { 2147}
   (( segid "    " and resid 72   and name HG12))
   (( segid "    " and resid 72   and name HA  ))
      3.500     1.600     1.600 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.10108E-02 ppm1      1.266 ppm2      4.911 CV     1
 ASSI { 2150}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.12791E-02 ppm1      1.329 ppm2      8.816 CV     1
 ASSI { 2152}
   (( segid "    " and resid 91   and name HG12))
   (( segid "    " and resid 91   and name HN  ))
      3.700     1.700     1.700 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.14916E-02 ppm1      1.338 ppm2      7.677 CV     1
 ASSI { 2155}
   (( segid "    " and resid 87   and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      3.600     1.600     1.600 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.60171E-03 ppm1      1.505 ppm2      0.781 CV     1
 ASSI { 2156}
   (( segid "    " and resid 87   and name HG  ))
   (  segid "    " and resid 87   and name HD1%)
      2.400     0.700     0.700 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.51727E-02 ppm1      1.510 ppm2      0.553 CV     1
 ASSI { 2157}
   (( segid "    " and resid 87   and name HG  ))
   (  segid "    " and resid 39   and name HD2%)
      4.200     2.200     1.800 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.51352E-03 ppm1      1.541 ppm2      0.323 CV     1
 ASSI { 2158}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 39   and name HG  ))
      4.000     2.000     2.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.49152E-03 ppm1      1.501 ppm2      1.206 CV     1
 ASSI { 2159}
   (( segid "    " and resid 87   and name HG  ))
   (  segid "    " and resid 87   and name HD2%)
      2.900     1.100     1.100 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.14147E-02 ppm1      1.511 ppm2      0.192 CV     1
 ASSI { 2160}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 87   and name HN  ))
      3.300     1.400     1.400 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.61100E-03 ppm1      1.510 ppm2      8.959 CV     1
 ASSI { 2167}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.300     0.700     0.700 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.40833E-02 ppm1      1.582 ppm2      2.007 CV     1
 ASSI { 2168}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.600     0.800     0.800 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.69547E-02 ppm1      1.581 ppm2      1.871 CV     1
 ASSI { 2169}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     2.600     3.400 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.34703E-02 ppm1      1.499 ppm2      1.873 CV     1
 ASSI { 2170}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 17   and name HG13))
      1.900     0.400     0.400 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.59371E-02 ppm1      1.508 ppm2      1.331 CV     1
 ASSI { 2172}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HG12))
      1.800     0.400     0.400 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.12409E-01 ppm1      1.487 ppm2      0.879 CV     1
 ASSI { 2173}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.88751E-03 ppm1      1.534 ppm2      4.299 CV     1
 ASSI { 2175}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.100     2.100     1.900 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.40838E-03 ppm1      1.576 ppm2      3.662 CV     1
 OR { 2175}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2177}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 17   and name HB  ))
      2.700     0.900     0.900 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.14172E-02 ppm1      1.528 ppm2      2.379 CV     1
 ASSI { 2182}
   (( segid "    " and resid 75   and name HG13))
   (  segid "    " and resid 87   and name HD2%)
      3.800     1.800     1.800 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.69691E-03 ppm1      1.536 ppm2      0.191 CV     1
 ASSI { 2183}
   (( segid "    " and resid 75   and name HG13))
   (( segid "    " and resid 75   and name HA  ))
      3.800     1.800     1.800 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.59220E-03 ppm1      1.536 ppm2      3.944 CV     1
 ASSI { 2185}
   (( segid "    " and resid 72   and name HG13))
   (  segid "    " and resid 93   and name HD1%)
      3.000     1.100     1.100 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.34604E-02 ppm1      1.641 ppm2      0.949 CV     1
 ASSI { 2186}
   (( segid "    " and resid 72   and name HG13))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.10782E-02 ppm1      1.637 ppm2      4.896 CV     1
 ASSI { 2191}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.22740E-02 ppm1      1.595 ppm2      4.546 CV     1
 ASSI { 2192}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.22045E-02 ppm1      1.657 ppm2      4.370 CV     1
 ASSI { 2194}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 4    and name HB3 ))
      2.400     2.400     3.600 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.76254E-02 ppm1      1.642 ppm2      2.005 CV     1
 ASSI { 2201}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.36680E-02 ppm1      1.685 ppm2      4.562 CV     1
 ASSI { 2216}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 13   and name HN  ))
      3.700     1.700     1.700 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.48430E-03 ppm1      1.491 ppm2      9.226 CV     1
 ASSI { 2218}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HE  ))
      3.300     1.400     1.400 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.59519E-03 ppm1      1.570 ppm2      7.396 CV     1
 ASSI { 2219}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.12230E-02 ppm1      1.487 ppm2      7.373 CV     1
 ASSI { 2220}
   (( segid "    " and resid 72   and name HG13))
   (( segid "    " and resid 72   and name HN  ))
      4.500     2.500     1.500 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.98223E-03 ppm1      1.630 ppm2      7.294 CV     1
 ASSI { 2223}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.300     1.300 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.12503E-02 ppm1      1.576 ppm2      7.682 CV     1
 ASSI { 2229}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HE  ))
      4.200     2.200     1.800 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.50635E-03 ppm1      1.667 ppm2      7.398 CV     1
 ASSI { 2230}
   (( segid "    " and resid 19   and name HG2 ))
   (  segid "    " and resid 28   and name HD% )
      3.900     1.900     1.900 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.49495E-03 ppm1      1.666 ppm2      7.123 CV     1
 ASSI { 2243}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
      4.400     2.400     1.600 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.57113E-03 ppm1      1.324 ppm2      8.813 CV     1
 ASSI { 2245}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.92966E-03 ppm1      1.473 ppm2      4.860 CV     1
 ASSI { 2246}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.11227E-02 ppm1      1.374 ppm2      4.856 CV     1
 ASSI { 2248}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.40690E-03 ppm1      1.319 ppm2      8.107 CV     1
 ASSI { 2259}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 68   and name HA1 ))
      3.600     1.600     1.600 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.50885E-03 ppm1      1.394 ppm2      4.448 CV     1
 ASSI { 2261}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 70   and name HG2 ))
      4.500     2.600     1.500 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.44802E-03 ppm1      1.321 ppm2      2.425 CV     1
 ASSI { 2263}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.500     3.500     2.500 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.90386E-03 ppm1      1.465 ppm2      2.130 CV     1
 OR { 2263}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI { 2266}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 11   and name HB3 ))
      4.100     2.100     1.900 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.45258E-03 ppm1      1.503 ppm2      2.832 CV     1
 OR { 2266}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI { 2267}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.44376E-03 ppm1      1.477 ppm2      4.652 CV     1
 OR { 2267}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 2268}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 68   and name HA1 ))
      4.300     2.300     1.700 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.49246E-03 ppm1      1.328 ppm2      4.442 CV     1
 ASSI { 2271}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 68   and name HA2 ))
      5.100     3.200     0.900 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.52745E-03 ppm1      1.319 ppm2      3.605 CV     1
 ASSI { 2276}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.200     0.600     0.600 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.10230E-01 ppm1      1.323 ppm2      1.683 CV     1
 OR { 2276}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 2277}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HD3 ))
      2.100     0.600     0.600 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.13729E-01 ppm1      1.492 ppm2      1.622 CV     1
 OR { 2277}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 83   and name HD2 ))
 OR { 2277}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HD2 ))
 OR { 2277}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 83   and name HD3 ))
 ASSI { 2278}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HG2 ))
      1.400     0.200     0.800 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.43605E-01 ppm1      1.330 ppm2      1.364 CV     1
 ASSI { 2280}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HE3 ))
      2.900     1.000     1.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.24834E-02 ppm1      1.548 ppm2      3.096 CV     1
 OR { 2280}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HE2 ))
 OR { 2280}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 2280}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HE2 ))
 ASSI { 2284}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.400     1.400 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.10999E-02 ppm1      1.525 ppm2      4.178 CV     1
 ASSI { 2286}
   (( segid "    " and resid 62   and name HG2 ))
   (  segid "    " and resid 20   and name HG2%)
      3.000     3.000     3.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.94554E-03 ppm1      1.521 ppm2      0.703 CV     1
 OR { 2286}
   (( segid "    " and resid 62   and name HG2 ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 2287}
   (( segid "    " and resid 62   and name HG3 ))
   (  segid "    " and resid 20   and name HG2%)
      3.100     3.100     2.900 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.95259E-03 ppm1      1.452 ppm2      0.709 CV     1
 OR { 2287}
   (( segid "    " and resid 62   and name HG3 ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 2288}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.000     1.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.25475E-02 ppm1      1.478 ppm2      4.542 CV     1
 OR { 2288}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2289}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 76   and name HB3 ))
      3.600     1.600     1.600 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.50645E-03 ppm1      1.478 ppm2      2.541 CV     1
 OR { 2289}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 76   and name HB3 ))
 ASSI { 2293}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 39   and name HA  ))
      4.500     2.500     1.500 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      2.175 ppm2      4.981 CV     1
 OR { 2293}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 2294}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.500     1.500     1.500 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.10889E-02 ppm1      2.177 ppm2      4.430 CV     1
 OR { 2294}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 2295}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HD2 ))
      2.700     0.900     0.900 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.28210E-02 ppm1      2.179 ppm2      3.877 CV     1
 OR { 2295}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 40   and name HD2 ))
 ASSI { 2296}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 42   and name HE3 ))
      4.200     2.200     1.800 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.42293E-03 ppm1      2.171 ppm2      3.097 CV     1
 OR { 2296}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 42   and name HE2 ))
 OR { 2296}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 2296}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 42   and name HE2 ))
 ASSI { 2297}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 43   and name HG2 ))
      3.700     1.700     1.700 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.84015E-03 ppm1      2.172 ppm2      2.928 CV     1
 OR { 2297}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 2298}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 42   and name HD3 ))
      3.700     3.700     2.300 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.11574E-02 ppm1      2.213 ppm2      1.781 CV     1
 OR { 2298}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 42   and name HD3 ))
 ASSI { 2300}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 42   and name HG2 ))
      3.800     1.800     1.800 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.16119E-02 ppm1      2.195 ppm2      1.572 CV     1
 OR { 2300}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 42   and name HG3 ))
 OR { 2300}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 2301}
   (( segid "    " and resid 40   and name HG2 ))
   (  segid "    " and resid 26   and name HB% )
      3.900     1.900     1.900 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.88422E-03 ppm1      2.177 ppm2      0.595 CV     1
 OR { 2301}
   (( segid "    " and resid 40   and name HG3 ))
   (  segid "    " and resid 26   and name HB% )
 ASSI { 2302}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 53   and name HB3 ))
      4.500     2.600     1.500 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.48868E-03 ppm1      2.195 ppm2      3.201 CV     1
 OR { 2302}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 53   and name HB3 ))
 ASSI { 2303}
   (( segid "    " and resid 50   and name HG2 ))
   (  segid "    " and resid 51   and name HB% )
      3.600     3.600     2.400 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.12155E-02 ppm1      2.199 ppm2      1.483 CV     1
 ASSI { 2315}
   (( segid "    " and resid 44   and name HG12))
   (  segid "    " and resid 20   and name HG2%)
      4.400     2.400     1.600 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.53264E-03 ppm1      1.845 ppm2      0.722 CV     1
 OR { 2315}
   (( segid "    " and resid 44   and name HG12))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 2316}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.200     1.200 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.70621E-03 ppm1      1.844 ppm2      3.822 CV     1
 ASSI { 2322}
   (( segid "    " and resid 44   and name HG12))
   (  segid "    " and resid 44   and name HG2%)
      3.000     1.100     1.100 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.15310E-02 ppm1      1.842 ppm2      0.831 CV     1
 ASSI { 2324}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 44   and name HG13))
      2.100     0.600     0.600 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.30331E-02 ppm1      1.842 ppm2      0.496 CV     1
 ASSI { 2327}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      1.800     0.400     0.400 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.16731E-01 ppm1      2.212 ppm2      2.325 CV     1
 OR { 2327}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI { 2330}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.66564E-03 ppm1      2.175 ppm2      7.890 CV     1
 OR { 2330}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 2333}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.69335E-03 ppm1      2.319 ppm2      7.974 CV     1
 ASSI { 2334}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.65883E-03 ppm1      2.210 ppm2      7.978 CV     1
 ASSI { 2336}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
      5.000     3.100     1.000 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.41403E-03 ppm1      2.180 ppm2      8.476 CV     1
 OR { 2336}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2340}
   (( segid "    " and resid 20   and name HG12))
   (( segid "    " and resid 67   and name HG3 ))
      4.200     2.200     1.800 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.96792E-03 ppm1      1.450 ppm2      2.264 CV     1
 OR { 2340}
   (( segid "    " and resid 20   and name HG12))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2341}
   (( segid "    " and resid 20   and name HG12))
   (( segid "    " and resid 20   and name HB  ))
      2.900     1.000     1.000 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.24890E-02 ppm1      1.454 ppm2      1.824 CV     1
 ASSI { 2342}
   (( segid "    " and resid 20   and name HG12))
   (( segid "    " and resid 17   and name HG12))
      3.100     1.200     1.200 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      1.461 ppm2      1.550 CV     1
 ASSI { 2353}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.34646E-02 ppm1      1.735 ppm2      4.342 CV     1
 OR { 2353}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 2357}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HE2 ))
      2.800     1.000     1.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.26797E-02 ppm1      1.815 ppm2      3.103 CV     1
 OR { 2357}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 2357}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HE3 ))
 OR { 2357}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HE2 ))
 ASSI { 2359}
   (( segid "    " and resid 83   and name HD2 ))
   (( segid "    " and resid 83   and name HA  ))
      3.700     1.800     1.800 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.74974E-03 ppm1      1.645 ppm2      4.434 CV     1
 OR { 2359}
   (( segid "    " and resid 83   and name HD3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 2361}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 17   and name HG2%)
      4.400     2.400     1.600 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.47977E-03 ppm1      2.001 ppm2      0.782 CV     1
 OR { 2361}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 17   and name HG2%)
 ASSI { 2362}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name HB  ))
      3.400     3.400     2.600 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.24862E-02 ppm1      1.957 ppm2      2.118 CV     1
 ASSI { 2364}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 9    and name HD2 ))
      3.300     3.300     2.700 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.14897E-02 ppm1      2.126 ppm2      1.736 CV     1
 OR { 2364}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 9    and name HD3 ))
 ASSI { 2365}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
      1.300     0.200     0.900 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.12413E+00 ppm1      2.010 ppm2      2.081 CV     1
 ASSI { 2371}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HG2 ))
      2.300     0.600     0.600 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.10339E-01 ppm1      2.135 ppm2      2.354 CV     1
 OR { 2371}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HG3 ))
 ASSI { 2372}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      3.400     3.400     2.600 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.11812E-02 ppm1      2.078 ppm2      1.799 CV     1
 ASSI { 2374}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 80   and name HB3 ))
      3.600     3.600     2.400 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.69807E-03 ppm1      2.149 ppm2      1.789 CV     1
 ASSI { 2378}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
      4.000     2.100     2.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.47628E-03 ppm1      2.149 ppm2      0.843 CV     1
 ASSI { 2385}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.43811E-03 ppm1      2.059 ppm2      8.819 CV     1
 ASSI { 2386}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.500     1.500 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.69485E-03 ppm1      2.067 ppm2      8.020 CV     1
 ASSI { 2387}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HE21))
      3.100     1.200     1.200 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.53655E-03 ppm1      2.065 ppm2      7.577 CV     1
 ASSI { 2389}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.600     1.600 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.69465E-03 ppm1      2.290 ppm2      8.019 CV     1
 ASSI { 2391}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HE21))
      3.300     1.400     1.400 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.56516E-03 ppm1      2.287 ppm2      7.575 CV     1
 ASSI { 2396}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HB2 ))
      1.600     0.300     0.600 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.25718E-01 ppm1      1.785 ppm2      1.881 CV     1
 ASSI { 2400}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      3.300     1.300     1.300 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.41833E-03 ppm1      1.998 ppm2      2.919 CV     1
 ASSI { 2402}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.20271E-02 ppm1      2.074 ppm2      4.565 CV     1
 ASSI { 2403}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HD3 ))
      3.900     1.900     1.900 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.12031E-02 ppm1      2.074 ppm2      4.180 CV     1
 ASSI { 2407}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.500     2.500     3.500 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.23048E-02 ppm1      2.071 ppm2      2.322 CV     1
 OR { 2407}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR { 2407}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI { 2408}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HG2 ))
      2.200     0.600     0.600 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.10596E-01 ppm1      2.071 ppm2      2.196 CV     1
 OR { 2408}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HG3 ))
 ASSI { 2410}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.68023E-03 ppm1      2.115 ppm2      4.448 CV     1
 ASSI { 2411}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
      4.000     2.000     2.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.42198E-03 ppm1      2.072 ppm2      0.878 CV     1
 OR { 2411}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
 ASSI { 2412}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
      3.700     1.700     1.700 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.48445E-03 ppm1      2.037 ppm2      0.869 CV     1
 OR { 2412}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 72   and name HG2%)
 ASSI { 2429}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      4.800     2.800     1.200 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.55118E-03 ppm1      2.096 ppm2      8.813 CV     1
 ASSI { 2430}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.600     1.600     1.600 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      2.052 ppm2      8.669 CV     1
 ASSI { 2432}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HE2 ))
      3.700     1.700     1.700 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.11865E-02 ppm1      1.825 ppm2      3.047 CV     1
 OR { 2432}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HE3 ))
 OR { 2432}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HE2 ))
 OR { 2432}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HE3 ))
 ASSI { 2434}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
      4.800     2.900     1.200 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.51732E-03 ppm1      1.736 ppm2      4.658 CV     1
 ASSI { 2438}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 69   and name HB3 ))
      4.400     2.400     1.600 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.71306E-03 ppm1      1.697 ppm2      2.056 CV     1
 ASSI { 2441}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
      3.300     1.400     1.400 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.97531E-03 ppm1      1.887 ppm2      0.865 CV     1
 OR { 2441}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 72   and name HG2%)
 ASSI { 2443}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG3 ))
      2.600     0.800     0.800 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.33910E-02 ppm1      1.887 ppm2      1.399 CV     1
 ASSI { 2446}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD2 ))
      3.600     1.700     1.700 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.67284E-03 ppm1      1.618 ppm2      3.086 CV     1
 ASSI { 2447}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD3 ))
      3.800     1.800     1.800 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.65528E-03 ppm1      1.619 ppm2      2.991 CV     1
 ASSI { 2452}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG3 ))
      2.200     0.600     0.600 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.92789E-02 ppm1      1.829 ppm2      1.602 CV     1
 OR { 2452}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI { 2456}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.200     0.200     1.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.12939E+00 ppm1      1.817 ppm2      1.883 CV     1
 ASSI { 2458}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HG2 ))
      2.000     0.500     0.500 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.15564E-01 ppm1      1.891 ppm2      1.497 CV     1
 OR { 2458}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HG3 ))
 ASSI { 2459}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HG3 ))
      2.200     0.600     0.600 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.11756E-01 ppm1      1.815 ppm2      1.501 CV     1
 OR { 2459}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI { 2469}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.69615E-02 ppm1      2.477 ppm2      2.312 CV     1
 OR { 2469}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 2470}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB3 ))
      2.500     0.800     0.800 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.47944E-02 ppm1      2.481 ppm2      2.073 CV     1
 OR { 2470}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI { 2472}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 66   and name HG2 ))
      4.400     2.400     1.600 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.56332E-03 ppm1      2.479 ppm2      1.570 CV     1
 OR { 2472}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR { 2472}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI { 2473}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 65   and name HD2%)
      3.700     1.700     1.700 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.65632E-03 ppm1      2.481 ppm2      0.631 CV     1
 OR { 2473}
   (( segid "    " and resid 69   and name HG3 ))
   (  segid "    " and resid 65   and name HD2%)
 ASSI { 2476}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HG3 ))
      1.900     0.400     0.400 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.88484E-02 ppm1      2.193 ppm2      2.320 CV     1
 ASSI { 2480}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
      4.100     2.100     1.900 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.45396E-03 ppm1      2.400 ppm2      1.830 CV     1
 OR { 2480}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
 ASSI { 2492}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HA  ))
      3.900     1.900     1.900 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.72565E-03 ppm1      2.311 ppm2      5.132 CV     1
 ASSI { 2493}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      4.000     2.000     2.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.80654E-03 ppm1      2.195 ppm2      5.124 CV     1
 ASSI { 2497}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HG2 ))
      1.300     0.200     0.900 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.10732E+00 ppm1      2.504 ppm2      2.559 CV     1
 ASSI { 2499}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.400     2.400     1.600 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.48274E-03 ppm1      2.478 ppm2      8.805 CV     1
 OR { 2499}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2500}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.200     1.200 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.476 ppm2      8.672 CV     1
 OR { 2500}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 2501}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 66   and name HN  ))
      4.400     2.400     1.600 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.63149E-03 ppm1      2.475 ppm2      8.017 CV     1
 OR { 2501}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2502}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HN  ))
      3.800     1.800     1.800 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.14946E-02 ppm1      2.483 ppm2      7.713 CV     1
 OR { 2502}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2503}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HE21))
      2.700     0.900     0.900 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.37181E-02 ppm1      2.480 ppm2      7.555 CV     1
 OR { 2503}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HE21))
 ASSI { 2504}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HE22))
      3.400     1.400     1.400 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.21054E-02 ppm1      2.479 ppm2      7.326 CV     1
 OR { 2504}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HE22))
 ASSI { 2505}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.84521E-03 ppm1      2.315 ppm2      8.640 CV     1
 ASSI { 2506}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.93630E-03 ppm1      2.197 ppm2      8.639 CV     1
 ASSI { 2509}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HE21))
      3.100     1.200     1.200 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.90284E-03 ppm1      2.193 ppm2      7.336 CV     1
 ASSI { 2510}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HE22))
      4.300     2.300     1.700 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.61928E-03 ppm1      2.309 ppm2      6.986 CV     1
 ASSI { 2511}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HE22))
      4.300     2.300     1.700 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.60146E-03 ppm1      2.195 ppm2      6.982 CV     1
 ASSI { 2512}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HE22))
      4.400     2.500     1.600 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.57626E-03 ppm1      2.404 ppm2      6.894 CV     1
 OR { 2512}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HE22))
 ASSI { 2516}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.900     1.900     1.900 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.53578E-03 ppm1      2.926 ppm2      4.966 CV     1
 ASSI { 2517}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.800     1.800     1.800 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.51717E-03 ppm1      2.925 ppm2      3.112 CV     1
 ASSI { 2518}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HG3 ))
      2.200     0.600     0.600 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.33895E-02 ppm1      2.924 ppm2      2.200 CV     1
 ASSI { 2519}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB3 ))
      3.200     1.300     1.300 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.11806E-02 ppm1      2.923 ppm2      1.966 CV     1
 ASSI { 2521}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 42   and name HG2 ))
      3.100     1.200     1.200 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.86766E-03 ppm1      2.924 ppm2      1.574 CV     1
 OR { 2521}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 42   and name HG3 ))
 ASSI { 2523}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HG12))
      2.800     1.000     1.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.24148E-02 ppm1      2.110 ppm2      1.863 CV     1
 ASSI { 2527}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 70   and name HG3 ))
      2.500     2.500     3.500 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.48480E-02 ppm1      1.944 ppm2      2.132 CV     1
 ASSI { 2528}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HG3 ))
      1.800     0.400     0.400 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.18155E-01 ppm1      1.942 ppm2      1.764 CV     1
 OR { 2528}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI { 2532}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 70   and name HG3 ))
      2.600     2.600     3.400 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.43989E-02 ppm1      1.758 ppm2      2.131 CV     1
 ASSI { 2533}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HG2 ))
      1.800     0.400     0.400 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.12916E-01 ppm1      1.758 ppm2      1.940 CV     1
 ASSI { 2535}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
      4.900     3.000     1.100 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.42727E-03 ppm1      2.426 ppm2      4.229 CV     1
 ASSI { 2539}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 16   and name HG2 ))
      4.200     2.200     1.800 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.57836E-03 ppm1      2.432 ppm2      1.351 CV     1
 ASSI { 2540}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 14   and name HE3 ))
      4.200     2.200     1.800 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.45592E-03 ppm1      2.435 ppm2      3.006 CV     1
 OR { 2540}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 14   and name HE2 ))
 ASSI { 2542}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
      4.500     2.500     1.500 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.40779E-03 ppm1      1.708 ppm2      4.158 CV     1
 ASSI { 2550}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HD3 ))
      4.600     2.600     1.400 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.44932E-03 ppm1      2.346 ppm2      4.083 CV     1
 OR { 2550}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 22   and name HD3 ))
 ASSI { 2551}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.400     2.400     1.600 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.57755E-03 ppm1      2.351 ppm2      2.554 CV     1
 OR { 2551}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 2553}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 24   and name HG  ))
      3.100     1.200     1.200 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.30158E-02 ppm1      2.351 ppm2      1.747 CV     1
 OR { 2553}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 24   and name HG  ))
 ASSI { 2554}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 24   and name HD1%)
      3.400     1.400     1.400 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.32750E-02 ppm1      2.350 ppm2      1.112 CV     1
 OR { 2554}
   (( segid "    " and resid 21   and name HG3 ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI { 2555}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 24   and name HD2%)
      3.700     1.700     1.700 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.12370E-02 ppm1      2.350 ppm2      0.986 CV     1
 OR { 2555}
   (( segid "    " and resid 21   and name HG3 ))
   (  segid "    " and resid 24   and name HD2%)
 ASSI { 2556}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 42   and name HE3 ))
      3.300     1.400     1.400 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.46097E-03 ppm1      2.205 ppm2      3.085 CV     1
 OR { 2556}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 42   and name HE2 ))
 ASSI { 2560}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 42   and name HB2 ))
      4.600     2.700     1.400 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.75220E-03 ppm1      2.210 ppm2      2.082 CV     1
 ASSI { 2561}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB3 ))
      3.300     1.400     1.400 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.13701E-02 ppm1      2.196 ppm2      1.947 CV     1
 ASSI { 2563}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 42   and name HG2 ))
      4.100     2.100     1.900 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      2.198 ppm2      1.574 CV     1
 OR { 2563}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 42   and name HG3 ))
 ASSI { 2566}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.26169E-02 ppm1      2.260 ppm2      4.741 CV     1
 OR { 2566}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 2567}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 66   and name HA  ))
      4.100     2.100     1.900 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.13504E-02 ppm1      2.260 ppm2      4.558 CV     1
 OR { 2567}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2568}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      4.300     2.300     1.700 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.47532E-03 ppm1      2.261 ppm2      4.293 CV     1
 OR { 2568}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 2569}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.52322E-02 ppm1      2.260 ppm2      3.650 CV     1
 OR { 2569}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2573}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB3 ))
      1.900     0.500     0.500 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.25156E-01 ppm1      2.260 ppm2      1.999 CV     1
 OR { 2573}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2573}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2573}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
 ASSI { 2575}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 66   and name HG2 ))
      4.300     2.300     1.700 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.64958E-03 ppm1      2.258 ppm2      1.577 CV     1
 OR { 2575}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 66   and name HG3 ))
 OR { 2575}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HG2 ))
 OR { 2575}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HG3 ))
 ASSI { 2582}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HN  ))
      4.200     2.200     1.800 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.87512E-03 ppm1      1.757 ppm2      8.899 CV     1
 ASSI { 2586}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.900     1.900     1.900 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.48103E-03 ppm1      1.762 ppm2      7.794 CV     1
 ASSI { 2588}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.700     1.700 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.16783E-02 ppm1      2.144 ppm2      8.661 CV     1
 ASSI { 2594}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      2.429 ppm2      8.665 CV     1
 ASSI { 2598}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.300     1.300 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.29336E-02 ppm1      2.349 ppm2      7.334 CV     1
 OR { 2598}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 2600}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.100     1.100 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.18161E-02 ppm1      2.350 ppm2      5.340 CV     1
 OR { 2600}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 2601}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HA  ))
      4.300     2.300     1.700 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.55063E-03 ppm1      2.195 ppm2      4.964 CV     1
 ASSI { 2603}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.200     1.200 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.18699E-02 ppm1      2.260 ppm2      9.366 CV     1
 OR { 2603}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 2607}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      2.259 ppm2      8.820 CV     1
 OR { 2607}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2608}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.52642E-03 ppm1      2.259 ppm2      7.400 CV     1
 OR { 2608}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2610}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     1.100     1.100 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.14998E-02 ppm1      1.947 ppm2      8.653 CV     1
 ASSI { 2613}
   (( segid "    " and resid 34   and name HG3 ))
   (( segid "    " and resid 34   and name HN  ))
      4.300     2.300     1.700 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.55503E-03 ppm1      2.254 ppm2      8.695 CV     1
 ASSI { 2616}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
      4.300     2.300     1.700 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.57524E-03 ppm1      2.342 ppm2      8.202 CV     1
 OR { 2616}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 2617}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.200     2.200     1.800 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.48065E-03 ppm1      2.320 ppm2      7.681 CV     1
 ASSI { 2620}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.200     1.200 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.17243E-02 ppm1      2.309 ppm2      7.978 CV     1
 OR { 2620}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 2624}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.100     1.100 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.32203E-02 ppm1      2.312 ppm2      4.293 CV     1
 OR { 2624}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 2627}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.30506E-02 ppm1      2.323 ppm2      3.938 CV     1
 ASSI { 2633}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.800     0.800 peak  2633 spectrum    1 weight  0.11000E+01 volume  0.46136E-02 ppm1      4.363 ppm2      8.373 CV     1
 ASSI { 2635}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.200     1.200 peak  2635 spectrum    1 weight  0.11000E+01 volume  0.13441E-02 ppm1      1.546 ppm2      4.728 CV     1
 ASSI { 2638}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.500     1.500 peak  2638 spectrum    1 weight  0.11000E+01 volume  0.10401E-02 ppm1      2.432 ppm2      4.913 CV     1
 ASSI { 2639}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak  2639 spectrum    1 weight  0.11000E+01 volume  0.14415E-02 ppm1      3.306 ppm2      4.910 CV     1
 ASSI { 2640}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.300     0.700     0.700 peak  2640 spectrum    1 weight  0.11000E+01 volume  0.31629E-02 ppm1      3.309 ppm2      2.445 CV     1
 ASSI { 2651}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 15   and name HA2 ))
      2.100     0.500     0.500 peak  2651 spectrum    1 weight  0.11000E+01 volume  0.56117E-02 ppm1      5.014 ppm2      3.162 CV     1
 ASSI { 2657}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.400     1.400 peak  2657 spectrum    1 weight  0.11000E+01 volume  0.15319E-02 ppm1      3.161 ppm2      5.270 CV     1
 ASSI { 2660}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      3.600     1.600     1.600 peak  2660 spectrum    1 weight  0.11000E+01 volume  0.15640E-02 ppm1      5.260 ppm2      8.622 CV     1
 ASSI { 2662}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak  2662 spectrum    1 weight  0.11000E+01 volume  0.13524E-02 ppm1      2.387 ppm2      9.228 CV     1
 ASSI { 2664}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.100     1.100 peak  2664 spectrum    1 weight  0.11000E+01 volume  0.73270E-02 ppm1      0.773 ppm2      9.223 CV     1
 ASSI { 2666}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak  2666 spectrum    1 weight  0.11000E+01 volume  0.23476E-02 ppm1      4.522 ppm2      9.224 CV     1
 ASSI { 2672}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.800     0.800 peak  2672 spectrum    1 weight  0.11000E+01 volume  0.28525E-02 ppm1      4.272 ppm2      5.006 CV     1
 ASSI { 2674}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      3.300     1.300     1.300 peak  2674 spectrum    1 weight  0.11000E+01 volume  0.95068E-03 ppm1      1.831 ppm2      4.276 CV     1
 ASSI { 2677}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 61   and name HG2%)
      1.900     0.500     0.500 peak  2677 spectrum    1 weight  0.11000E+01 volume  0.16739E-01 ppm1      0.707 ppm2      0.884 CV     1
 ASSI { 2679}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      4.100     2.100     1.900 peak  2679 spectrum    1 weight  0.11000E+01 volume  0.48183E-03 ppm1      4.203 ppm2      5.342 CV     1
 ASSI { 2680}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.900     0.900 peak  2680 spectrum    1 weight  0.11000E+01 volume  0.63680E-02 ppm1      4.203 ppm2      2.555 CV     1
 ASSI { 2681}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.600     0.800     0.800 peak  2681 spectrum    1 weight  0.11000E+01 volume  0.28895E-02 ppm1      4.204 ppm2      2.192 CV     1
 ASSI { 2682}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.600     1.700     1.700 peak  2682 spectrum    1 weight  0.11000E+01 volume  0.19168E-02 ppm1      4.205 ppm2      2.339 CV     1
 ASSI { 2683}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG3 ))
      3.300     1.400     1.400 peak  2683 spectrum    1 weight  0.11000E+01 volume  0.18719E-02 ppm1      4.204 ppm2      1.893 CV     1
 ASSI { 2685}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.500     1.500 peak  2685 spectrum    1 weight  0.11000E+01 volume  0.11223E-02 ppm1      4.206 ppm2      7.316 CV     1
 ASSI { 2688}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      1.800     0.400     0.400 peak  2688 spectrum    1 weight  0.11000E+01 volume  0.11634E-01 ppm1      2.192 ppm2      2.552 CV     1
 ASSI { 2689}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.500     1.600     1.600 peak  2689 spectrum    1 weight  0.11000E+01 volume  0.10826E-02 ppm1      2.552 ppm2      3.898 CV     1
 ASSI { 2690}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG3 ))
      3.000     1.100     1.100 peak  2690 spectrum    1 weight  0.11000E+01 volume  0.35234E-02 ppm1      2.553 ppm2      1.892 CV     1
 ASSI { 2695}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 22   and name HD2 ))
      1.800     0.400     0.400 peak  2695 spectrum    1 weight  0.11000E+01 volume  0.10937E-01 ppm1      4.108 ppm2      3.905 CV     1
 ASSI { 2697}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.500     0.800     0.800 peak  2697 spectrum    1 weight  0.11000E+01 volume  0.26176E-02 ppm1      3.903 ppm2      2.343 CV     1
 ASSI { 2698}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 22   and name HG2 ))
      3.000     1.100     1.100 peak  2698 spectrum    1 weight  0.11000E+01 volume  0.29803E-02 ppm1      4.108 ppm2      2.345 CV     1
 ASSI { 2699}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG3 ))
      3.100     1.200     1.200 peak  2699 spectrum    1 weight  0.11000E+01 volume  0.29045E-02 ppm1      3.903 ppm2      1.885 CV     1
 ASSI { 2700}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 22   and name HG3 ))
      2.500     0.800     0.800 peak  2700 spectrum    1 weight  0.11000E+01 volume  0.23601E-02 ppm1      4.107 ppm2      1.881 CV     1
 ASSI { 2707}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HG2 ))
      1.800     0.400     0.400 peak  2707 spectrum    1 weight  0.11000E+01 volume  0.94424E-02 ppm1      1.888 ppm2      2.340 CV     1
 ASSI { 2709}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak  2709 spectrum    1 weight  0.11000E+01 volume  0.71614E-02 ppm1      4.368 ppm2      4.054 CV     1
 OR { 2709}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI { 2711}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.400     1.400 peak  2711 spectrum    1 weight  0.11000E+01 volume  0.10312E-02 ppm1      1.711 ppm2      4.649 CV     1
 ASSI { 2712}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak  2712 spectrum    1 weight  0.11000E+01 volume  0.11322E-02 ppm1      1.858 ppm2      4.648 CV     1
 ASSI { 2714}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 24   and name HD1%)
      2.800     1.000     1.000 peak  2714 spectrum    1 weight  0.11000E+01 volume  0.16095E-02 ppm1      1.717 ppm2      1.111 CV     1
 ASSI { 2715}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 24   and name HD1%)
      3.700     1.700     1.700 peak  2715 spectrum    1 weight  0.11000E+01 volume  0.16085E-02 ppm1      1.862 ppm2      1.111 CV     1
 ASSI { 2716}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 24   and name HD2%)
      3.300     1.300     1.300 peak  2716 spectrum    1 weight  0.11000E+01 volume  0.13566E-02 ppm1      1.716 ppm2      0.980 CV     1
 ASSI { 2720}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
      4.000     2.000     2.000 peak  2720 spectrum    1 weight  0.11000E+01 volume  0.92015E-03 ppm1      1.111 ppm2      4.652 CV     1
 ASSI { 2721}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  2721 spectrum    1 weight  0.11000E+01 volume  0.28716E-02 ppm1      1.109 ppm2      7.319 CV     1
 ASSI { 2722}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak  2722 spectrum    1 weight  0.11000E+01 volume  0.92878E-02 ppm1      0.969 ppm2      4.660 CV     1
 ASSI { 2723}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HB3 ))
      2.400     0.700     0.700 peak  2723 spectrum    1 weight  0.11000E+01 volume  0.51346E-02 ppm1      0.972 ppm2      1.856 CV     1
 ASSI { 2724}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak  2724 spectrum    1 weight  0.11000E+01 volume  0.20182E-02 ppm1      0.970 ppm2      7.295 CV     1
 ASSI { 2725}
   (( segid "    " and resid 24   and name HG  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  2725 spectrum    1 weight  0.11000E+01 volume  0.11772E-02 ppm1      1.765 ppm2      7.308 CV     1
 ASSI { 2727}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 26   and name HB% )
      4.000     2.000     2.000 peak  2727 spectrum    1 weight  0.11000E+01 volume  0.70231E-03 ppm1      3.790 ppm2      0.578 CV     1
 ASSI { 2730}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak  2730 spectrum    1 weight  0.11000E+01 volume  0.52480E-02 ppm1      0.573 ppm2      4.651 CV     1
 ASSI { 2732}
   (  segid "    " and resid 26   and name HB% )
   (  segid "    " and resid 38   and name HD% )
      3.500     1.500     1.500 peak  2732 spectrum    1 weight  0.11000E+01 volume  0.86780E-03 ppm1      0.568 ppm2      6.860 CV     1
 ASSI { 2733}
   (  segid "    " and resid 26   and name HB% )
   (  segid "    " and resid 38   and name HE% )
      2.900     1.000     1.000 peak  2733 spectrum    1 weight  0.11000E+01 volume  0.23639E-02 ppm1      0.565 ppm2      7.176 CV     1
 ASSI { 2734}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.400     1.400 peak  2734 spectrum    1 weight  0.11000E+01 volume  0.86314E-03 ppm1      0.572 ppm2      8.885 CV     1
 ASSI { 2735}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak  2735 spectrum    1 weight  0.11000E+01 volume  0.39645E-02 ppm1      0.573 ppm2      4.428 CV     1
 ASSI { 2741}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      3.400     1.500     1.500 peak  2741 spectrum    1 weight  0.11000E+01 volume  0.70519E-03 ppm1      5.614 ppm2      7.122 CV     1
 ASSI { 2743}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak  2743 spectrum    1 weight  0.11000E+01 volume  0.20469E-02 ppm1      5.610 ppm2      4.627 CV     1
 ASSI { 2744}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     1.600     1.600 peak  2744 spectrum    1 weight  0.11000E+01 volume  0.97613E-03 ppm1      5.610 ppm2      8.880 CV     1
 ASSI { 2745}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.500     1.600     1.600 peak  2745 spectrum    1 weight  0.11000E+01 volume  0.79388E-03 ppm1      2.937 ppm2      5.601 CV     1
 ASSI { 2747}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 28   and name HD% )
      3.400     1.400     1.400 peak  2747 spectrum    1 weight  0.11000E+01 volume  0.66769E-03 ppm1      2.933 ppm2      7.123 CV     1
 ASSI { 2749}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  2749 spectrum    1 weight  0.11000E+01 volume  0.12684E-02 ppm1      2.997 ppm2      8.978 CV     1
 ASSI { 2750}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.900     1.900     1.900 peak  2750 spectrum    1 weight  0.11000E+01 volume  0.12305E-02 ppm1      2.933 ppm2      8.987 CV     1
 ASSI { 2753}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.900     1.100     1.100 peak  2753 spectrum    1 weight  0.11000E+01 volume  0.15581E-02 ppm1      5.081 ppm2      2.137 CV     1
 ASSI { 2754}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.400     1.400     1.400 peak  2754 spectrum    1 weight  0.11000E+01 volume  0.12308E-02 ppm1      5.077 ppm2      2.766 CV     1
 ASSI { 2758}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
      2.100     0.600     0.600 peak  2758 spectrum    1 weight  0.11000E+01 volume  0.48083E-02 ppm1      2.772 ppm2      2.140 CV     1
 ASSI { 2760}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak  2760 spectrum    1 weight  0.11000E+01 volume  0.71716E-03 ppm1      5.275 ppm2      8.118 CV     1
 ASSI { 2761}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak  2761 spectrum    1 weight  0.11000E+01 volume  0.41851E-02 ppm1      5.277 ppm2      3.149 CV     1
 ASSI { 2762}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.600     0.900     0.900 peak  2762 spectrum    1 weight  0.11000E+01 volume  0.34478E-02 ppm1      5.277 ppm2      2.170 CV     1
 ASSI { 2773}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      4.100     2.100     1.900 peak  2773 spectrum    1 weight  0.11000E+01 volume  0.66095E-03 ppm1      4.478 ppm2      3.933 CV     1
 ASSI { 2776}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.300     0.700     0.700 peak  2776 spectrum    1 weight  0.11000E+01 volume  0.90660E-02 ppm1      3.933 ppm2      2.038 CV     1
 OR { 2776}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 2782}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.800     1.000     1.000 peak  2782 spectrum    1 weight  0.11000E+01 volume  0.18707E-02 ppm1      5.091 ppm2      3.333 CV     1
 ASSI { 2786}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.100     0.600     0.600 peak  2786 spectrum    1 weight  0.11000E+01 volume  0.48992E-02 ppm1      3.330 ppm2      3.114 CV     1
 ASSI { 2789}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 37   and name HA2 ))
      2.200     0.600     0.600 peak  2789 spectrum    1 weight  0.11000E+01 volume  0.36608E-02 ppm1      5.143 ppm2      3.624 CV     1
 ASSI { 2792}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.700     1.700 peak  2792 spectrum    1 weight  0.11000E+01 volume  0.68143E-03 ppm1      5.144 ppm2      9.792 CV     1
 ASSI { 2798}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     1.400     1.400 peak  2798 spectrum    1 weight  0.11000E+01 volume  0.55521E-03 ppm1      0.644 ppm2      4.984 CV     1
 ASSI { 2799}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HA  ))
      3.600     1.600     1.600 peak  2799 spectrum    1 weight  0.11000E+01 volume  0.60291E-03 ppm1      1.679 ppm2      4.982 CV     1
 ASSI { 2800}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HB3 ))
      2.900     1.000     1.000 peak  2800 spectrum    1 weight  0.11000E+01 volume  0.20898E-02 ppm1      0.315 ppm2      1.691 CV     1
 ASSI { 2803}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 38   and name HE% )
      3.200     3.200     2.800 peak  2803 spectrum    1 weight  0.11000E+01 volume  0.53501E-03 ppm1      2.567 ppm2      7.181 CV     1
 ASSI { 2804}
   (( segid "    " and resid 40   and name HG3 ))
   (  segid "    " and resid 38   and name HE% )
      2.900     2.900     3.100 peak  2804 spectrum    1 weight  0.11000E+01 volume  0.10746E-02 ppm1      2.180 ppm2      7.181 CV     1
 ASSI { 2810}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 49   and name HD% )
      3.000     3.000     3.000 peak  2810 spectrum    1 weight  0.11000E+01 volume  0.15622E-02 ppm1      0.827 ppm2      6.964 CV     1
 ASSI { 2811}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 49   and name HE% )
      2.700     2.700     3.300 peak  2811 spectrum    1 weight  0.11000E+01 volume  0.20197E-02 ppm1      0.831 ppm2      7.066 CV     1
 ASSI { 2813}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 49   and name HE% )
      4.000     2.000     2.000 peak  2813 spectrum    1 weight  0.11000E+01 volume  0.28692E-03 ppm1      4.107 ppm2      7.070 CV     1
 ASSI { 2822}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     1.500     1.500 peak  2822 spectrum    1 weight  0.11000E+01 volume  0.65489E-03 ppm1      3.380 ppm2      7.791 CV     1
 ASSI { 2824}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HE% )
      3.300     1.400     1.400 peak  2824 spectrum    1 weight  0.11000E+01 volume  0.77458E-03 ppm1      3.380 ppm2      7.076 CV     1
 ASSI { 2825}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak  2825 spectrum    1 weight  0.11000E+01 volume  0.79539E-03 ppm1      3.378 ppm2      7.910 CV     1
 ASSI { 2826}
   (( segid "    " and resid 46   and name HD2 ))
   (  segid "    " and resid 49   and name HD% )
      4.500     2.500     1.500 peak  2826 spectrum    1 weight  0.11000E+01 volume  0.21420E-03 ppm1      2.971 ppm2      6.957 CV     1
 OR { 2826}
   (( segid "    " and resid 46   and name HD3 ))
   (  segid "    " and resid 49   and name HD% )
 ASSI { 2827}
   (( segid "    " and resid 46   and name HD2 ))
   (  segid "    " and resid 49   and name HE% )
      4.000     2.000     2.000 peak  2827 spectrum    1 weight  0.11000E+01 volume  0.33599E-03 ppm1      2.971 ppm2      7.088 CV     1
 OR { 2827}
   (( segid "    " and resid 46   and name HD3 ))
   (  segid "    " and resid 49   and name HE% )
 ASSI { 2828}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 49   and name HZ  ))
      4.400     2.400     1.600 peak  2828 spectrum    1 weight  0.11000E+01 volume  0.27636E-03 ppm1      2.977 ppm2      7.237 CV     1
 OR { 2828}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 49   and name HZ  ))
 ASSI { 2829}
   (( segid "    " and resid 46   and name HG3 ))
   (  segid "    " and resid 49   and name HD% )
      4.100     2.100     1.900 peak  2829 spectrum    1 weight  0.11000E+01 volume  0.28667E-03 ppm1      1.568 ppm2      6.957 CV     1
 OR { 2829}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 49   and name HD% )
 ASSI { 2830}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      3.700     1.700     1.700 peak  2830 spectrum    1 weight  0.11000E+01 volume  0.15899E-02 ppm1      4.078 ppm2      1.937 CV     1
 ASSI { 2838}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
      3.400     1.400     1.400 peak  2838 spectrum    1 weight  0.11000E+01 volume  0.71217E-03 ppm1      3.377 ppm2      6.954 CV     1
 ASSI { 2840}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak  2840 spectrum    1 weight  0.11000E+01 volume  0.99126E-03 ppm1      4.570 ppm2      8.528 CV     1
 ASSI { 2842}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HG2 ))
      2.900     1.000     1.000 peak  2842 spectrum    1 weight  0.11000E+01 volume  0.19289E-02 ppm1      4.168 ppm2      2.194 CV     1
 OR { 2842}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HG3 ))
 ASSI { 2843}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.500     1.500 peak  2843 spectrum    1 weight  0.11000E+01 volume  0.10441E-02 ppm1      2.200 ppm2      4.571 CV     1
 OR { 2843}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2850}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 51   and name HA  ))
      2.200     0.600     0.600 peak  2850 spectrum    1 weight  0.11000E+01 volume  0.10386E-01 ppm1      1.467 ppm2      4.217 CV     1
 ASSI { 2852}
   (  segid "    " and resid 51   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.400     1.400 peak  2852 spectrum    1 weight  0.11000E+01 volume  0.11734E-02 ppm1      1.465 ppm2      8.526 CV     1
 ASSI { 2853}
   (  segid "    " and resid 51   and name HB% )
   (  segid "    " and resid 55   and name HB% )
      2.300     2.300     3.700 peak  2853 spectrum    1 weight  0.11000E+01 volume  0.22926E-01 ppm1      1.465 ppm2      1.283 CV     1
 ASSI { 2855}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak  2855 spectrum    1 weight  0.11000E+01 volume  0.31846E-02 ppm1      4.428 ppm2      3.037 CV     1
 ASSI { 2856}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      3.000     1.200     1.200 peak  2856 spectrum    1 weight  0.11000E+01 volume  0.28933E-02 ppm1      4.427 ppm2      3.207 CV     1
 ASSI { 2859}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 49   and name HD% )
      4.500     2.500     1.500 peak  2859 spectrum    1 weight  0.11000E+01 volume  0.70970E-03 ppm1      3.035 ppm2      6.965 CV     1
 ASSI { 2860}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
      3.600     3.600     2.400 peak  2860 spectrum    1 weight  0.11000E+01 volume  0.39490E-03 ppm1      3.208 ppm2      6.973 CV     1
 ASSI { 2870}
   (  segid "    " and resid 55   and name HB% )
   (  segid "    " and resid 53   and name HE% )
      3.200     3.200     2.800 peak  2870 spectrum    1 weight  0.11000E+01 volume  0.22266E-02 ppm1      1.283 ppm2      6.738 CV     1
 ASSI { 2872}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD2 ))
      3.500     1.500     1.500 peak  2872 spectrum    1 weight  0.11000E+01 volume  0.81749E-03 ppm1      3.069 ppm2      7.098 CV     1
 ASSI { 2873}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HD2 ))
      3.700     1.700     1.700 peak  2873 spectrum    1 weight  0.11000E+01 volume  0.90229E-03 ppm1      3.200 ppm2      7.108 CV     1
 ASSI { 2874}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      4.400     2.400     1.600 peak  2874 spectrum    1 weight  0.11000E+01 volume  0.44880E-03 ppm1      4.038 ppm2      8.199 CV     1
 ASSI { 2875}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.100     3.100     2.900 peak  2875 spectrum    1 weight  0.11000E+01 volume  0.60486E-03 ppm1      3.928 ppm2      8.163 CV     1
 ASSI { 2876}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  2876 spectrum    1 weight  0.11000E+01 volume  0.10266E-02 ppm1      4.013 ppm2      8.391 CV     1
 ASSI { 2877}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.100     2.100     1.900 peak  2877 spectrum    1 weight  0.11000E+01 volume  0.94794E-03 ppm1      3.932 ppm2      8.403 CV     1
 ASSI { 2879}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.100     0.500     0.500 peak  2879 spectrum    1 weight  0.11000E+01 volume  0.71313E-02 ppm1      3.853 ppm2      4.649 CV     1
 ASSI { 2880}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  2880 spectrum    1 weight  0.11000E+01 volume  0.79388E-02 ppm1      3.668 ppm2      4.648 CV     1
 ASSI { 2881}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.300     2.300     1.700 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.13033E-02 ppm1      2.001 ppm2      4.644 CV     1
 OR { 2881}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2882}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak  2882 spectrum    1 weight  0.11000E+01 volume  0.17483E-02 ppm1      1.999 ppm2      4.538 CV     1
 OR { 2882}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 2890}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  2890 spectrum    1 weight  0.11000E+01 volume  0.89853E-03 ppm1      3.791 ppm2      7.176 CV     1
 ASSI { 2894}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.500     1.500     1.500 peak  2894 spectrum    1 weight  0.11000E+01 volume  0.82564E-03 ppm1      4.176 ppm2      7.171 CV     1
 ASSI { 2895}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.000     1.000 peak  2895 spectrum    1 weight  0.11000E+01 volume  0.21336E-02 ppm1      3.844 ppm2      7.170 CV     1
 ASSI { 2898}
   (  segid "    " and resid 64   and name HG1%)
   (  segid "    " and resid 53   and name HE% )
      3.200     3.200     2.800 peak  2898 spectrum    1 weight  0.11000E+01 volume  0.53585E-03 ppm1      0.109 ppm2      6.740 CV     1
 ASSI { 2901}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 59   and name HG2 ))
      2.800     1.000     1.000 peak  2901 spectrum    1 weight  0.11000E+01 volume  0.12991E-02 ppm1      0.362 ppm2      2.000 CV     1
 OR { 2901}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2903}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.900     1.100     1.100 peak  2903 spectrum    1 weight  0.11000E+01 volume  0.11689E-02 ppm1      5.119 ppm2      1.189 CV     1
 ASSI { 2905}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.500     1.500     1.500 peak  2905 spectrum    1 weight  0.11000E+01 volume  0.90044E-03 ppm1      1.373 ppm2      5.115 CV     1
 ASSI { 2907}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 69   and name HE21))
      3.200     1.200     1.200 peak  2907 spectrum    1 weight  0.11000E+01 volume  0.93411E-03 ppm1      0.622 ppm2      7.552 CV     1
 ASSI { 2908}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 69   and name HE22))
      3.100     1.200     1.200 peak  2908 spectrum    1 weight  0.11000E+01 volume  0.16696E-02 ppm1      0.622 ppm2      7.319 CV     1
 ASSI { 2912}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  2912 spectrum    1 weight  0.11000E+01 volume  0.36669E-02 ppm1      3.597 ppm2      9.228 CV     1
 ASSI { 2914}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.400     1.500     1.500 peak  2914 spectrum    1 weight  0.11000E+01 volume  0.10863E-02 ppm1      3.594 ppm2      7.716 CV     1
 ASSI { 2917}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak  2917 spectrum    1 weight  0.11000E+01 volume  0.10354E-02 ppm1      5.231 ppm2      8.818 CV     1
 ASSI { 2920}
   (  segid "    " and resid 71   and name HG1%)
   (  segid "    " and resid 48   and name HD% )
      2.900     1.000     1.000 peak  2920 spectrum    1 weight  0.11000E+01 volume  0.20630E-02 ppm1      0.315 ppm2      7.307 CV     1
 ASSI { 2929}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak  2929 spectrum    1 weight  0.11000E+01 volume  0.28248E-02 ppm1      0.587 ppm2      2.438 CV     1
 ASSI { 2930}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 13   and name HB3 ))
      3.300     1.400     1.400 peak  2930 spectrum    1 weight  0.11000E+01 volume  0.16848E-02 ppm1      0.588 ppm2      3.304 CV     1
 ASSI { 2933}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      4.000     2.000     2.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.92617E-03 ppm1      3.947 ppm2      4.530 CV     1
 ASSI { 2934}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     3.000     3.000 peak  2934 spectrum    1 weight  0.11000E+01 volume  0.78239E-03 ppm1      3.942 ppm2      1.955 CV     1
 OR { 2934}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI { 2938}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak  2938 spectrum    1 weight  0.11000E+01 volume  0.10354E-02 ppm1      3.943 ppm2      5.165 CV     1
 ASSI { 2940}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.200     1.200 peak  2940 spectrum    1 weight  0.11000E+01 volume  0.26995E-02 ppm1      0.844 ppm2      9.260 CV     1
 ASSI { 2955}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 37   and name HA2 ))
      3.200     1.200     1.200 peak  2955 spectrum    1 weight  0.11000E+01 volume  0.12662E-02 ppm1      0.542 ppm2      3.617 CV     1
 ASSI { 2956}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 37   and name HA1 ))
      3.400     1.400     1.400 peak  2956 spectrum    1 weight  0.11000E+01 volume  0.22071E-02 ppm1      0.543 ppm2      5.130 CV     1
 ASSI { 2958}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 37   and name HA2 ))
      3.500     1.500     1.500 peak  2958 spectrum    1 weight  0.11000E+01 volume  0.47367E-03 ppm1      0.182 ppm2      3.618 CV     1
 ASSI { 2959}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak  2959 spectrum    1 weight  0.11000E+01 volume  0.44634E-03 ppm1      0.181 ppm2      9.131 CV     1
 ASSI { 2962}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak  2962 spectrum    1 weight  0.11000E+01 volume  0.11529E-02 ppm1      1.139 ppm2      8.646 CV     1
 ASSI { 2963}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      3.700     1.700     1.700 peak  2963 spectrum    1 weight  0.11000E+01 volume  0.88874E-03 ppm1      1.138 ppm2      4.935 CV     1
 ASSI { 2965}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 90   and name HN  ))
      3.000     1.100     1.100 peak  2965 spectrum    1 weight  0.11000E+01 volume  0.17315E-02 ppm1      1.143 ppm2      9.027 CV     1
 ASSI { 2966}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak  2966 spectrum    1 weight  0.11000E+01 volume  0.15748E-02 ppm1      5.178 ppm2      5.316 CV     1
 ASSI { 2967}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 89   and name HG2%)
      2.900     1.000     1.000 peak  2967 spectrum    1 weight  0.11000E+01 volume  0.21013E-02 ppm1      5.176 ppm2      0.978 CV     1
 ASSI { 2972}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 90   and name HN  ))
      3.100     1.200     1.200 peak  2972 spectrum    1 weight  0.11000E+01 volume  0.63285E-03 ppm1      0.969 ppm2      9.028 CV     1
 ASSI { 2979}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.14228E-02 ppm1      0.703 ppm2      8.655 CV     1
 ASSI { 2980}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak  2980 spectrum    1 weight  0.11000E+01 volume  0.17747E-02 ppm1      0.704 ppm2      5.321 CV     1
 ASSI { 2981}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 89   and name HA  ))
      2.900     1.100     1.100 peak  2981 spectrum    1 weight  0.11000E+01 volume  0.17349E-02 ppm1      0.704 ppm2      5.169 CV     1
 ASSI { 2982}
   (  segid "    " and resid 91   and name HD1%)
   (  segid "    " and resid 91   and name HG2%)
      2.200     0.600     0.600 peak  2982 spectrum    1 weight  0.11000E+01 volume  0.31668E-01 ppm1      0.705 ppm2      0.856 CV     1
 ASSI { 2983}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  2983 spectrum    1 weight  0.11000E+01 volume  0.14501E-02 ppm1      0.703 ppm2      9.051 CV     1
 ASSI { 2985}
   (  segid "    " and resid 93   and name HD1%)
   (  segid "    " and resid 48   and name HD% )
      4.000     2.000     2.000 peak  2985 spectrum    1 weight  0.11000E+01 volume  0.68162E-03 ppm1      0.937 ppm2      7.307 CV     1
 ASSI {    6}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 33   and name HN  ))
      3.400     3.400     2.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.22309E-02 ppm1      6.378 ppm2      6.831 CV     1
 ASSI {    7}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 13   and name HD% )
      3.400     3.400     2.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.91338E-03 ppm1      6.384 ppm2      7.106 CV     1
 ASSI {   10}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 31   and name HB2 ))
      4.300     2.300     1.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.68760E-03 ppm1      6.380 ppm2      3.135 CV     1
 ASSI {   11}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 31   and name HB3 ))
      4.500     2.500     1.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.55988E-03 ppm1      6.384 ppm2      2.180 CV     1
 ASSI {   18}
   (( segid "    " and resid 36   and name HE1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.26524E-03 ppm1      7.847 ppm2      8.959 CV     1
 ASSI {   21}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 29   and name HB  ))
      3.500     1.600     1.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.72805E-03 ppm1      6.560 ppm2      1.677 CV     1
 ASSI {   23}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 13   and name HB2 ))
      3.700     3.700     2.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.70608E-03 ppm1      6.572 ppm2      2.413 CV     1
 ASSI {   24}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 37   and name HA2 ))
      3.000     1.100     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.15173E-02 ppm1      6.381 ppm2      3.621 CV     1
 ASSI {   27}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 30   and name HA  ))
      3.700     1.700     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.14935E-02 ppm1      6.565 ppm2      5.074 CV     1
 ASSI {   31}
   (( segid "    " and resid 49   and name HZ  ))
   (( segid "    " and resid 59   and name HG3 ))
      3.600     1.600     1.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.84117E-03 ppm1      7.244 ppm2      2.006 CV     1
 OR {   31}
   (( segid "    " and resid 49   and name HZ  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {   32}
   (( segid "    " and resid 49   and name HZ  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.500     1.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.76966E-03 ppm1      7.240 ppm2      1.785 CV     1
 ASSI {   36}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
      4.200     2.200     1.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.51906E-03 ppm1      6.850 ppm2      8.897 CV     1
 ASSI {   42}
   (( segid "    " and resid 36   and name HE1 ))
   (( segid "    " and resid 18   and name HB  ))
      3.200     1.200     1.200 peak    42 spectrum    1 weight  0.10000E+01 volume  0.12331E-02 ppm1      7.845 ppm2      4.212 CV     1
 ASSI {   43}
   (( segid "    " and resid 36   and name HE1 ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.800     1.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.49587E-03 ppm1      7.845 ppm2      2.128 CV     1
 ASSI {   56}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HB3 ))
      2.700     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.22897E-02 ppm1      7.115 ppm2      2.979 CV     1
 ASSI {   57}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 38   and name HA  ))
      3.200     3.200     2.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.51906E-03 ppm1      7.165 ppm2      4.602 CV     1
 ASSI {   58}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 38   and name HB2 ))
      4.300     2.300     1.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.73646E-03 ppm1      7.169 ppm2      2.826 CV     1
 ASSI {   60}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 47   and name HB2 ))
      3.800     1.800     1.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.45932E-03 ppm1      7.301 ppm2      1.777 CV     1
 OR {   60}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 47   and name HB3 ))
 OR {   60}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {   63}
   (  segid "    " and resid 48   and name HD% )
   (  segid "    " and resid 44   and name HG2%)
      2.900     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.14505E-02 ppm1      7.302 ppm2      0.837 CV     1
 ASSI {   66}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 47   and name HG2 ))
      4.300     2.300     1.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.42948E-03 ppm1      7.298 ppm2      1.937 CV     1
 ASSI {   68}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak    68 spectrum    1 weight  0.10000E+01 volume  0.94315E-03 ppm1      7.303 ppm2      7.831 CV     1
 ASSI {   72}
   (  segid "    " and resid 90   and name HD% )
   (( segid "    " and resid 90   and name HB2 ))
      2.800     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.25566E-02 ppm1      7.362 ppm2      3.075 CV     1
 OR {   72}
   (  segid "    " and resid 90   and name HD% )
   (( segid "    " and resid 90   and name HB3 ))
 ASSI {   80}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak    80 spectrum    1 weight  0.10000E+01 volume  0.86793E-03 ppm1      6.723 ppm2      4.183 CV     1
 ASSI {   81}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 54   and name HB2 ))
      4.100     2.100     1.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.52767E-03 ppm1      6.725 ppm2      3.685 CV     1
 ASSI {   82}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 49   and name HB3 ))
      4.100     2.100     1.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.49099E-03 ppm1      6.724 ppm2      3.397 CV     1
 ASSI {   83}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 53   and name HB3 ))
      4.400     2.400     1.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.75029E-03 ppm1      6.721 ppm2      3.195 CV     1
 ASSI {   84}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 53   and name HB2 ))
      4.000     2.000     2.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.11294E-02 ppm1      6.726 ppm2      3.017 CV     1
 ASSI {   85}
   (  segid "    " and resid 53   and name HE% )
   (( segid "    " and resid 49   and name HB2 ))
      3.000     3.000     3.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.27318E-02 ppm1      6.723 ppm2      2.839 CV     1
 ASSI {   94}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 47   and name HB2 ))
      3.600     1.600     1.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.82892E-03 ppm1      7.012 ppm2      1.750 CV     1
 OR {   94}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 47   and name HG3 ))
 OR {   94}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {   98}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      3.500     1.500     1.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.58706E-03 ppm1      7.008 ppm2      7.832 CV     1
 ASSI {  101}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 75   and name HG13))
      3.100     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.19308E-02 ppm1      6.874 ppm2      1.521 CV     1
 ASSI {  102}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.600     1.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.66501E-03 ppm1      7.113 ppm2      5.003 CV     1
 ASSI {  105}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 11   and name HB3 ))
      3.400     1.400     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.98510E-03 ppm1      6.874 ppm2      2.817 CV     1
 ASSI {  112}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 19   and name HD3 ))
      2.800     2.800     3.200 peak   112 spectrum    1 weight  0.10000E+01 volume  0.11347E-02 ppm1      7.237 ppm2      3.073 CV     1
 ASSI {  114}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.47385E-03 ppm1      6.874 ppm2      8.619 CV     1
 ASSI {  116}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 13   and name HE% )
      2.000     0.500     0.500 peak   116 spectrum    1 weight  0.10000E+01 volume  0.18245E-01 ppm1      7.086 ppm2      6.869 CV     1
 ASSI {  119}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 44   and name HB  ))
      4.100     2.100     1.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.66784E-03 ppm1      7.070 ppm2      2.121 CV     1
 ASSI {  120}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 49   and name HB2 ))
      4.200     2.200     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.71888E-03 ppm1      7.068 ppm2      2.817 CV     1
 ASSI {  124}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 59   and name HB3 ))
      3.300     1.300     1.300 peak   124 spectrum    1 weight  0.10000E+01 volume  0.68409E-03 ppm1      7.074 ppm2      1.744 CV     1
 ASSI {  130}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 64   and name HG2%)
      4.000     2.000     2.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.63936E-03 ppm1      7.066 ppm2      0.356 CV     1
 ASSI {  133}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.13946E-02 ppm1      6.939 ppm2      2.811 CV     1
 ASSI {  137}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      2.800     2.800     3.200 peak   137 spectrum    1 weight  0.11000E+01 volume  0.27072E-02 ppm1      7.086 ppm2      4.897 CV     1
 ASSI {  138}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak   138 spectrum    1 weight  0.11000E+01 volume  0.40526E-02 ppm1      7.087 ppm2      2.432 CV     1
 ASSI {  139}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB3 ))
      2.700     0.900     0.900 peak   139 spectrum    1 weight  0.11000E+01 volume  0.42690E-02 ppm1      7.087 ppm2      3.285 CV     1
 ASSI {  141}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 31   and name HD% )
      3.100     3.100     2.900 peak   141 spectrum    1 weight  0.11000E+01 volume  0.14510E-02 ppm1      7.093 ppm2      6.575 CV     1
 ASSI {  143}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   143 spectrum    1 weight  0.11000E+01 volume  0.11257E-02 ppm1      7.086 ppm2      5.119 CV     1
 ASSI {  144}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 74   and name HB2 ))
      3.700     3.700     2.300 peak   144 spectrum    1 weight  0.11000E+01 volume  0.10339E-02 ppm1      7.088 ppm2      1.958 CV     1
 OR {  144}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  145}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 75   and name HD1%)
      3.100     1.200     1.200 peak   145 spectrum    1 weight  0.11000E+01 volume  0.18703E-02 ppm1      7.086 ppm2      0.797 CV     1
 ASSI {  147}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HB2 ))
      4.300     2.300     1.700 peak   147 spectrum    1 weight  0.11000E+01 volume  0.75501E-03 ppm1      6.874 ppm2      2.426 CV     1
 ASSI {  148}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HB3 ))
      3.000     3.000     3.000 peak   148 spectrum    1 weight  0.11000E+01 volume  0.75125E-03 ppm1      6.873 ppm2      3.269 CV     1
 ASSI {  150}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 31   and name HB3 ))
      3.300     3.300     2.700 peak   150 spectrum    1 weight  0.11000E+01 volume  0.49050E-03 ppm1      6.871 ppm2      2.168 CV     1
 ASSI {  153}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 19   and name HB3 ))
      2.700     0.900     0.900 peak   153 spectrum    1 weight  0.11000E+01 volume  0.14408E-02 ppm1      7.112 ppm2      1.887 CV     1
 ASSI {  155}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 24   and name HD1%)
      3.400     3.400     2.600 peak   155 spectrum    1 weight  0.11000E+01 volume  0.74228E-03 ppm1      7.115 ppm2      1.110 CV     1
 ASSI {  157}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 28   and name HE% )
      1.900     0.500     0.500 peak   157 spectrum    1 weight  0.11000E+01 volume  0.19196E-01 ppm1      7.115 ppm2      7.326 CV     1
 ASSI {  158}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 29   and name HN  ))
      3.900     1.900     1.900 peak   158 spectrum    1 weight  0.11000E+01 volume  0.58788E-03 ppm1      7.119 ppm2      9.002 CV     1
 ASSI {  159}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
      3.900     3.900     2.100 peak   159 spectrum    1 weight  0.11000E+01 volume  0.76801E-03 ppm1      7.119 ppm2      8.879 CV     1
 ASSI {  160}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 21   and name HB3 ))
      2.900     2.900     3.100 peak   160 spectrum    1 weight  0.11000E+01 volume  0.92002E-03 ppm1      7.349 ppm2      1.867 CV     1
 ASSI {  161}
   (  segid "    " and resid 28   and name HE% )
   (  segid "    " and resid 26   and name HB% )
      3.800     3.800     2.200 peak   161 spectrum    1 weight  0.11000E+01 volume  0.61950E-03 ppm1      7.353 ppm2      0.575 CV     1
 ASSI {  164}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 29   and name HG1%)
      2.600     0.800     0.800 peak   164 spectrum    1 weight  0.11000E+01 volume  0.35601E-02 ppm1      6.566 ppm2      0.561 CV     1
 ASSI {  166}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak   166 spectrum    1 weight  0.11000E+01 volume  0.34977E-02 ppm1      6.566 ppm2      3.127 CV     1
 ASSI {  167}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 31   and name HB3 ))
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.11000E+01 volume  0.29009E-02 ppm1      6.566 ppm2      2.166 CV     1
 ASSI {  168}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 31   and name HE% )
      2.200     0.600     0.600 peak   168 spectrum    1 weight  0.11000E+01 volume  0.76623E-02 ppm1      6.566 ppm2      6.378 CV     1
 ASSI {  171}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 37   and name HA2 ))
      3.900     1.900     1.900 peak   171 spectrum    1 weight  0.11000E+01 volume  0.74379E-03 ppm1      6.567 ppm2      3.631 CV     1
 ASSI {  173}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 75   and name HD1%)
      3.600     1.600     1.600 peak   173 spectrum    1 weight  0.11000E+01 volume  0.91769E-03 ppm1      6.572 ppm2      0.791 CV     1
 ASSI {  175}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 29   and name HG1%)
      3.500     1.600     1.600 peak   175 spectrum    1 weight  0.11000E+01 volume  0.15313E-02 ppm1      6.380 ppm2      0.555 CV     1
 ASSI {  177}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.300     1.700 peak   177 spectrum    1 weight  0.11000E+01 volume  0.68069E-03 ppm1      6.374 ppm2      9.014 CV     1
 ASSI {  182}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 85   and name HB% )
      3.300     1.400     1.400 peak   182 spectrum    1 weight  0.11000E+01 volume  0.13308E-02 ppm1      6.379 ppm2      1.479 CV     1
 ASSI {  183}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 87   and name HD2%)
      3.400     1.400     1.400 peak   183 spectrum    1 weight  0.11000E+01 volume  0.85691E-03 ppm1      6.383 ppm2      0.192 CV     1
 ASSI {  184}
   (( segid "    " and resid 36   and name HD2 ))
   (  segid "    " and resid 18   and name HG2%)
      4.100     4.100     1.900 peak   184 spectrum    1 weight  0.11000E+01 volume  0.39357E-03 ppm1      6.939 ppm2      1.047 CV     1
 ASSI {  185}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.100     2.100     1.900 peak   185 spectrum    1 weight  0.11000E+01 volume  0.53542E-03 ppm1      6.944 ppm2      8.992 CV     1
 ASSI {  186}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak   186 spectrum    1 weight  0.11000E+01 volume  0.57493E-03 ppm1      6.939 ppm2      2.123 CV     1
 ASSI {  187}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 30   and name HB3 ))
      4.800     2.800     1.200 peak   187 spectrum    1 weight  0.11000E+01 volume  0.38961E-03 ppm1      6.942 ppm2      2.773 CV     1
 ASSI {  188}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     3.300     2.700 peak   188 spectrum    1 weight  0.11000E+01 volume  0.41734E-03 ppm1      6.940 ppm2      4.540 CV     1
 ASSI {  189}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   189 spectrum    1 weight  0.11000E+01 volume  0.26486E-02 ppm1      6.941 ppm2      5.075 CV     1
 ASSI {  190}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.700     1.700     1.700 peak   190 spectrum    1 weight  0.11000E+01 volume  0.66292E-03 ppm1      6.944 ppm2      3.091 CV     1
 ASSI {  191}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.000     2.000     2.000 peak   191 spectrum    1 weight  0.11000E+01 volume  0.56553E-03 ppm1      6.946 ppm2      3.307 CV     1
 ASSI {  192}
   (( segid "    " and resid 36   and name HE1 ))
   (  segid "    " and resid 18   and name HG2%)
      3.000     1.100     1.100 peak   192 spectrum    1 weight  0.11000E+01 volume  0.19781E-02 ppm1      7.843 ppm2      1.015 CV     1
 ASSI {  194}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.300     1.300 peak   194 spectrum    1 weight  0.11000E+01 volume  0.94869E-03 ppm1      6.851 ppm2      4.620 CV     1
 ASSI {  195}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak   195 spectrum    1 weight  0.11000E+01 volume  0.16622E-02 ppm1      6.851 ppm2      2.797 CV     1
 ASSI {  196}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HB3 ))
      2.900     1.100     1.100 peak   196 spectrum    1 weight  0.11000E+01 volume  0.17444E-02 ppm1      6.854 ppm2      2.976 CV     1
 ASSI {  197}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 38   and name HE% )
      2.100     0.600     0.600 peak   197 spectrum    1 weight  0.11000E+01 volume  0.12767E-01 ppm1      6.851 ppm2      7.183 CV     1
 ASSI {  198}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 40   and name HG2 ))
      3.600     3.600     2.400 peak   198 spectrum    1 weight  0.11000E+01 volume  0.73564E-03 ppm1      6.853 ppm2      2.162 CV     1
 OR {  198}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 40   and name HG3 ))
 ASSI {  199}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 24   and name HB2 ))
      3.600     1.600     1.600 peak   199 spectrum    1 weight  0.11000E+01 volume  0.74652E-03 ppm1      7.169 ppm2      1.713 CV     1
 ASSI {  200}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 24   and name HB3 ))
      4.200     4.200     1.800 peak   200 spectrum    1 weight  0.11000E+01 volume  0.74365E-03 ppm1      7.167 ppm2      1.845 CV     1
 ASSI {  206}
   (( segid "    " and resid 38   and name HZ  ))
   (  segid "    " and resid 38   and name HD% )
      3.100     1.200     1.200 peak   206 spectrum    1 weight  0.11000E+01 volume  0.40537E-02 ppm1      7.215 ppm2      6.877 CV     1
 ASSI {  207}
   (  segid "    " and resid 48   and name HD% )
   (  segid "    " and resid 45   and name HB% )
      3.100     1.200     1.200 peak   207 spectrum    1 weight  0.11000E+01 volume  0.12207E-02 ppm1      7.302 ppm2      1.154 CV     1
 ASSI {  209}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 48   and name HB2 ))
      2.900     1.000     1.000 peak   209 spectrum    1 weight  0.11000E+01 volume  0.19167E-02 ppm1      7.301 ppm2      2.714 CV     1
 ASSI {  210}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 48   and name HB3 ))
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.11000E+01 volume  0.14806E-02 ppm1      7.299 ppm2      3.068 CV     1
 ASSI {  213}
   (  segid "    " and resid 48   and name HE% )
   (  segid "    " and resid 45   and name HB% )
      2.900     1.000     1.000 peak   213 spectrum    1 weight  0.11000E+01 volume  0.19857E-02 ppm1      7.009 ppm2      1.151 CV     1
 ASSI {  214}
   (  segid "    " and resid 48   and name HE% )
   (  segid "    " and resid 48   and name HD% )
      2.100     0.500     0.500 peak   214 spectrum    1 weight  0.11000E+01 volume  0.10550E-01 ppm1      7.010 ppm2      7.306 CV     1
 ASSI {  215}
   (  segid "    " and resid 48   and name HE% )
   (  segid "    " and resid 71   and name HG1%)
      3.100     1.200     1.200 peak   215 spectrum    1 weight  0.11000E+01 volume  0.13609E-02 ppm1      7.009 ppm2      0.324 CV     1
 ASSI {  216}
   (  segid "    " and resid 48   and name HE% )
   (  segid "    " and resid 93   and name HD1%)
      2.900     1.000     1.000 peak   216 spectrum    1 weight  0.11000E+01 volume  0.21818E-02 ppm1      7.010 ppm2      0.942 CV     1
 ASSI {  218}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.100     1.100 peak   218 spectrum    1 weight  0.11000E+01 volume  0.20491E-02 ppm1      6.939 ppm2      3.373 CV     1
 ASSI {  219}
   (  segid "    " and resid 49   and name HD% )
   (  segid "    " and resid 64   and name HG1%)
      3.500     1.500     1.500 peak   219 spectrum    1 weight  0.11000E+01 volume  0.47617E-03 ppm1      6.940 ppm2      0.109 CV     1
 ASSI {  222}
   (( segid "    " and resid 49   and name HZ  ))
   (  segid "    " and resid 49   and name HE% )
      2.200     0.600     0.600 peak   222 spectrum    1 weight  0.11000E+01 volume  0.88929E-02 ppm1      7.238 ppm2      7.064 CV     1
 ASSI {  223}
   (  segid "    " and resid 53   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.11000E+01 volume  0.32258E-02 ppm1      7.092 ppm2      4.414 CV     1
 ASSI {  224}
   (  segid "    " and resid 53   and name HD% )
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   224 spectrum    1 weight  0.11000E+01 volume  0.69773E-02 ppm1      7.091 ppm2      3.026 CV     1
 ASSI {  225}
   (  segid "    " and resid 53   and name HD% )
   (( segid "    " and resid 53   and name HB3 ))
      2.400     0.700     0.700 peak   225 spectrum    1 weight  0.11000E+01 volume  0.47101E-02 ppm1      7.091 ppm2      3.213 CV     1
 ASSI {  226}
   (  segid "    " and resid 53   and name HD% )
   (  segid "    " and resid 53   and name HE% )
      1.900     0.500     0.500 peak   226 spectrum    1 weight  0.11000E+01 volume  0.22512E-01 ppm1      7.091 ppm2      6.745 CV     1
 ASSI {  230}
   (  segid "    " and resid 53   and name HE% )
   (  segid "    " and resid 64   and name HG2%)
      3.600     1.600     1.600 peak   230 spectrum    1 weight  0.11000E+01 volume  0.75036E-03 ppm1      6.721 ppm2      0.357 CV     1
 ASSI {   15}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     3.100     2.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.10172E-02 ppm1      8.979 ppm2      8.824 CV     1
 OR {   15}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {   40}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.700     2.700     1.300 peak    40 spectrum    1 weight  0.10000E+01 volume  0.53544E-03 ppm1      7.402 ppm2      8.812 CV     1
 OR {   40}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {   44}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      4.100     2.100     1.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.90510E-03 ppm1      9.567 ppm2      0.572 CV     1
 OR {   44}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI {   58}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     2.600     3.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.25727E-02 ppm1      8.985 ppm2      8.809 CV     1
 OR {   58}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {   61}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.600     2.600     3.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.54409E-02 ppm1      8.697 ppm2      8.440 CV     1
 OR {   61}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  105}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HE% )
      4.100     2.100     1.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.11624E-02 ppm1      7.908 ppm2      7.066 CV     1
 OR {  105}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
 ASSI {  128}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.400     1.400     1.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.16568E-02 ppm1      8.652 ppm2      5.159 CV     1
 OR {  128}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI {  168}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 89   and name HG2%)
      3.500     1.500     1.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.53733E-03 ppm1      9.026 ppm2      0.954 CV     1
 OR {  168}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 93   and name HD1%)
 ASSI {  170}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HB  ))
      4.700     2.700     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.30729E-03 ppm1      9.032 ppm2      1.937 CV     1
 OR {  170}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  176}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.000     2.000     2.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.49374E-03 ppm1      7.952 ppm2      1.926 CV     1
 OR {  176}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HB  ))
 ASSI {  201}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HD2 ))
      3.200     3.200     2.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.76671E-03 ppm1      8.427 ppm2      1.618 CV     1
 OR {  201}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HD3 ))
 OR {  201}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  211}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
      4.500     2.600     1.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.33735E-03 ppm1      8.199 ppm2      1.465 CV     1
 OR {  211}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
 OR {  211}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HG3 ))
 ASSI {  219}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      4.400     2.400     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.49564E-03 ppm1      8.194 ppm2      4.244 CV     1
 OR {  219}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  223}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.68260E-02 ppm1      8.696 ppm2      2.024 CV     1
 OR {  223}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI {  240}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      4.300     2.300     1.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.59388E-03 ppm1      9.259 ppm2      1.485 CV     1
 OR {  240}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  240}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  242}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      4.200     2.200     1.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.56071E-03 ppm1      9.273 ppm2      1.939 CV     1
 OR {  242}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  263}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.600     0.800     0.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.49905E-02 ppm1      8.636 ppm2      1.943 CV     1
 OR {  263}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 OR {  263}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  270}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.600     1.600     1.600 peak   270 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      8.652 ppm2      0.844 CV     1
 OR {  270}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
 OR {  270}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  271}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 89   and name HG2%)
      4.300     2.300     1.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.44900E-03 ppm1      8.644 ppm2      0.976 CV     1
 OR {  271}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HG12))
 ASSI {  272}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.600     0.800     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.45178E-02 ppm1      8.652 ppm2      1.943 CV     1
 OR {  272}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 OR {  272}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  278}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.800     1.800     1.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.82961E-03 ppm1      9.067 ppm2      1.929 CV     1
 OR {  278}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
 ASSI {  281}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 93   and name HD2%)
      3.300     1.300     1.300 peak   281 spectrum    1 weight  0.10000E+01 volume  0.20930E-02 ppm1      7.288 ppm2      0.854 CV     1
 OR {  281}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
 ASSI {  294}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
      3.800     1.800     1.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.82098E-03 ppm1      8.607 ppm2      0.556 CV     1
 OR {  294}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
 OR {  294}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  294}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 73   and name HG1%)
 ASSI {  296}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.700     1.700     1.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.34769E-03 ppm1      8.607 ppm2      1.685 CV     1
 OR {  296}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  296}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  296}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
 ASSI {  303}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG2 ))
      2.400     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.48499E-02 ppm1      8.674 ppm2      2.453 CV     1
 OR {  303}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  334}
   (( segid "    " and resid 60   and name HD21))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.200     1.200 peak   334 spectrum    1 weight  0.10000E+01 volume  0.23447E-02 ppm1      7.717 ppm2      7.159 CV     1
 OR {  334}
   (( segid "    " and resid 60   and name HD21))
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  339}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 64   and name HN  ))
      3.500     1.600     1.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.24506E-02 ppm1      6.823 ppm2      7.158 CV     1
 OR {  339}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  348}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 60   and name HN  ))
      4.300     2.300     1.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.47467E-03 ppm1      6.825 ppm2      8.298 CV     1
 OR {  348}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  349}
   (( segid "    " and resid 60   and name HD21))
   (( segid "    " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.51492E-03 ppm1      7.717 ppm2      8.297 CV     1
 OR {  349}
   (( segid "    " and resid 60   and name HD21))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  363}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak   363 spectrum    1 weight  0.10000E+01 volume  0.17942E-02 ppm1      7.179 ppm2      3.818 CV     1
 OR {  363}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  365}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.600     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.24960E-02 ppm1      9.228 ppm2      2.265 CV     1
 OR {  365}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 OR {  365}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG3 ))
 ASSI {  367}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
      4.500     2.500     1.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.45520E-03 ppm1      9.039 ppm2      0.561 CV     1
 OR {  367}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {  386}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
      3.500     1.600     1.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.14338E-02 ppm1      7.143 ppm2      0.581 CV     1
 OR {  386}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  396}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
      4.600     2.600     1.400 peak   396 spectrum    1 weight  0.10000E+01 volume  0.42829E-03 ppm1      7.183 ppm2      0.585 CV     1
 OR {  396}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  403}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.500     0.800     0.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.87642E-02 ppm1      8.376 ppm2      2.028 CV     1
 OR {  403}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
 OR {  403}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  405}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      4.600     2.600     1.400 peak   405 spectrum    1 weight  0.10000E+01 volume  0.58413E-03 ppm1      8.295 ppm2      0.570 CV     1
 OR {  405}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI {  406}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.13339E-01 ppm1      8.379 ppm2      4.345 CV     1
 OR {  406}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  415}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.200     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.13021E-01 ppm1      8.351 ppm2      4.347 CV     1
 OR {  415}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  415}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  415}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  416}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.900     1.900     1.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.59796E-03 ppm1      8.347 ppm2      2.128 CV     1
 OR {  416}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  417}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.600     1.600     1.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.72161E-03 ppm1      8.354 ppm2      2.033 CV     1
 OR {  417}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {  419}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
      3.000     1.100     1.100 peak   419 spectrum    1 weight  0.10000E+01 volume  0.26895E-02 ppm1      8.350 ppm2      1.487 CV     1
 OR {  419}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
 OR {  419}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG3 ))
 OR {  419}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG3 ))
 ASSI {  428}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      4.400     2.400     1.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.35697E-03 ppm1      8.294 ppm2      0.831 CV     1
 OR {  428}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  440}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      4.600     2.600     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.29338E-03 ppm1      9.225 ppm2      1.935 CV     1
 OR {  440}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 OR {  440}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  443}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.900     1.900     1.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.65723E-03 ppm1      8.746 ppm2      0.575 CV     1
 OR {  443}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI {  459}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
      3.100     1.200     1.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.19916E-02 ppm1      9.052 ppm2      0.571 CV     1
 OR {  459}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 OR {  459}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  468}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      3.600     1.700     1.700 peak   468 spectrum    1 weight  0.10000E+01 volume  0.60136E-03 ppm1      8.820 ppm2      2.092 CV     1
 OR {  468}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
 ASSI {  470}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG13))
      3.300     1.400     1.400 peak   470 spectrum    1 weight  0.10000E+01 volume  0.25776E-02 ppm1      8.817 ppm2      1.333 CV     1
 OR {  470}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI {  476}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      4.600     2.600     1.400 peak   476 spectrum    1 weight  0.10000E+01 volume  0.38009E-03 ppm1      9.223 ppm2      1.673 CV     1
 OR {  476}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  476}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
 ASSI {  482}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      3.600     1.600     1.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.19708E-02 ppm1      9.219 ppm2      0.558 CV     1
 OR {  482}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
 OR {  482}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI {  485}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.600     1.600     1.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.11692E-02 ppm1      7.398 ppm2      1.665 CV     1
 OR {  485}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
 ASSI {  490}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      4.100     2.100     1.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.12556E-02 ppm1      7.401 ppm2      0.559 CV     1
 OR {  490}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
 OR {  490}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
 OR {  490}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI {  497}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      4.500     2.500     1.500 peak   497 spectrum    1 weight  0.10000E+01 volume  0.55115E-03 ppm1      9.368 ppm2      0.569 CV     1
 OR {  497}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
 OR {  497}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
 ASSI {  519}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.700     1.700     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.69903E-03 ppm1      8.997 ppm2      5.094 CV     1
 OR {  519}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  520}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.17019E-02 ppm1      8.995 ppm2      4.636 CV     1
 OR {  520}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  534}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      4.100     2.100     1.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.51325E-03 ppm1      8.972 ppm2      1.706 CV     1
 OR {  534}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI {  536}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      3.400     1.400     1.400 peak   536 spectrum    1 weight  0.10000E+01 volume  0.11580E-02 ppm1      8.983 ppm2      0.567 CV     1
 OR {  536}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
 OR {  536}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
 OR {  536}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI {  539}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.400     1.400     1.400 peak   539 spectrum    1 weight  0.10000E+01 volume  0.13053E-02 ppm1      8.173 ppm2      1.679 CV     1
 OR {  539}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
 OR {  539}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  542}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      4.400     2.400     1.600 peak   542 spectrum    1 weight  0.10000E+01 volume  0.61602E-03 ppm1      8.171 ppm2      0.897 CV     1
 OR {  542}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
 ASSI {  547}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      3.900     1.900     1.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.16635E-02 ppm1      7.327 ppm2      1.857 CV     1
 OR {  547}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI {  551}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      2.400     0.700     0.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.77958E-02 ppm1      7.327 ppm2      0.572 CV     1
 OR {  551}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  553}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.400     1.500     1.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.17536E-02 ppm1      7.326 ppm2      1.711 CV     1
 OR {  553}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
 ASSI {  557}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      4.800     2.800     1.200 peak   557 spectrum    1 weight  0.10000E+01 volume  0.30222E-03 ppm1      7.991 ppm2      1.993 CV     1
 OR {  557}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {  557}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
 ASSI {  570}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.700     1.700     1.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.14006E-02 ppm1      7.303 ppm2      2.344 CV     1
 OR {  570}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
 OR {  570}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  570}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  571}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.400     2.500     1.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.10091E-02 ppm1      7.303 ppm2      2.205 CV     1
 OR {  571}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI {  584}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      3.800     1.800     1.800 peak   584 spectrum    1 weight  0.10000E+01 volume  0.89770E-03 ppm1      8.835 ppm2      0.849 CV     1
 OR {  584}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG13))
 ASSI {  586}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      4.000     2.000     2.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.94233E-03 ppm1      8.834 ppm2      0.572 CV     1
 OR {  586}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
 ASSI {  595}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.500     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.10410E-02 ppm1      9.024 ppm2      2.138 CV     1
 OR {  595}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  615}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.000     2.000     2.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.31591E-03 ppm1      9.795 ppm2      0.990 CV     1
 OR {  615}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 75   and name HG12))
 ASSI {  616}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 29   and name HG1%)
      3.400     1.400     1.400 peak   616 spectrum    1 weight  0.10000E+01 volume  0.16957E-02 ppm1      9.796 ppm2      0.561 CV     1
 OR {  616}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 87   and name HD1%)
 OR {  616}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  620}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 87   and name HG  ))
      3.200     1.300     1.300 peak   620 spectrum    1 weight  0.10000E+01 volume  0.18604E-02 ppm1      9.133 ppm2      1.491 CV     1
 OR {  620}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI {  621}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.200     2.200     1.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.39868E-03 ppm1      8.891 ppm2      0.787 CV     1
 OR {  621}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI {  627}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      2.800     1.000     1.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.38608E-02 ppm1      8.887 ppm2      0.589 CV     1
 OR {  627}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
 OR {  627}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  634}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak   634 spectrum    1 weight  0.10000E+01 volume  0.14743E-02 ppm1      8.454 ppm2      2.343 CV     1
 OR {  634}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
 OR {  634}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI {  635}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.74468E-03 ppm1      8.471 ppm2      2.112 CV     1
 OR {  635}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI {  638}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      4.100     2.100     1.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.99133E-03 ppm1      8.476 ppm2      2.200 CV     1
 OR {  638}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
 OR {  638}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
 ASSI {  647}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.900     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.37505E-02 ppm1      8.756 ppm2      2.019 CV     1
 OR {  647}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
 ASSI {  652}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
      4.100     2.100     1.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.50823E-03 ppm1      8.755 ppm2      0.582 CV     1
 OR {  652}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  661}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
      4.000     2.000     2.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.94068E-03 ppm1      7.884 ppm2      0.593 CV     1
 OR {  661}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  662}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      4.900     2.900     1.100 peak   662 spectrum    1 weight  0.10000E+01 volume  0.32581E-03 ppm1      7.693 ppm2      1.168 CV     1
 OR {  662}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
 ASSI {  663}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 39   and name HD2%)
      4.300     2.300     1.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.34396E-03 ppm1      7.677 ppm2      0.346 CV     1
 OR {  663}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  669}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      4.900     3.000     1.100 peak   669 spectrum    1 weight  0.10000E+01 volume  0.50051E-03 ppm1      7.679 ppm2      1.724 CV     1
 OR {  669}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
 ASSI {  674}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      3.600     1.600     1.600 peak   674 spectrum    1 weight  0.10000E+01 volume  0.14210E-02 ppm1      7.686 ppm2      0.825 CV     1
 OR {  674}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI {  679}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 94   and name HB% )
      4.500     2.500     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.75111E-03 ppm1      7.834 ppm2      1.409 CV     1
 OR {  679}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI {  681}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 89   and name HG2%)
      3.500     1.600     1.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.96074E-03 ppm1      7.833 ppm2      0.946 CV     1
 OR {  681}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 93   and name HD1%)
 ASSI {  683}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HD1%)
      4.700     2.700     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.44187E-03 ppm1      7.835 ppm2      0.574 CV     1
 OR {  683}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {  702}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.300     0.700     0.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.86656E-02 ppm1      7.905 ppm2      3.368 CV     1
 OR {  702}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  707}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.600     1.600     1.600 peak   707 spectrum    1 weight  0.10000E+01 volume  0.87916E-03 ppm1      7.907 ppm2      1.758 CV     1
 OR {  707}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  725}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.500     1.600     1.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.11652E-02 ppm1      8.293 ppm2      2.836 CV     1
 OR {  725}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  725}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  726}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      4.200     2.200     1.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.49091E-03 ppm1      7.767 ppm2      3.379 CV     1
 OR {  726}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  738}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HG12))
      4.500     2.600     1.500 peak   738 spectrum    1 weight  0.10000E+01 volume  0.61043E-03 ppm1      8.474 ppm2      1.849 CV     1
 OR {  738}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
 ASSI {  739}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.400     2.400     1.600 peak   739 spectrum    1 weight  0.10000E+01 volume  0.41526E-03 ppm1      9.553 ppm2      4.179 CV     1
 OR {  739}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  777}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.400     1.400 peak   777 spectrum    1 weight  0.10000E+01 volume  0.16786E-02 ppm1      9.222 ppm2      8.990 CV     1
 OR {  777}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  908}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak   908 spectrum    1 weight  0.10000E+01 volume  0.16183E-02 ppm1      9.567 ppm2      8.305 CV     1
 OR {  908}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {    2}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 48   and name HD% )
      2.700     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.29670E-02 ppm1      0.835 ppm2      7.305 CV     1
 OR {    2}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI {    8}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
      3.500     1.600     1.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.11495E-02 ppm1      1.939 ppm2      0.847 CV     1
 OR {    8}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 91   and name HG2%)
 OR {    8}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
 OR {    8}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 91   and name HG2%)
 ASSI {   23}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.37882E-02 ppm1      4.377 ppm2      8.295 CV     1
 OR {   23}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {   24}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 93   and name HD2%)
      3.900     1.900     1.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.66448E-03 ppm1      1.433 ppm2      0.849 CV     1
 OR {   24}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 72   and name HG2%)
 ASSI {   25}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 93   and name HD1%)
      3.300     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.11652E-02 ppm1      1.428 ppm2      0.970 CV     1
 OR {   25}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 89   and name HG2%)
 ASSI {   38}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.27647E-03 ppm1      0.574 ppm2      8.844 CV     1
 OR {   38}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI {   39}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      4.400     2.400     1.600 peak    39 spectrum    1 weight  0.10000E+01 volume  0.23007E-03 ppm1      0.572 ppm2      7.989 CV     1
 OR {   39}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
 ASSI {   65}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      4.500     2.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.38167E-03 ppm1      1.504 ppm2      4.976 CV     1
 OR {   65}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {   68}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      4.000     2.000     2.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.52450E-03 ppm1      5.174 ppm2      1.941 CV     1
 OR {   68}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 91   and name HB  ))
 ASSI {   79}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.70498E-03 ppm1      4.294 ppm2      8.994 CV     1
 OR {   79}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {   88}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak    88 spectrum    1 weight  0.10000E+01 volume  0.13956E-02 ppm1      0.374 ppm2      9.056 CV     1
 OR {   88}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
 ASSI {   95}
   (( segid "    " and resid 40   and name HD3 ))
   (  segid "    " and resid 39   and name HD1%)
      2.900     2.900     3.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.12666E-02 ppm1      3.813 ppm2      0.605 CV     1
 OR {   95}
   (( segid "    " and resid 40   and name HD3 ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI {  108}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 93   and name HD2%)
      3.400     1.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.56671E-03 ppm1      4.382 ppm2      0.868 CV     1
 OR {  108}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HG12))
 OR {  108}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  146}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      3.500     3.500     2.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.43405E-03 ppm1      4.363 ppm2      8.411 CV     1
 OR {  146}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI {  152}
   (( segid "    " and resid 95   and name HA2 ))
   (  segid "    " and resid 51   and name HB% )
      2.900     1.000     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.10560E-02 ppm1      4.020 ppm2      1.442 CV     1
 OR {  152}
   (( segid "    " and resid 95   and name HA1 ))
   (  segid "    " and resid 51   and name HB% )
 OR {  152}
   (( segid "    " and resid 95   and name HA2 ))
   (  segid "    " and resid 94   and name HB% )
 ASSI {  175}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HA  ))
      4.000     2.000     2.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.93719E-03 ppm1      3.012 ppm2      5.255 CV     1
 OR {  175}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  175}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI {  200}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 50   and name HD2 ))
      2.600     2.600     3.400 peak   200 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      3.224 ppm2      3.389 CV     1
 OR {  200}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  200}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  201}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HG3 ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.59265E-02 ppm1      3.076 ppm2      1.599 CV     1
 OR {  201}
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 35   and name HG2 ))
 ASSI {  219}
   (( segid "    " and resid 83   and name HE2 ))
   (( segid "    " and resid 83   and name HG3 ))
      2.700     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.39009E-02 ppm1      2.970 ppm2      1.476 CV     1
 OR {  219}
   (( segid "    " and resid 83   and name HE3 ))
   (( segid "    " and resid 83   and name HG3 ))
 OR {  219}
   (( segid "    " and resid 83   and name HE2 ))
   (( segid "    " and resid 83   and name HG2 ))
 OR {  219}
   (( segid "    " and resid 83   and name HE3 ))
   (( segid "    " and resid 83   and name HG2 ))
 OR {  219}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI {  221}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 22   and name HB3 ))
      3.500     1.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.17214E-02 ppm1      4.106 ppm2      2.202 CV     1
 OR {  221}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  225}
   (( segid "    " and resid 14   and name HE2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.30761E-02 ppm1      2.971 ppm2      1.888 CV     1
 OR {  225}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  225}
   (( segid "    " and resid 83   and name HE2 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR {  225}
   (( segid "    " and resid 83   and name HE3 ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI {  227}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 70   and name HG3 ))
      3.200     1.300     1.300 peak   227 spectrum    1 weight  0.10000E+01 volume  0.16156E-02 ppm1      3.007 ppm2      2.134 CV     1
 OR {  227}
   (( segid "    " and resid 14   and name HE2 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  227}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 70   and name HG3 ))
 ASSI {  228}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 62   and name HD2 ))
      4.600     2.600     1.400 peak   228 spectrum    1 weight  0.10000E+01 volume  0.42398E-03 ppm1      3.903 ppm2      1.755 CV     1
 OR {  228}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 62   and name HD3 ))
 OR {  228}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 24   and name HG  ))
 ASSI {  231}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.700     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.33972E-02 ppm1      3.888 ppm2      2.191 CV     1
 OR {  231}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HG3 ))
 OR {  231}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  232}
   (( segid "    " and resid 40   and name HD2 ))
   (  segid "    " and resid 26   and name HB% )
      3.600     1.600     1.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.13848E-02 ppm1      3.877 ppm2      0.599 CV     1
 OR {  232}
   (( segid "    " and resid 40   and name HD2 ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI {  241}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 8    and name HG3 ))
      2.300     0.600     0.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.11840E-01 ppm1      3.050 ppm2      1.485 CV     1
 OR {  241}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 9    and name HG3 ))
 OR {  241}
   (( segid "    " and resid 77   and name HE3 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  241}
   (( segid "    " and resid 77   and name HE3 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  241}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 9    and name HG2 ))
 OR {  241}
   (( segid "    " and resid 8    and name HE3 ))
   (( segid "    " and resid 8    and name HG3 ))
 OR {  241}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 8    and name HG2 ))
 OR {  241}
   (( segid "    " and resid 77   and name HE2 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  241}
   (( segid "    " and resid 77   and name HE2 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR {  241}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HG3 ))
 ASSI {  259}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HD3 ))
      1.900     0.500     0.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.22231E-01 ppm1      3.053 ppm2      1.747 CV     1
 OR {  259}
   (( segid "    " and resid 77   and name HE2 ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  259}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HD3 ))
 OR {  259}
   (( segid "    " and resid 77   and name HE3 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR {  259}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  259}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  259}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 9    and name HD3 ))
 OR {  259}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HD3 ))
 OR {  259}
   (( segid "    " and resid 77   and name HE3 ))
   (( segid "    " and resid 77   and name HD2 ))
 OR {  259}
   (( segid "    " and resid 77   and name HE2 ))
   (( segid "    " and resid 77   and name HD3 ))
 ASSI {  262}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 22   and name HG2 ))
      3.300     1.400     1.400 peak   262 spectrum    1 weight  0.10000E+01 volume  0.43260E-03 ppm1      3.056 ppm2      2.320 CV     1
 OR {  262}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 22   and name HG2 ))
 OR {  262}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 6    and name HG2 ))
 OR {  262}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 6    and name HG3 ))
 OR {  262}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 6    and name HG2 ))
 OR {  262}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 6    and name HG3 ))
 OR {  262}
   (( segid "    " and resid 77   and name HE3 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR {  262}
   (( segid "    " and resid 77   and name HE2 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  269}
   (( segid "    " and resid 35   and name HD3 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.300     0.600     0.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.79005E-02 ppm1      2.982 ppm2      1.579 CV     1
 OR {  269}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG3 ))
 OR {  269}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HG3 ))
 OR {  269}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  273}
   (  segid "    " and resid 64   and name HG1%)
   (  segid "    " and resid 65   and name HD2%)
      2.700     0.900     0.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.39506E-02 ppm1      0.106 ppm2      0.613 CV     1
 OR {  273}
   (  segid "    " and resid 64   and name HG1%)
   (  segid "    " and resid 44   and name HD1%)
 ASSI {  274}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 22   and name HB3 ))
      3.300     1.400     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.97997E-03 ppm1      0.875 ppm2      2.206 CV     1
 OR {  274}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 25   and name HB3 ))
 OR {  274}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  275}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
      3.200     1.200     1.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.97333E-03 ppm1      0.874 ppm2      2.333 CV     1
 OR {  275}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 22   and name HG2 ))
 OR {  275}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  277}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.51940E-02 ppm1      0.873 ppm2      4.200 CV     1
 OR {  277}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  280}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.900     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.35768E-02 ppm1      0.874 ppm2      3.788 CV     1
 OR {  280}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  282}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.19977E-02 ppm1      0.871 ppm2      1.834 CV     1
 OR {  282}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR {  282}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
 ASSI {  314}
   (  segid "    " and resid 55   and name HB% )
   (  segid "    " and resid 53   and name HD% )
      2.900     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.13061E-02 ppm1      1.284 ppm2      7.101 CV     1
 OR {  314}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 56   and name HD2 ))
 ASSI {  320}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 70   and name HA  ))
      3.600     1.600     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.70806E-03 ppm1      0.313 ppm2      5.246 CV     1
 OR {  320}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  338}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HE  ))
      3.800     1.800     1.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.45399E-03 ppm1      3.247 ppm2      7.369 CV     1
 OR {  338}
   (( segid "    " and resid 19   and name HD2 ))
   (  segid "    " and resid 28   and name HE% )
 ASSI {  352}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   352 spectrum    1 weight  0.10000E+01 volume  0.55484E-02 ppm1      4.352 ppm2      8.332 CV     1
 OR {  352}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 OR {  352}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 OR {  352}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  379}
   (( segid "    " and resid 62   and name HE2 ))
   (  segid "    " and resid 61   and name HG2%)
      3.200     1.300     1.300 peak   379 spectrum    1 weight  0.10000E+01 volume  0.56401E-03 ppm1      3.042 ppm2      0.862 CV     1
 OR {  379}
   (( segid "    " and resid 62   and name HE3 ))
   (  segid "    " and resid 61   and name HG2%)
 OR {  379}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 12   and name HG12))
 OR {  379}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 12   and name HG12))
 OR {  379}
   (( segid "    " and resid 77   and name HE3 ))
   (  segid "    " and resid 75   and name HG2%)
 OR {  379}
   (( segid "    " and resid 16   and name HE2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  379}
   (( segid "    " and resid 16   and name HE3 ))
   (  segid "    " and resid 72   and name HD1%)
 ASSI {  389}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     3.200     2.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.64250E-03 ppm1      3.041 ppm2      4.550 CV     1
 OR {  389}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  398}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HD2 ))
      3.400     1.400     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.11808E-02 ppm1      3.039 ppm2      3.390 CV     1
 OR {  398}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  415}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 44   and name HG12))
      4.400     2.500     1.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.44804E-03 ppm1      3.801 ppm2      1.821 CV     1
 OR {  415}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  415}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  415}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 20   and name HB  ))
 ASSI {  417}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 20   and name HG12))
      4.600     2.600     1.400 peak   417 spectrum    1 weight  0.10000E+01 volume  0.41383E-03 ppm1      3.786 ppm2      1.476 CV     1
 OR {  417}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HG3 ))
 ASSI {  418}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 65   and name HG  ))
      3.900     1.900     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.58223E-03 ppm1      3.789 ppm2      1.394 CV     1
 OR {  418}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  418}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  421}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      3.200     1.200     1.200 peak   421 spectrum    1 weight  0.10000E+01 volume  0.23904E-02 ppm1      3.791 ppm2      0.893 CV     1
 OR {  421}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 41   and name HD2%)
 ASSI {  424}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 44   and name HD1%)
      3.300     1.400     1.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.23546E-02 ppm1      3.791 ppm2      0.583 CV     1
 OR {  424}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {  426}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 44   and name HG12))
      4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.11710E-02 ppm1      1.699 ppm2      1.824 CV     1
 OR {  426}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 62   and name HB3 ))
 OR {  426}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 20   and name HB  ))
 ASSI {  434}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 61   and name HG2%)
      2.400     0.700     0.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.39159E-02 ppm1      1.707 ppm2      0.890 CV     1
 OR {  434}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 41   and name HD2%)
 ASSI {  451}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 44   and name HD1%)
      3.800     1.800     1.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.63771E-03 ppm1      1.622 ppm2      0.597 CV     1
 OR {  451}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 65   and name HD2%)
 ASSI {  456}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 69   and name HB2 ))
      4.500     2.500     1.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.80059E-03 ppm1      1.693 ppm2      2.280 CV     1
 OR {  456}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 67   and name HG3 ))
 ASSI {  464}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.21759E-02 ppm1      1.625 ppm2      7.174 CV     1
 OR {  464}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  465}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.67657E-03 ppm1      2.846 ppm2      8.306 CV     1
 OR {  465}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 OR {  465}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  476}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.400     1.500     1.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.29996E-02 ppm1      1.899 ppm2      2.205 CV     1
 OR {  476}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 40   and name HG3 ))
 OR {  476}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI {  482}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
      3.700     1.700     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.62705E-03 ppm1      1.371 ppm2      1.708 CV     1
 OR {  482}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 61   and name HB  ))
 ASSI {  491}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 65   and name HD1%)
      2.900     1.100     1.100 peak   491 spectrum    1 weight  0.10000E+01 volume  0.21582E-02 ppm1      1.192 ppm2      0.566 CV     1
 OR {  491}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 17   and name HD1%)
 ASSI {  499}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak   499 spectrum    1 weight  0.10000E+01 volume  0.10017E-02 ppm1      1.373 ppm2      7.156 CV     1
 OR {  499}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  500}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      4.200     2.200     1.800 peak   500 spectrum    1 weight  0.10000E+01 volume  0.59755E-03 ppm1      1.185 ppm2      7.159 CV     1
 OR {  500}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  540}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
      3.800     1.800     1.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.10650E-02 ppm1      2.290 ppm2      1.698 CV     1
 OR {  540}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  550}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
      3.300     1.400     1.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.18720E-02 ppm1      4.255 ppm2      1.479 CV     1
 OR {  550}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  556}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 17   and name HD1%)
      4.200     2.200     1.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.42743E-03 ppm1      5.229 ppm2      0.543 CV     1
 OR {  556}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI {  565}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak   565 spectrum    1 weight  0.10000E+01 volume  0.15902E-02 ppm1      2.082 ppm2      5.238 CV     1
 OR {  565}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  566}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.16917E-02 ppm1      2.031 ppm2      5.238 CV     1
 OR {  566}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  570}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
      3.400     1.400     1.400 peak   570 spectrum    1 weight  0.10000E+01 volume  0.10352E-02 ppm1      2.100 ppm2      1.735 CV     1
 OR {  570}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  570}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 14   and name HD3 ))
 ASSI {  572}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.600     1.400 peak   572 spectrum    1 weight  0.10000E+01 volume  0.60428E-03 ppm1      1.920 ppm2      4.663 CV     1
 OR {  572}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  579}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 88   and name HG2%)
      4.200     2.200     1.800 peak   579 spectrum    1 weight  0.10000E+01 volume  0.50863E-03 ppm1      5.323 ppm2      1.122 CV     1
 OR {  579}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  581}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      3.600     1.600     1.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.65638E-03 ppm1      5.336 ppm2      0.827 CV     1
 OR {  581}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 72   and name HG2%)
 ASSI {  589}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 88   and name HG2%)
      3.700     1.700     1.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.12179E-02 ppm1      1.948 ppm2      1.128 CV     1
 OR {  589}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 45   and name HB% )
 ASSI {  590}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 89   and name HG2%)
      3.900     1.900     1.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.81311E-03 ppm1      1.944 ppm2      0.953 CV     1
 OR {  590}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 93   and name HD1%)
 ASSI {  595}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.800     3.800     2.200 peak   595 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      1.421 ppm2      2.068 CV     1
 OR {  595}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI {  596}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 72   and name HG13))
      4.800     2.900     1.200 peak   596 spectrum    1 weight  0.10000E+01 volume  0.43391E-03 ppm1      1.442 ppm2      1.659 CV     1
 OR {  596}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 93   and name HB2 ))
 OR {  596}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 93   and name HB3 ))
 ASSI {  598}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 73   and name HG1%)
      3.200     1.300     1.300 peak   598 spectrum    1 weight  0.10000E+01 volume  0.15076E-02 ppm1      1.427 ppm2      0.547 CV     1
 OR {  598}
   (( segid "    " and resid 71   and name HB  ))
   (  segid "    " and resid 17   and name HD1%)
 ASSI {  602}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.700     1.700     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      2.002 ppm2      2.934 CV     1
 OR {  602}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HE2 ))
 ASSI {  607}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.500     0.300     0.700 peak   607 spectrum    1 weight  0.10000E+01 volume  0.27956E-01 ppm1      1.901 ppm2      1.979 CV     1
 OR {  607}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI {  616}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   616 spectrum    1 weight  0.10000E+01 volume  0.13521E-02 ppm1      1.940 ppm2      8.641 CV     1
 OR {  616}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
 OR {  616}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
 OR {  616}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  617}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      4.000     2.000     2.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.46422E-03 ppm1      1.978 ppm2      8.427 CV     1
 OR {  617}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI {  625}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG13))
      3.900     1.900     1.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.62671E-03 ppm1      3.946 ppm2      1.516 CV     1
 OR {  625}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  629}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      4.100     2.100     1.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.66224E-03 ppm1      2.805 ppm2      4.961 CV     1
 OR {  629}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  663}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.10364E-02 ppm1      1.826 ppm2      8.630 CV     1
 OR {  663}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI {  668}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.400     2.400     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.49584E-03 ppm1      4.116 ppm2      1.918 CV     1
 OR {  668}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI {  683}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.35118E-02 ppm1      2.009 ppm2      8.657 CV     1
 OR {  683}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
 OR {  683}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  704}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak   704 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      1.473 ppm2      4.537 CV     1
 OR {  704}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  708}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 84   and name HA2 ))
      3.200     1.300     1.300 peak   708 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1      1.473 ppm2      3.947 CV     1
 OR {  708}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  709}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HA  ))
      4.100     2.100     1.900 peak   709 spectrum    1 weight  0.10000E+01 volume  0.46997E-03 ppm1      1.662 ppm2      5.161 CV     1
 OR {  709}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 37   and name HA1 ))
 ASSI {  722}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HB3 ))
      4.000     2.000     2.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.82249E-03 ppm1      1.665 ppm2      1.120 CV     1
 OR {  722}
   (  segid "    " and resid 86   and name HB% )
   (  segid "    " and resid 88   and name HG2%)
 ASSI {  727}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 87   and name HD1%)
      3.900     1.900     1.900 peak   727 spectrum    1 weight  0.10000E+01 volume  0.71881E-03 ppm1      1.470 ppm2      0.555 CV     1
 OR {  727}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  728}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 79   and name HG2 ))
      2.700     0.900     0.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.16328E-02 ppm1      1.472 ppm2      2.348 CV     1
 OR {  728}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 79   and name HG3 ))
 OR {  728}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 78   and name HG2 ))
 ASSI {  730}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 79   and name HB2 ))
      2.800     1.000     1.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.11171E-02 ppm1      1.471 ppm2      2.019 CV     1
 OR {  730}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 78   and name HB3 ))
 OR {  730}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  741}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      3.500     1.500     1.500 peak   741 spectrum    1 weight  0.10000E+01 volume  0.65200E-03 ppm1      1.670 ppm2      8.423 CV     1
 OR {  741}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 88   and name HN  ))
 ASSI {  745}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.400     1.500     1.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.35524E-03 ppm1      4.283 ppm2      2.356 CV     1
 OR {  745}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 78   and name HG2 ))
 OR {  745}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 79   and name HG3 ))
 OR {  745}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 78   and name HG3 ))
 ASSI {  747}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.200     1.300     1.300 peak   747 spectrum    1 weight  0.10000E+01 volume  0.56479E-03 ppm1      4.274 ppm2      2.013 CV     1
 OR {  747}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  776}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 39   and name HB3 ))
      3.400     1.500     1.500 peak   776 spectrum    1 weight  0.10000E+01 volume  0.12909E-02 ppm1      1.503 ppm2      1.664 CV     1
 OR {  776}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 29   and name HB  ))
 ASSI {  779}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 87   and name HD1%)
      2.900     1.000     1.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.17636E-02 ppm1      1.506 ppm2      0.571 CV     1
 OR {  779}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 73   and name HG1%)
 OR {  779}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  782}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 39   and name HB3 ))
      3.700     1.800     1.800 peak   782 spectrum    1 weight  0.10000E+01 volume  0.10136E-02 ppm1      1.101 ppm2      1.665 CV     1
 OR {  782}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 29   and name HB  ))
 ASSI {  784}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 73   and name HG2%)
      3.300     1.300     1.300 peak   784 spectrum    1 weight  0.10000E+01 volume  0.16112E-02 ppm1      1.095 ppm2      0.568 CV     1
 OR {  784}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 87   and name HD1%)
 OR {  784}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 73   and name HG1%)
 ASSI {  793}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      3.900     1.900     1.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.76719E-03 ppm1      5.175 ppm2      0.849 CV     1
 OR {  793}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 93   and name HD2%)
 ASSI {  838}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
      1.900     0.500     0.500 peak   838 spectrum    1 weight  0.10000E+01 volume  0.78259E-02 ppm1      2.003 ppm2      2.570 CV     1
 OR {  838}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  856}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 94   and name HA  ))
      2.000     0.500     0.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.19677E-01 ppm1      1.417 ppm2      4.371 CV     1
 OR {  856}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  857}
   (  segid "    " and resid 10   and name HB% )
   (  segid "    " and resid 12   and name HD1%)
      2.700     2.700     3.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.46114E-02 ppm1      1.414 ppm2      0.807 CV     1
 OR {  857}
   (  segid "    " and resid 10   and name HB% )
   (  segid "    " and resid 12   and name HG2%)
 OR {  857}
   (  segid "    " and resid 10   and name HB% )
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  863}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 12   and name HD1%)
      4.300     2.300     1.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.47253E-03 ppm1      2.850 ppm2      0.815 CV     1
 OR {  863}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  864}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 74   and name HB2 ))
      3.900     1.900     1.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.56397E-03 ppm1      2.839 ppm2      1.943 CV     1
 OR {  864}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 74   and name HB3 ))
 OR {  864}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI {  865}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 74   and name HB2 ))
      3.900     1.900     1.900 peak   865 spectrum    1 weight  0.10000E+01 volume  0.46166E-03 ppm1      2.708 ppm2      1.934 CV     1
 OR {  865}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 74   and name HB3 ))
 OR {  865}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI {  886}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
      4.100     2.100     1.900 peak   886 spectrum    1 weight  0.10000E+01 volume  0.44266E-03 ppm1      3.242 ppm2      4.265 CV     1
 OR {  886}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {  886}
   (( segid "    " and resid 80   and name HD3 ))
   (( segid "    " and resid 85   and name HA  ))
 OR {  886}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  888}
   (( segid "    " and resid 80   and name HD3 ))
   (( segid "    " and resid 83   and name HA  ))
      4.300     2.300     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.40936E-03 ppm1      3.225 ppm2      4.448 CV     1
 OR {  888}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  888}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 68   and name HA1 ))
 OR {  888}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 68   and name HA1 ))
 ASSI {  889}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.400     1.400 peak   889 spectrum    1 weight  0.10000E+01 volume  0.24450E-02 ppm1      3.228 ppm2      4.564 CV     1
 OR {  889}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 80   and name HA  ))
 OR {  889}
   (( segid "    " and resid 80   and name HD3 ))
   (( segid "    " and resid 80   and name HA  ))
 OR {  889}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  898}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 80   and name HB3 ))
      2.600     0.800     0.800 peak   898 spectrum    1 weight  0.10000E+01 volume  0.64645E-02 ppm1      3.230 ppm2      1.828 CV     1
 OR {  898}
   (( segid "    " and resid 80   and name HD3 ))
   (( segid "    " and resid 80   and name HB3 ))
 OR {  898}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  898}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  900}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 78   and name HB2 ))
      3.500     3.500     2.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.41378E-03 ppm1      3.239 ppm2      2.130 CV     1
 OR {  900}
   (( segid "    " and resid 80   and name HD3 ))
   (( segid "    " and resid 78   and name HB2 ))
 OR {  900}
   (( segid "    " and resid 66   and name HD3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR {  900}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  901}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 21   and name HG3 ))
      3.800     1.800     1.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.94246E-03 ppm1      3.242 ppm2      2.327 CV     1
 OR {  901}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 79   and name HG2 ))
 OR {  901}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 79   and name HG3 ))
 OR {  901}
   (( segid "    " and resid 80   and name HD3 ))
   (( segid "    " and resid 79   and name HG2 ))
 OR {  901}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  906}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 72   and name HG2%)
      2.500     2.500     3.500 peak   906 spectrum    1 weight  0.10000E+01 volume  0.64335E-02 ppm1      0.594 ppm2      0.845 CV     1
 OR {  906}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 75   and name HG2%)
 OR {  906}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 93   and name HD2%)
 OR {  906}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 91   and name HG2%)
 ASSI {  909}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 31   and name HB3 ))
      3.300     3.300     2.700 peak   909 spectrum    1 weight  0.10000E+01 volume  0.13711E-02 ppm1      0.587 ppm2      2.167 CV     1
 OR {  909}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  910}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 70   and name HB2 ))
      2.700     2.700     3.300 peak   910 spectrum    1 weight  0.10000E+01 volume  0.14141E-02 ppm1      0.599 ppm2      2.058 CV     1
 OR {  910}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 69   and name HB3 ))
 ASSI {  912}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 29   and name HB  ))
      4.500     2.500     1.500 peak   912 spectrum    1 weight  0.10000E+01 volume  0.27730E-03 ppm1      0.579 ppm2      1.673 CV     1
 OR {  912}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 39   and name HB3 ))
 ASSI {  915}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 15   and name HA2 ))
      2.700     2.700     3.300 peak   915 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      0.586 ppm2      3.132 CV     1
 OR {  915}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  923}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.900     1.900     1.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.74529E-03 ppm1      0.585 ppm2      5.137 CV     1
 OR {  923}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  926}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 87   and name HD1%)
      2.300     0.700     0.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.80983E-02 ppm1      0.182 ppm2      0.566 CV     1
 OR {  926}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 73   and name HG2%)
 OR {  926}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  933}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 37   and name HA1 ))
      3.100     1.200     1.200 peak   933 spectrum    1 weight  0.10000E+01 volume  0.34121E-02 ppm1      0.183 ppm2      5.160 CV     1
 OR {  933}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  934}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   934 spectrum    1 weight  0.10000E+01 volume  0.53476E-03 ppm1      0.184 ppm2      4.974 CV     1
 OR {  934}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  935}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.400     1.400 peak   935 spectrum    1 weight  0.10000E+01 volume  0.40028E-03 ppm1      0.179 ppm2      4.637 CV     1
 OR {  935}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  937}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.300     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.58849E-02 ppm1      3.260 ppm2      1.885 CV     1
 OR {  937}
   (( segid "    " and resid 80   and name HD2 ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  937}
   (( segid "    " and resid 80   and name HD3 ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  938}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 73   and name HG1%)
      3.000     3.000     3.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.78601E-03 ppm1      1.664 ppm2      0.573 CV     1
 OR {  938}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 73   and name HG1%)
 OR {  938}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 73   and name HG2%)
 OR {  938}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 44   and name HD1%)
 OR {  938}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 44   and name HD1%)
 OR {  938}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
 OR {  938}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 73   and name HG2%)
 OR {  938}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {  940}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      2.900     1.000     1.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.98469E-03 ppm1      0.184 ppm2      8.638 CV     1
 OR {  940}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
 OR {  940}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 86   and name HN  ))
 ASSI {  950}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 72   and name HD1%)
      3.800     1.800     1.800 peak   950 spectrum    1 weight  0.10000E+01 volume  0.13025E-02 ppm1      1.728 ppm2      0.895 CV     1
 OR {  950}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 41   and name HD2%)
 ASSI {  957}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 64   and name HB  ))
      2.800     2.800     3.200 peak   957 spectrum    1 weight  0.10000E+01 volume  0.12037E-01 ppm1      1.742 ppm2      1.641 CV     1
 OR {  957}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 41   and name HG  ))
 ASSI {  958}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 55   and name HB% )
      3.800     1.800     1.800 peak   958 spectrum    1 weight  0.10000E+01 volume  0.50152E-03 ppm1      1.733 ppm2      1.283 CV     1
 OR {  958}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 72   and name HG12))
 OR {  958}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 61   and name HG12))
 ASSI {  979}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HB  ))
      4.400     2.400     1.600 peak   979 spectrum    1 weight  0.10000E+01 volume  0.81811E-03 ppm1      5.255 ppm2      2.404 CV     1
 OR {  979}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 ASSI {  985}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
      3.600     1.600     1.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.78855E-03 ppm1      5.258 ppm2      0.568 CV     1
 OR {  985}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
 OR {  985}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {  990}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.13976E-02 ppm1      1.669 ppm2      2.124 CV     1
 OR {  990}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  990}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 70   and name HB3 ))
 OR {  990}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  994}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 27   and name HB% )
      4.200     2.200     1.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.39938E-03 ppm1      1.665 ppm2      1.178 CV     1
 OR {  994}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 39   and name HG  ))
 OR {  994}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 65   and name HB3 ))
 OR {  994}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 27   and name HB% )
 OR {  994}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 27   and name HB% )
 ASSI {  995}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   995 spectrum    1 weight  0.10000E+01 volume  0.10147E-02 ppm1      1.683 ppm2      0.771 CV     1
 OR {  995}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 17   and name HG2%)
 OR {  995}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 17   and name HG2%)
 ASSI {  999}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak   999 spectrum    1 weight  0.10000E+01 volume  0.40581E-02 ppm1      1.660 ppm2      5.254 CV     1
 OR {  999}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  999}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 1005}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HD1%)
      2.700     0.900     0.900 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.31944E-02 ppm1      4.291 ppm2      0.559 CV     1
 OR { 1005}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI { 1028}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      3.700     1.700     1.700 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.12215E-02 ppm1      4.267 ppm2      1.859 CV     1
 OR { 1028}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
 ASSI { 1033}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
      3.600     1.600     1.600 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.11650E-02 ppm1      4.274 ppm2      0.588 CV     1
 OR { 1033}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 26   and name HB% )
 ASSI { 1038}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 61   and name HD1%)
      4.200     2.200     1.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.10511E-02 ppm1      1.816 ppm2      0.568 CV     1
 OR { 1038}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 1039}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 61   and name HB  ))
      3.900     3.900     2.100 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.13361E-02 ppm1      1.816 ppm2      1.701 CV     1
 OR { 1039}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI { 1042}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 93   and name HD1%)
      2.300     0.700     0.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.89086E-02 ppm1      1.648 ppm2      0.949 CV     1
 OR { 1042}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 OR { 1042}
   (( segid "    " and resid 5    and name HB3 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1045}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
      4.100     2.100     1.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.41654E-03 ppm1      5.346 ppm2      1.693 CV     1
 OR { 1045}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1046}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
      3.000     1.100     1.100 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.19690E-02 ppm1      5.341 ppm2      2.349 CV     1
 OR { 1046}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 OR { 1046}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI { 1048}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      3.100     1.200     1.200 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      5.341 ppm2      1.880 CV     1
 OR { 1048}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG3 ))
 ASSI { 1049}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HG  ))
      4.600     2.600     1.400 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.46118E-03 ppm1      5.342 ppm2      1.733 CV     1
 OR { 1049}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
 ASSI { 1052}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      4.200     2.300     1.800 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.10559E-02 ppm1      2.201 ppm2      7.324 CV     1
 OR { 1052}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1054}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      1.871 ppm2      7.334 CV     1
 OR { 1054}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1070}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 92   and name HB3 ))
      3.300     1.400     1.400 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.51073E-03 ppm1      1.643 ppm2      3.908 CV     1
 OR { 1070}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 92   and name HB2 ))
 OR { 1070}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 92   and name HB3 ))
 OR { 1070}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 92   and name HB2 ))
 OR { 1070}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 1076}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     3.400     2.600 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.12138E-02 ppm1      1.660 ppm2      8.324 CV     1
 OR { 1076}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
 OR { 1076}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 OR { 1076}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1077}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
      4.700     2.800     1.300 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.41045E-03 ppm1      1.863 ppm2      2.343 CV     1
 OR { 1077}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR { 1077}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR { 1077}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI { 1102}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 21   and name HG2 ))
      3.400     1.500     1.500 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.25342E-02 ppm1      1.109 ppm2      2.349 CV     1
 OR { 1102}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 21   and name HG3 ))
 OR { 1102}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1103}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 21   and name HB3 ))
      2.600     0.900     0.900 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.42674E-02 ppm1      1.111 ppm2      1.863 CV     1
 OR { 1103}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HB3 ))
 ASSI { 1131}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      1.800     0.400     0.400 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.14161E-01 ppm1      2.547 ppm2      2.197 CV     1
 OR { 1131}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HG3 ))
 OR { 1131}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 1144}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 61   and name HG2%)
      3.800     1.800     1.800 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.83693E-03 ppm1      2.201 ppm2      0.897 CV     1
 OR { 1144}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 41   and name HD2%)
 ASSI { 1149}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      4.100     2.100     1.900 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.56902E-03 ppm1      2.196 ppm2      4.339 CV     1
 OR { 1149}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1152}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.800     1.800     1.800 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.13510E-02 ppm1      2.202 ppm2      3.880 CV     1
 OR { 1152}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 1170}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      1.800     0.400     0.400 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.15074E-01 ppm1      2.330 ppm2      2.215 CV     1
 OR { 1170}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 1171}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.200     3.200     2.800 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.35813E-02 ppm1      2.331 ppm2      2.087 CV     1
 OR { 1171}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI { 1174}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 62   and name HD2 ))
      4.100     2.100     1.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.87799E-03 ppm1      2.339 ppm2      1.760 CV     1
 OR { 1174}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 62   and name HD3 ))
 OR { 1174}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 24   and name HG  ))
 ASSI { 1176}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 20   and name HG2%)
      4.500     2.500     1.500 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.56707E-03 ppm1      2.343 ppm2      0.713 CV     1
 OR { 1176}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI { 1197}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 40   and name HG2 ))
      3.800     1.800     1.800 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.10611E-02 ppm1      0.571 ppm2      2.198 CV     1
 OR { 1197}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 25   and name HB3 ))
 OR { 1197}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 40   and name HG3 ))
 ASSI { 1198}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 41   and name HB3 ))
      4.500     2.500     1.500 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.64983E-03 ppm1      0.573 ppm2      1.994 CV     1
 OR { 1198}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1205}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 27   and name HA  ))
      4.000     2.000     2.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.51924E-03 ppm1      0.571 ppm2      4.991 CV     1
 OR { 1205}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1208}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 20   and name HA  ))
      4.400     2.400     1.600 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.59081E-03 ppm1      0.568 ppm2      4.300 CV     1
 OR { 1208}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1214}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.100     1.200     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.23405E-02 ppm1      4.427 ppm2      2.006 CV     1
 OR { 1214}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
 ASSI { 1215}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      4.500     2.500     1.500 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.50007E-03 ppm1      1.383 ppm2      2.211 CV     1
 OR { 1215}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1221}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 41   and name HD2%)
      3.000     1.100     1.100 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.18491E-02 ppm1      1.384 ppm2      0.907 CV     1
 OR { 1221}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 1224}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
      3.000     1.100     1.100 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.10582E-02 ppm1      1.381 ppm2      0.581 CV     1
 OR { 1224}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI { 1225}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 65   and name HD1%)
      2.100     0.500     0.500 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.10585E-01 ppm1      1.392 ppm2      0.561 CV     1
 OR { 1225}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI { 1228}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.19393E-02 ppm1      1.155 ppm2      4.272 CV     1
 OR { 1228}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1231}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.92905E-03 ppm1      1.159 ppm2      8.844 CV     1
 OR { 1231}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1234}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 61   and name HB  ))
      3.600     1.600     1.600 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.16579E-02 ppm1      1.151 ppm2      1.692 CV     1
 OR { 1234}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 39   and name HB3 ))
 OR { 1234}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 19   and name HG2 ))
 ASSI { 1237}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 39   and name HD2%)
      3.100     1.200     1.200 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.21056E-02 ppm1      1.148 ppm2      0.329 CV     1
 OR { 1237}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 71   and name HG1%)
 ASSI { 1243}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 61   and name HD1%)
      2.100     0.500     0.500 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.10982E-01 ppm1      1.149 ppm2      0.565 CV     1
 OR { 1243}
   (  segid "    " and resid 27   and name HB% )
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 1246}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
      4.200     2.300     1.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.60674E-03 ppm1      5.613 ppm2      1.682 CV     1
 OR { 1246}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
 ASSI { 1247}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      3.300     1.300     1.300 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.16481E-02 ppm1      5.609 ppm2      0.574 CV     1
 OR { 1247}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 87   and name HD1%)
 OR { 1247}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI { 1250}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 46   and name HD2 ))
      4.100     2.100     1.900 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.46755E-03 ppm1      2.815 ppm2      2.988 CV     1
 OR { 1250}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 46   and name HD3 ))
 OR { 1250}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI { 1255}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.900     1.900     1.900 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.93288E-03 ppm1      2.819 ppm2      3.061 CV     1
 OR { 1255}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1265}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
      3.400     3.400     2.600 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.40475E-03 ppm1      2.135 ppm2      2.008 CV     1
 OR { 1265}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 1266}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.800     1.800     1.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.48362E-03 ppm1      2.134 ppm2      1.673 CV     1
 OR { 1266}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HB  ))
 ASSI { 1270}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.200     1.200 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.93904E-03 ppm1      2.771 ppm2      1.664 CV     1
 OR { 1270}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 29   and name HB  ))
 ASSI { 1275}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.300     1.300 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.25930E-02 ppm1      2.153 ppm2      5.255 CV     1
 OR { 1275}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1287}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.900     1.900     1.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      2.139 ppm2      1.378 CV     1
 OR { 1287}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR { 1287}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI { 1290}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 75   and name HG12))
      4.200     2.200     1.800 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.52895E-03 ppm1      5.154 ppm2      0.979 CV     1
 OR { 1290}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HG12))
 ASSI { 1291}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      4.500     2.600     1.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.44544E-03 ppm1      5.134 ppm2      0.835 CV     1
 OR { 1291}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 20   and name HG13))
 ASSI { 1294}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.20077E-02 ppm1      2.052 ppm2      7.700 CV     1
 OR { 1294}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 OR { 1294}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1296}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.91570E-03 ppm1      2.034 ppm2      8.360 CV     1
 OR { 1296}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1319}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 84   and name HA2 ))
      3.800     3.800     2.200 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.96382E-03 ppm1      3.628 ppm2      3.933 CV     1
 OR { 1319}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1320}
   (( segid "    " and resid 37   and name HA2 ))
   (  segid "    " and resid 85   and name HB% )
      3.700     1.700     1.700 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.83625E-03 ppm1      3.619 ppm2      1.490 CV     1
 OR { 1320}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 87   and name HG  ))
 ASSI { 1321}
   (( segid "    " and resid 37   and name HA2 ))
   (  segid "    " and resid 87   and name HD1%)
      3.200     1.300     1.300 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.14067E-02 ppm1      3.619 ppm2      0.554 CV     1
 OR { 1321}
   (( segid "    " and resid 37   and name HA2 ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI { 1322}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 87   and name HG  ))
      3.300     1.300     1.300 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.96559E-03 ppm1      5.144 ppm2      1.498 CV     1
 OR { 1322}
   (( segid "    " and resid 37   and name HA1 ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1323}
   (( segid "    " and resid 37   and name HA1 ))
   (  segid "    " and resid 87   and name HD1%)
      3.800     1.800     1.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.11798E-02 ppm1      5.141 ppm2      0.553 CV     1
 OR { 1323}
   (( segid "    " and resid 37   and name HA1 ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI { 1326}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HD2 ))
      3.600     1.600     1.600 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.97141E-03 ppm1      4.537 ppm2      3.098 CV     1
 OR { 1326}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1343}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 42   and name HG3 ))
      3.900     1.900     1.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.90256E-03 ppm1      0.315 ppm2      1.544 CV     1
 OR { 1343}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 87   and name HG  ))
 OR { 1343}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1344}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 71   and name HB  ))
      3.800     1.800     1.800 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.70628E-03 ppm1      0.317 ppm2      1.438 CV     1
 OR { 1344}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 20   and name HG12))
 ASSI { 1346}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 41   and name HD2%)
      2.900     2.900     3.100 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.57806E-02 ppm1      0.316 ppm2      0.903 CV     1
 OR { 1346}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 1347}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 41   and name HD1%)
      3.200     3.200     2.800 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      0.316 ppm2      0.770 CV     1
 OR { 1347}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1351}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 47   and name HG2 ))
      4.900     3.000     1.100 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.22807E-03 ppm1      0.305 ppm2      1.955 CV     1
 OR { 1351}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1354}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 17   and name HG13))
      2.800     2.800     3.200 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.11513E-02 ppm1      0.314 ppm2      1.331 CV     1
 OR { 1354}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 1355}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 61   and name HG13))
      1.900     1.900     4.100 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.11121E-01 ppm1      0.315 ppm2      1.039 CV     1
 OR { 1355}
   (  segid "    " and resid 71   and name HG1%)
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1356}
   (  segid "    " and resid 71   and name HG1%)
   (  segid "    " and resid 44   and name HG2%)
      2.500     2.500     3.500 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.74680E-02 ppm1      0.315 ppm2      0.828 CV     1
 OR { 1356}
   (  segid "    " and resid 71   and name HG1%)
   (  segid "    " and resid 72   and name HG2%)
 OR { 1356}
   (  segid "    " and resid 71   and name HG1%)
   (  segid "    " and resid 12   and name HD1%)
 ASSI { 1357}
   (  segid "    " and resid 71   and name HG1%)
   (  segid "    " and resid 17   and name HD1%)
      2.300     0.700     0.700 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.68698E-02 ppm1      0.315 ppm2      0.550 CV     1
 OR { 1357}
   (  segid "    " and resid 71   and name HG1%)
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 1387}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
      4.100     2.100     1.900 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.87635E-03 ppm1      1.994 ppm2      0.583 CV     1
 OR { 1387}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI { 1388}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG3 ))
      4.300     2.300     1.700 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.60454E-03 ppm1      4.315 ppm2      2.205 CV     1
 OR { 1388}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 1388}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI { 1394}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      3.700     1.700     1.700 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.14597E-02 ppm1      4.315 ppm2      1.787 CV     1
 OR { 1394}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD3 ))
 ASSI { 1401}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.700     1.700     1.700 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.19731E-02 ppm1      2.085 ppm2      8.739 CV     1
 OR { 1401}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1402}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.21399E-02 ppm1      1.878 ppm2      8.740 CV     1
 OR { 1402}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1412}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 39   and name HD1%)
      4.300     2.300     1.700 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.62505E-03 ppm1      1.945 ppm2      0.603 CV     1
 OR { 1412}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI { 1418}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
      2.700     0.900     0.900 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.30991E-02 ppm1      3.924 ppm2      0.805 CV     1
 OR { 1418}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 1419}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 44   and name HD1%)
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.45633E-02 ppm1      3.925 ppm2      0.584 CV     1
 OR { 1419}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 1424}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      4.000     2.000     2.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.98216E-03 ppm1      3.906 ppm2      3.816 CV     1
 OR { 1424}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1436}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.400     2.400     1.600 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.63511E-03 ppm1      4.102 ppm2      1.787 CV     1
 OR { 1436}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI { 1441}
   (  segid "    " and resid 45   and name HB% )
   (  segid "    " and resid 93   and name HD2%)
      3.500     1.500     1.500 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.15078E-02 ppm1      1.144 ppm2      0.840 CV     1
 OR { 1441}
   (  segid "    " and resid 45   and name HB% )
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 1442}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
      3.300     1.400     1.400 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.18317E-02 ppm1      1.144 ppm2      1.758 CV     1
 OR { 1442}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 47   and name HB3 ))
 OR { 1442}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1447}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.83686E-03 ppm1      3.377 ppm2      4.080 CV     1
 OR { 1447}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1467}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 71   and name HN  ))
      4.100     2.100     1.900 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.45905E-03 ppm1      1.712 ppm2      8.609 CV     1
 OR { 1467}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 71   and name HN  ))
 OR { 1467}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 78   and name HN  ))
 OR { 1467}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 71   and name HN  ))
 OR { 1467}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1468}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     1.500     1.500 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.97121E-03 ppm1      1.729 ppm2      8.310 CV     1
 OR { 1468}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HN  ))
 OR { 1468}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1471}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.800     1.800     1.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.16250E-02 ppm1      1.778 ppm2      2.225 CV     1
 OR { 1471}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1474}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 15   and name HA2 ))
      4.400     2.500     1.600 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.49386E-03 ppm1      1.710 ppm2      3.175 CV     1
 OR { 1474}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 15   and name HA2 ))
 OR { 1474}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 15   and name HA2 ))
 OR { 1474}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HA2 ))
 ASSI { 1475}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HE3 ))
      2.000     0.500     0.500 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.16993E-01 ppm1      1.723 ppm2      3.038 CV     1
 OR { 1475}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR { 1475}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HE2 ))
 OR { 1475}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 77   and name HE2 ))
 OR { 1475}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HE3 ))
 OR { 1475}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HE3 ))
 OR { 1475}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HE3 ))
 OR { 1475}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HE2 ))
 OR { 1475}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HE3 ))
 OR { 1475}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HE3 ))
 OR { 1475}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HE2 ))
 OR { 1475}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 77   and name HE3 ))
 OR { 1475}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HE2 ))
 ASSI { 1477}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 70   and name HG3 ))
      3.200     1.300     1.300 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.19740E-02 ppm1      1.712 ppm2      2.145 CV     1
 OR { 1477}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR { 1477}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR { 1477}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 70   and name HG3 ))
 ASSI { 1479}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 70   and name HB2 ))
      2.900     1.000     1.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.29082E-02 ppm1      1.712 ppm2      2.050 CV     1
 OR { 1479}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR { 1479}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR { 1479}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI { 1481}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 24   and name HD1%)
      3.400     3.400     2.600 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.57321E-03 ppm1      1.713 ppm2      1.114 CV     1
 OR { 1481}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 24   and name HD1%)
 OR { 1481}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR { 1481}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR { 1481}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR { 1481}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 33   and name HB% )
 OR { 1481}
   (( segid "    " and resid 14   and name HD3 ))
   (  segid "    " and resid 33   and name HB% )
 ASSI { 1482}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 18   and name HG2%)
      3.700     1.800     1.800 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.58390E-03 ppm1      1.724 ppm2      0.996 CV     1
 OR { 1482}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1482}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 5    and name HD1%)
 OR { 1482}
   (( segid "    " and resid 9    and name HD3 ))
   (  segid "    " and resid 5    and name HD1%)
 OR { 1482}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 75   and name HG12))
 OR { 1482}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 89   and name HG2%)
 OR { 1482}
   (( segid "    " and resid 14   and name HD3 ))
   (  segid "    " and resid 89   and name HG2%)
 OR { 1482}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 89   and name HG2%)
 ASSI { 1483}
   (( segid "    " and resid 14   and name HD3 ))
   (  segid "    " and resid 72   and name HD1%)
      2.800     1.000     1.000 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.32824E-02 ppm1      1.723 ppm2      0.868 CV     1
 OR { 1483}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 72   and name HD1%)
 OR { 1483}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 61   and name HG2%)
 OR { 1483}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 1484}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 20   and name HG2%)
      2.700     2.700     3.300 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.17604E-02 ppm1      1.726 ppm2      0.718 CV     1
 OR { 1484}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 20   and name HG2%)
 OR { 1484}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 20   and name HD1%)
 OR { 1484}
   (( segid "    " and resid 9    and name HD3 ))
   (  segid "    " and resid 91   and name HD1%)
 OR { 1484}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 91   and name HD1%)
 ASSI { 1503}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 39   and name HB3 ))
      3.000     3.000     3.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.96354E-03 ppm1      0.705 ppm2      1.680 CV     1
 OR { 1503}
   (  segid "    " and resid 91   and name HD1%)
   (  segid "    " and resid 86   and name HB% )
 OR { 1503}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
 OR { 1503}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 46   and name HB3 ))
 ASSI { 1506}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 9    and name HD3 ))
      3.000     1.100     1.100 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.98613E-03 ppm1      0.803 ppm2      1.729 CV     1
 OR { 1506}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 9    and name HD2 ))
 OR { 1506}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 14   and name HB3 ))
 ASSI { 1516}
   (  segid "    " and resid 91   and name HD1%)
   (  segid "    " and resid 39   and name HD2%)
      3.200     3.200     2.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.50685E-03 ppm1      0.701 ppm2      0.304 CV     1
 OR { 1516}
   (  segid "    " and resid 91   and name HD1%)
   (  segid "    " and resid 71   and name HG1%)
 ASSI { 1519}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.54543E-03 ppm1      0.704 ppm2      4.907 CV     1
 OR { 1519}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 1521}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      4.100     2.100     1.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.64001E-03 ppm1      0.804 ppm2      4.904 CV     1
 OR { 1521}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1523}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.300     3.300     2.700 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.47606E-03 ppm1      0.801 ppm2      4.358 CV     1
 OR { 1523}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1530}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      2.600     2.600     3.400 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.19686E-02 ppm1      0.885 ppm2      9.059 CV     1
 OR { 1530}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1537}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 73   and name HG1%)
      2.700     2.700     3.300 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.14388E-02 ppm1      0.881 ppm2      0.557 CV     1
 OR { 1537}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 29   and name HG1%)
 OR { 1537}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 17   and name HD1%)
 ASSI { 1546}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 45   and name HB% )
      2.700     2.700     3.300 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.14420E-02 ppm1      0.883 ppm2      1.119 CV     1
 OR { 1546}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 88   and name HG2%)
 OR { 1546}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 87   and name HB3 ))
 ASSI { 1555}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      3.600     1.600     1.600 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.78526E-03 ppm1      0.908 ppm2      3.796 CV     1
 OR { 1555}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1559}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 44   and name HG12))
      4.000     2.000     2.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.79224E-03 ppm1      0.908 ppm2      1.872 CV     1
 OR { 1559}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 42   and name HB3 ))
 ASSI { 1567}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 29   and name HA  ))
      4.100     2.100     1.900 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.67129E-03 ppm1      0.534 ppm2      4.663 CV     1
 OR { 1567}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1568}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 44   and name HG12))
      4.100     2.100     1.900 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.54180E-03 ppm1      0.531 ppm2      1.853 CV     1
 OR { 1568}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1568}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 19   and name HB3 ))
 ASSI { 1569}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 14   and name HD3 ))
      3.700     3.700     2.300 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.81886E-03 ppm1      0.534 ppm2      1.750 CV     1
 OR { 1569}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 14   and name HD2 ))
 OR { 1569}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1569}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 47   and name HG3 ))
 OR { 1569}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 59   and name HB3 ))
 OR { 1569}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 47   and name HB3 ))
 ASSI { 1570}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 16   and name HB3 ))
      3.900     1.900     1.900 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.11532E-02 ppm1      0.534 ppm2      1.674 CV     1
 OR { 1570}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 16   and name HB2 ))
 OR { 1570}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
 ASSI { 1571}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.11457E-02 ppm1      0.529 ppm2      9.219 CV     1
 OR { 1571}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1572}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.58142E-03 ppm1      0.535 ppm2      8.997 CV     1
 OR { 1572}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
 OR { 1572}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1574}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.52890E-03 ppm1      0.526 ppm2      5.247 CV     1
 OR { 1574}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 1578}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 70   and name HG3 ))
      4.400     2.400     1.600 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.46109E-03 ppm1      0.530 ppm2      2.159 CV     1
 OR { 1578}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1582}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
      2.700     0.900     0.900 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.53333E-02 ppm1      0.530 ppm2      1.169 CV     1
 OR { 1582}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 27   and name HB% )
 ASSI { 1585}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 93   and name HD2%)
      2.600     2.600     3.400 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.11372E-01 ppm1      0.529 ppm2      0.877 CV     1
 OR { 1585}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 72   and name HD1%)
 OR { 1585}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 1588}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 44   and name HG13))
      2.800     2.800     3.200 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.10137E-01 ppm1      0.909 ppm2      0.533 CV     1
 OR { 1588}
   (  segid "    " and resid 41   and name HD2%)
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 1589}
   (  segid "    " and resid 41   and name HD2%)
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.000     1.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.86821E-02 ppm1      0.909 ppm2      0.582 CV     1
 OR { 1589}
   (  segid "    " and resid 41   and name HD2%)
   (  segid "    " and resid 44   and name HD1%)
 ASSI { 1592}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HG3 ))
      4.100     2.100     1.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.45926E-03 ppm1      0.788 ppm2      2.358 CV     1
 OR { 1592}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HG2 ))
 OR { 1592}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HG3 ))
 ASSI { 1594}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 86   and name HB% )
      4.100     2.100     1.900 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.53923E-03 ppm1      0.785 ppm2      1.660 CV     1
 OR { 1594}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
 ASSI { 1598}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      2.900     1.100     1.100 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.35593E-02 ppm1      0.784 ppm2      0.596 CV     1
 OR { 1598}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 29   and name HG1%)
 OR { 1598}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 29   and name HG2%)
 ASSI { 1606}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.14781E-02 ppm1      0.786 ppm2      8.635 CV     1
 OR { 1606}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 1611}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.45682E-03 ppm1      0.790 ppm2      5.154 CV     1
 OR { 1611}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1613}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 19   and name HB2 ))
      4.100     2.200     1.900 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.96115E-03 ppm1      0.685 ppm2      2.022 CV     1
 OR { 1613}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 41   and name HB3 ))
 ASSI { 1616}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
      3.400     1.500     1.500 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.18782E-02 ppm1      0.685 ppm2      1.707 CV     1
 OR { 1616}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 61   and name HB  ))
 ASSI { 1617}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
      3.600     1.600     1.600 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1      0.685 ppm2      1.568 CV     1
 OR { 1617}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 19   and name HG3 ))
 OR { 1617}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 66   and name HG3 ))
 ASSI { 1619}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
      2.800     1.000     1.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.49289E-02 ppm1      0.685 ppm2      1.171 CV     1
 OR { 1619}
   (  segid "    " and resid 20   and name HD1%)
   (  segid "    " and resid 27   and name HB% )
 ASSI { 1622}
   (  segid "    " and resid 20   and name HD1%)
   (  segid "    " and resid 65   and name HD1%)
      2.100     2.100     3.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.33800E-01 ppm1      0.685 ppm2      0.568 CV     1
 OR { 1622}
   (  segid "    " and resid 20   and name HD1%)
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 1627}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.19351E-02 ppm1      0.685 ppm2      4.273 CV     1
 OR { 1627}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1631}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      5.200     3.400     0.800 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.49347E-03 ppm1      0.685 ppm2      9.234 CV     1
 OR { 1631}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1633}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.94677E-03 ppm1      0.686 ppm2      8.822 CV     1
 OR { 1633}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1635}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.500     1.500     1.500 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.79135E-03 ppm1      0.685 ppm2      7.155 CV     1
 OR { 1635}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1644}
   (  segid "    " and resid 44   and name HD1%)
   (  segid "    " and resid 39   and name HD2%)
      2.700     2.700     3.300 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.41357E-02 ppm1      0.580 ppm2      0.335 CV     1
 OR { 1644}
   (  segid "    " and resid 44   and name HD1%)
   (  segid "    " and resid 71   and name HG1%)
 ASSI { 1647}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 25   and name HB3 ))
      3.800     1.800     1.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.41398E-03 ppm1      0.575 ppm2      2.212 CV     1
 OR { 1647}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1650}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
      2.400     0.700     0.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.39767E-02 ppm1      0.573 ppm2      1.393 CV     1
 OR { 1650}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 ASSI { 1656}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.89743E-03 ppm1      0.572 ppm2      4.186 CV     1
 OR { 1656}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1659}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.42070E-03 ppm1      0.574 ppm2      8.293 CV     1
 OR { 1659}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1667}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      4.000     2.000     2.000 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.91714E-03 ppm1      0.870 ppm2      4.979 CV     1
 OR { 1667}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1670}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      0.845 ppm2      8.633 CV     1
 OR { 1670}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1671}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
      4.400     2.500     1.600 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.48168E-03 ppm1      0.846 ppm2      8.426 CV     1
 OR { 1671}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 1673}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      4.100     2.100     1.900 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.82105E-03 ppm1      0.845 ppm2      5.155 CV     1
 OR { 1673}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1689}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      3.500     1.500     1.500 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.24476E-02 ppm1      0.842 ppm2      7.679 CV     1
 OR { 1689}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 1690}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.900     0.900 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.46519E-02 ppm1      0.841 ppm2      9.064 CV     1
 OR { 1690}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1691}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      4.400     2.400     1.600 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.46986E-03 ppm1      0.848 ppm2      8.283 CV     1
 OR { 1691}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 1692}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      3.600     1.600     1.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.83501E-03 ppm1      0.845 ppm2      5.322 CV     1
 OR { 1692}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1693}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
      3.900     1.900     1.900 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.98045E-03 ppm1      0.847 ppm2      5.169 CV     1
 OR { 1693}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 1694}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      4.100     2.200     1.900 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.10622E-02 ppm1      0.844 ppm2      4.663 CV     1
 OR { 1694}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1695}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 92   and name HB2 ))
      3.600     1.700     1.700 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.12073E-02 ppm1      0.844 ppm2      3.923 CV     1
 OR { 1695}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 92   and name HB3 ))
 OR { 1695}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1698}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 14   and name HE2 ))
      4.300     2.300     1.700 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.51740E-03 ppm1      0.841 ppm2      2.975 CV     1
 OR { 1698}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 14   and name HE3 ))
 OR { 1698}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 46   and name HD3 ))
 ASSI { 1701}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 74   and name HG3 ))
      3.800     1.800     1.800 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.39960E-03 ppm1      0.856 ppm2      2.327 CV     1
 OR { 1701}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 74   and name HG3 ))
 OR { 1701}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1701}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1703}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HB  ))
      2.100     0.500     0.500 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.13831E-01 ppm1      0.845 ppm2      1.914 CV     1
 OR { 1703}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 91   and name HB  ))
 ASSI { 1705}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 12   and name HG13))
      2.700     0.900     0.900 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.38637E-02 ppm1      0.844 ppm2      1.494 CV     1
 OR { 1705}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 14   and name HG2 ))
 ASSI { 1706}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 91   and name HG13))
      2.800     1.000     1.000 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.49482E-02 ppm1      0.844 ppm2      1.410 CV     1
 OR { 1706}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 65   and name HG  ))
 ASSI { 1708}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 45   and name HB% )
      3.200     1.300     1.300 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.33347E-02 ppm1      0.839 ppm2      1.158 CV     1
 OR { 1708}
   (  segid "    " and resid 91   and name HG2%)
   (  segid "    " and resid 88   and name HG2%)
 OR { 1708}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 65   and name HB3 ))
 ASSI { 1714}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 74   and name HB3 ))
      3.000     1.100     1.100 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.38212E-02 ppm1      0.774 ppm2      1.938 CV     1
 OR { 1714}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 72   and name HB  ))
 OR { 1714}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR { 1714}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1715}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 14   and name HB3 ))
      3.100     3.100     2.900 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      0.773 ppm2      1.761 CV     1
 OR { 1715}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 9    and name HD3 ))
 OR { 1715}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 9    and name HD2 ))
 OR { 1715}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 62   and name HD3 ))
 ASSI { 1716}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 16   and name HB3 ))
      3.500     1.500     1.500 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.21674E-02 ppm1      0.773 ppm2      1.669 CV     1
 OR { 1716}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 66   and name HB3 ))
 OR { 1716}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
 OR { 1716}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 19   and name HG2 ))
 ASSI { 1717}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HB  ))
      2.100     0.500     0.500 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.12662E-01 ppm1      0.773 ppm2      1.544 CV     1
 OR { 1717}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 17   and name HG12))
 ASSI { 1718}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      4.900     3.000     1.100 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.40615E-03 ppm1      0.770 ppm2      5.251 CV     1
 OR { 1718}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 1719}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      3.900     1.900     1.900 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.92487E-03 ppm1      0.773 ppm2      5.129 CV     1
 OR { 1719}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1724}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.53716E-03 ppm1      0.773 ppm2      8.642 CV     1
 OR { 1724}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
 OR { 1724}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 1725}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.900     0.900 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.39160E-02 ppm1      0.773 ppm2      7.392 CV     1
 OR { 1725}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1726}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 13   and name HD% )
      3.900     1.900     1.900 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.69184E-03 ppm1      0.776 ppm2      7.100 CV     1
 OR { 1726}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 28   and name HD% )
 ASSI { 1738}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 17   and name HD1%)
      2.600     0.900     0.900 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.11294E-01 ppm1      0.773 ppm2      0.559 CV     1
 OR { 1738}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 65   and name HD1%)
 OR { 1738}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 1742}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 69   and name HB3 ))
      3.000     3.000     3.000 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.73160E-03 ppm1      0.380 ppm2      2.079 CV     1
 OR { 1742}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 70   and name HB3 ))
 ASSI { 1743}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 17   and name HG12))
      3.400     1.400     1.400 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.82441E-03 ppm1      0.382 ppm2      1.544 CV     1
 OR { 1743}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 87   and name HG  ))
 ASSI { 1746}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 27   and name HB% )
      3.700     1.700     1.700 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.51121E-03 ppm1      0.381 ppm2      1.184 CV     1
 OR { 1746}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 39   and name HG  ))
 ASSI { 1748}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 93   and name HD2%)
      3.100     1.200     1.200 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.30763E-02 ppm1      0.374 ppm2      0.841 CV     1
 OR { 1748}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 72   and name HG2%)
 ASSI { 1749}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 73   and name HG2%)
      2.100     0.500     0.500 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.15694E-01 ppm1      0.374 ppm2      0.561 CV     1
 OR { 1749}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 73   and name HG1%)
 OR { 1749}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 17   and name HD1%)
 OR { 1749}
   (  segid "    " and resid 71   and name HG2%)
   (  segid "    " and resid 29   and name HG2%)
 ASSI { 1751}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 22   and name HG2 ))
      4.100     2.100     1.900 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.75658E-03 ppm1      0.706 ppm2      2.340 CV     1
 OR { 1751}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 21   and name HG3 ))
 OR { 1751}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1754}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 61   and name HB  ))
      3.500     1.500     1.500 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.18648E-02 ppm1      0.706 ppm2      1.715 CV     1
 OR { 1754}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 62   and name HD3 ))
 ASSI { 1765}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 22   and name HD2 ))
      3.600     1.600     1.600 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.18874E-02 ppm1      0.706 ppm2      3.905 CV     1
 OR { 1765}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1766}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      4.300     2.300     1.700 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.54045E-03 ppm1      0.705 ppm2      3.793 CV     1
 OR { 1766}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1768}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.14928E-02 ppm1      0.371 ppm2      5.247 CV     1
 OR { 1768}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1769}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 15   and name HA1 ))
      3.400     1.400     1.400 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.51135E-03 ppm1      0.372 ppm2      5.010 CV     1
 OR { 1769}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1788}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 90   and name HA  ))
      4.000     2.000     2.000 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.56322E-03 ppm1      1.147 ppm2      4.667 CV     1
 OR { 1788}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1792}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.61373E-03 ppm1      1.417 ppm2      3.917 CV     1
 OR { 1792}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 96   and name HB2 ))
 OR { 1792}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 96   and name HB3 ))
 ASSI { 1793}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 74   and name HG3 ))
      3.700     1.700     1.700 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.72538E-03 ppm1      1.413 ppm2      2.311 CV     1
 OR { 1793}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1797}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 6    and name HB2 ))
      2.600     2.600     3.400 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.18147E-02 ppm1      1.435 ppm2      2.103 CV     1
 OR { 1797}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 44   and name HB  ))
 ASSI { 1798}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 9    and name HB2 ))
      2.800     2.800     3.200 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.13621E-02 ppm1      1.427 ppm2      1.906 CV     1
 OR { 1798}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 91   and name HB  ))
 ASSI { 1799}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.500     1.500 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.15453E-02 ppm1      1.421 ppm2      1.785 CV     1
 OR { 1799}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 47   and name HB3 ))
 OR { 1799}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1800}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 12   and name HB  ))
      2.400     2.400     3.600 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.13413E-01 ppm1      1.434 ppm2      1.523 CV     1
 OR { 1800}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 12   and name HG13))
 OR { 1800}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 75   and name HG13))
 ASSI { 1805}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
      3.700     1.700     1.700 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.95642E-03 ppm1      1.143 ppm2      5.160 CV     1
 OR { 1805}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 1810}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      2.900     1.000     1.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.25928E-02 ppm1      1.143 ppm2      1.944 CV     1
 OR { 1810}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 74   and name HB3 ))
 OR { 1810}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 91   and name HB  ))
 ASSI { 1824}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 75   and name HG13))
      3.600     3.600     2.400 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.82420E-03 ppm1      1.104 ppm2      1.547 CV     1
 OR { 1824}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 87   and name HG  ))
 ASSI { 1836}
   (( segid "    " and resid 79   and name HG3 ))
   (  segid "    " and resid 33   and name HB% )
      3.300     3.300     2.700 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.54973E-03 ppm1      2.331 ppm2      1.113 CV     1
 OR { 1836}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 33   and name HB% )
 OR { 1836}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 87   and name HB3 ))
 OR { 1836}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI { 1837}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.55484E-02 ppm1      1.411 ppm2      8.292 CV     1
 OR { 1837}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1838}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 74   and name HE21))
      3.300     1.300     1.300 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.15844E-02 ppm1      1.410 ppm2      7.357 CV     1
 OR { 1838}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1845}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.500     1.500 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.79785E-03 ppm1      1.433 ppm2      7.851 CV     1
 OR { 1845}
   (  segid "    " and resid 94   and name HB% )
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 1847}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.29754E-02 ppm1      0.572 ppm2      8.994 CV     1
 OR { 1847}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1855}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
      4.100     2.100     1.900 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.73010E-03 ppm1      0.572 ppm2      4.994 CV     1
 OR { 1855}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 15   and name HA1 ))
 ASSI { 1859}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.25752E-02 ppm1      0.565 ppm2      8.995 CV     1
 OR { 1859}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 1860}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      3.500     1.500     1.500 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.12474E-02 ppm1      0.564 ppm2      5.271 CV     1
 OR { 1860}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1862}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HB2 ))
      3.200     3.200     2.800 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.26739E-02 ppm1      2.341 ppm2      1.893 CV     1
 OR { 1862}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 80   and name HB2 ))
 OR { 1862}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 83   and name HB3 ))
 OR { 1862}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 80   and name HB2 ))
 OR { 1862}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI { 1867}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.18144E-02 ppm1      0.107 ppm2      7.172 CV     1
 OR { 1867}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1870}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.56388E-02 ppm1      0.362 ppm2      7.178 CV     1
 OR { 1870}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1871}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 49   and name HE% )
      2.600     2.600     3.400 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.20021E-02 ppm1      0.362 ppm2      7.090 CV     1
 OR { 1871}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 53   and name HD% )
 ASSI { 1873}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 50   and name HD3 ))
      2.800     2.800     3.200 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.12389E-02 ppm1      0.361 ppm2      4.162 CV     1
 OR { 1873}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
 OR { 1873}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1876}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 60   and name HB2 ))
      3.100     1.200     1.200 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.15143E-02 ppm1      0.362 ppm2      2.844 CV     1
 OR { 1876}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1889}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 15   and name HA2 ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.27876E-02 ppm1      0.564 ppm2      3.153 CV     1
 OR { 1889}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1915}
   (  segid "    " and resid 64   and name HG1%)
   (  segid "    " and resid 89   and name HG2%)
      2.300     2.300     3.700 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.86342E-02 ppm1      0.106 ppm2      0.951 CV     1
 OR { 1915}
   (  segid "    " and resid 64   and name HG1%)
   (  segid "    " and resid 93   and name HD1%)
 ASSI { 1924}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 71   and name HB  ))
      2.700     2.700     3.300 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.14792E-02 ppm1      0.973 ppm2      1.435 CV     1
 OR { 1924}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 91   and name HG13))
 ASSI { 1936}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 87   and name HG  ))
      3.600     1.600     1.600 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      0.571 ppm2      1.547 CV     1
 OR { 1936}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 17   and name HG12))
 ASSI { 1940}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 93   and name HD2%)
      2.400     2.400     3.600 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.12362E-01 ppm1      0.618 ppm2      0.876 CV     1
 OR { 1940}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 72   and name HD1%)
 ASSI { 1941}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 17   and name HG2%)
      2.100     2.100     3.900 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.18793E-01 ppm1      0.573 ppm2      0.771 CV     1
 OR { 1941}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1950}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      3.900     1.900     1.900 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.54384E-03 ppm1      0.597 ppm2      8.997 CV     1
 OR { 1950}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 1953}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.83111E-03 ppm1      0.867 ppm2      7.289 CV     1
 OR { 1953}
   (  segid "    " and resid 93   and name HD2%)
   (  segid "    " and resid 48   and name HD% )
 ASSI { 1959}
   (( segid "    " and resid 25   and name HG3 ))
   (  segid "    " and resid 41   and name HD2%)
      3.200     1.300     1.300 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.13909E-02 ppm1      2.308 ppm2      0.889 CV     1
 OR { 1959}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 41   and name HD2%)
 OR { 1959}
   (( segid "    " and resid 25   and name HG3 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 1963}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
      3.900     1.900     1.900 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.91468E-03 ppm1      0.613 ppm2      5.132 CV     1
 OR { 1963}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 37   and name HA1 ))
 ASSI { 1965}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 89   and name HA  ))
      3.900     1.900     1.900 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.93788E-03 ppm1      0.611 ppm2      5.173 CV     1
 OR { 1965}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 1967}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.61874E-03 ppm1      0.607 ppm2      4.644 CV     1
 OR { 1967}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1968}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 40   and name HD3 ))
      3.600     1.600     1.600 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.17023E-02 ppm1      0.610 ppm2      3.817 CV     1
 OR { 1968}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 1975}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      4.500     2.500     1.500 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.53580E-03 ppm1      0.797 ppm2      4.653 CV     1
 OR { 1975}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1979}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.000     1.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.27587E-02 ppm1      0.794 ppm2      3.797 CV     1
 OR { 1979}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 1984}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 40   and name HD2 ))
      3.800     1.800     1.800 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.11624E-02 ppm1      0.606 ppm2      3.904 CV     1
 OR { 1984}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1989}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 43   and name HG3 ))
      4.100     2.100     1.900 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.72428E-03 ppm1      0.608 ppm2      2.187 CV     1
 OR { 1989}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 40   and name HG3 ))
 OR { 1989}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 40   and name HG2 ))
 ASSI { 1990}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
      3.600     1.600     1.600 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.10807E-02 ppm1      0.613 ppm2      1.397 CV     1
 OR { 1990}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 65   and name HG  ))
 OR { 1990}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
 OR { 1990}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 91   and name HG13))
 ASSI { 1993}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      3.300     1.400     1.400 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.16212E-02 ppm1      0.608 ppm2      1.945 CV     1
 OR { 1993}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 1997}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.700     2.700     3.300 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.68555E-02 ppm1      0.610 ppm2      0.793 CV     1
 OR { 1997}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 41   and name HD1%)
 OR { 1997}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 12   and name HD1%)
 ASSI { 2000}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 14   and name HE2 ))
      3.100     3.100     2.900 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.70396E-03 ppm1      0.864 ppm2      2.979 CV     1
 OR { 2000}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 14   and name HE3 ))
 OR { 2000}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 46   and name HD2 ))
 ASSI { 2001}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 70   and name HB2 ))
      2.600     2.600     3.400 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.20560E-02 ppm1      0.864 ppm2      2.051 CV     1
 OR { 2001}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 69   and name HB3 ))
 ASSI { 2008}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
      2.700     0.900     0.900 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.30064E-02 ppm1      0.794 ppm2      2.001 CV     1
 OR { 2008}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB3 ))
 OR { 2008}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2011}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 71   and name HB  ))
      2.900     1.100     1.100 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.23453E-02 ppm1      0.864 ppm2      1.417 CV     1
 OR { 2011}
   (  segid "    " and resid 93   and name HD2%)
   (  segid "    " and resid 94   and name HB% )
 ASSI { 2014}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 44   and name HD1%)
      2.100     0.500     0.500 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.13602E-01 ppm1      0.793 ppm2      0.597 CV     1
 OR { 2014}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 2018}
   (  segid "    " and resid 93   and name HD2%)
   (  segid "    " and resid 65   and name HD2%)
      1.700     1.700     4.300 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.21101E-01 ppm1      0.884 ppm2      0.629 CV     1
 OR { 2018}
   (  segid "    " and resid 93   and name HD2%)
   (  segid "    " and resid 39   and name HD1%)
 ASSI { 2028}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 29   and name HB  ))
      3.300     1.400     1.400 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.17339E-02 ppm1      1.010 ppm2      1.663 CV     1
 OR { 2028}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
 OR { 2028}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 2036}
   (  segid "    " and resid 93   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      3.100     3.100     2.900 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.10067E-02 ppm1      0.947 ppm2      1.865 CV     1
 OR { 2036}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
 OR { 2036}
   (  segid "    " and resid 93   and name HD1%)
   (( segid "    " and resid 44   and name HG12))
 ASSI { 2041}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.15074E-02 ppm1      2.324 ppm2      1.619 CV     1
 OR { 2041}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 35   and name HB2 ))
 OR { 2041}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HB2 ))
 OR { 2041}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 41   and name HG  ))
 ASSI { 2046}
   (( segid "    " and resid 78   and name HG3 ))
   (  segid "    " and resid 86   and name HB% )
      3.300     1.400     1.400 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.16389E-02 ppm1      2.342 ppm2      1.687 CV     1
 OR { 2046}
   (( segid "    " and resid 78   and name HG2 ))
   (  segid "    " and resid 86   and name HB% )
 OR { 2046}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HG2 ))
 OR { 2046}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 86   and name HB% )
 OR { 2046}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 2052}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 39   and name HB3 ))
      2.500     0.800     0.800 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.60564E-02 ppm1      0.542 ppm2      1.676 CV     1
 OR { 2052}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
 ASSI { 2055}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 89   and name HG2%)
      2.300     2.300     3.700 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.13571E-01 ppm1      0.544 ppm2      0.950 CV     1
 OR { 2055}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 89   and name HG2%)
 OR { 2055}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 75   and name HG12))
 ASSI { 2056}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 44   and name HG2%)
      2.100     2.100     3.900 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.77554E-02 ppm1      0.543 ppm2      0.852 CV     1
 OR { 2056}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 61   and name HG2%)
 OR { 2056}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 93   and name HD2%)
 ASSI { 2060}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
      2.300     0.700     0.700 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.82721E-02 ppm1      0.545 ppm2      1.174 CV     1
 OR { 2060}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 27   and name HB% )
 ASSI { 2061}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 71   and name HG2%)
      2.200     2.200     3.800 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.99454E-02 ppm1      0.545 ppm2      0.355 CV     1
 OR { 2061}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 71   and name HG2%)
 ASSI { 2092}
   (( segid "    " and resid 20   and name HG13))
   (( segid "    " and resid 19   and name HG3 ))
      4.400     2.400     1.600 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.51724E-03 ppm1      0.819 ppm2      1.575 CV     1
 OR { 2092}
   (( segid "    " and resid 20   and name HG13))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI { 2098}
   (( segid "    " and resid 20   and name HG13))
   (  segid "    " and resid 61   and name HD1%)
      3.500     1.600     1.600 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.23409E-02 ppm1      0.822 ppm2      0.575 CV     1
 OR { 2098}
   (( segid "    " and resid 20   and name HG13))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 2133}
   (( segid "    " and resid 17   and name HG13))
   (  segid "    " and resid 17   and name HD1%)
      2.700     0.900     0.900 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.26685E-02 ppm1      1.332 ppm2      0.555 CV     1
 OR { 2133}
   (( segid "    " and resid 17   and name HG13))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 2148}
   (( segid "    " and resid 72   and name HG12))
   (( segid "    " and resid 73   and name HN  ))
      4.500     2.600     1.500 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.49284E-03 ppm1      1.274 ppm2      9.054 CV     1
 OR { 2148}
   (( segid "    " and resid 72   and name HG12))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 2153}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HN  ))
      3.500     1.600     1.600 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.54753E-03 ppm1      1.393 ppm2      7.154 CV     1
 OR { 2153}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2161}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.49781E-03 ppm1      1.509 ppm2      5.151 CV     1
 OR { 2161}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 37   and name HA1 ))
 ASSI { 2163}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 29   and name HA  ))
      4.700     2.700     1.300 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.47371E-03 ppm1      1.558 ppm2      4.660 CV     1
 OR { 2163}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 71   and name HA  ))
 OR { 2163}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2166}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 21   and name HG3 ))
      3.500     1.500     1.500 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.11352E-02 ppm1      1.563 ppm2      2.352 CV     1
 OR { 2166}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR { 2166}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 79   and name HG2 ))
 OR { 2166}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI { 2174}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.63370E-03 ppm1      1.574 ppm2      4.091 CV     1
 OR { 2174}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
 OR { 2174}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 45   and name HA  ))
 OR { 2174}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2178}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 34   and name HG3 ))
      3.600     1.600     1.600 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.15001E-02 ppm1      1.576 ppm2      2.248 CV     1
 OR { 2178}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 67   and name HG3 ))
 OR { 2178}
   (( segid "    " and resid 66   and name HG3 ))
   (( segid "    " and resid 67   and name HG3 ))
 OR { 2178}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2179}
   (( segid "    " and resid 17   and name HG12))
   (  segid "    " and resid 17   and name HD1%)
      2.500     0.800     0.800 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.31565E-02 ppm1      1.526 ppm2      0.556 CV     1
 OR { 2179}
   (( segid "    " and resid 17   and name HG12))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 2188}
   (( segid "    " and resid 72   and name HG13))
   (  segid "    " and resid 45   and name HB% )
      3.400     3.400     2.600 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.19330E-02 ppm1      1.637 ppm2      1.151 CV     1
 OR { 2188}
   (( segid "    " and resid 72   and name HG13))
   (  segid "    " and resid 88   and name HG2%)
 ASSI { 2196}
   (( segid "    " and resid 41   and name HG  ))
   (  segid "    " and resid 44   and name HD1%)
      3.700     1.700     1.700 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.16162E-02 ppm1      1.634 ppm2      0.586 CV     1
 OR { 2196}
   (( segid "    " and resid 41   and name HG  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 2207}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 79   and name HG2 ))
      3.600     1.600     1.600 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11476E-02 ppm1      1.687 ppm2      2.322 CV     1
 OR { 2207}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 79   and name HG3 ))
 OR { 2207}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI { 2215}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 18   and name HN  ))
      4.800     2.900     1.200 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.45058E-03 ppm1      1.540 ppm2      9.230 CV     1
 OR { 2215}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2217}
   (( segid "    " and resid 72   and name HG13))
   (( segid "    " and resid 73   and name HN  ))
      4.800     2.900     1.200 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.44607E-03 ppm1      1.627 ppm2      9.053 CV     1
 OR { 2217}
   (( segid "    " and resid 72   and name HG13))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 2249}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.14755E-02 ppm1      1.365 ppm2      5.251 CV     1
 OR { 2249}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 2250}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.14855E-02 ppm1      1.323 ppm2      5.251 CV     1
 OR { 2250}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 2257}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 72   and name HD1%)
      3.100     1.200     1.200 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.17819E-02 ppm1      1.466 ppm2      0.885 CV     1
 OR { 2257}
   (( segid "    " and resid 62   and name HG3 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 2258}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 73   and name HG2%)
      4.100     2.100     1.900 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.61923E-03 ppm1      1.459 ppm2      0.576 CV     1
 OR { 2258}
   (( segid "    " and resid 62   and name HG3 ))
   (  segid "    " and resid 61   and name HD1%)
 OR { 2258}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR { 2258}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 73   and name HG1%)
 ASSI { 2262}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 70   and name HG3 ))
      4.100     2.100     1.900 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.95088E-03 ppm1      1.370 ppm2      2.134 CV     1
 OR { 2262}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 70   and name HG3 ))
 ASSI { 2264}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.000     0.500     0.500 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.14934E-01 ppm1      1.392 ppm2      1.708 CV     1
 OR { 2264}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HD2 ))
 OR { 2264}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HB3 ))
 OR { 2264}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HD3 ))
 ASSI { 2269}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.48030E-02 ppm1      1.484 ppm2      4.343 CV     1
 OR { 2269}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HA  ))
 OR { 2269}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 2269}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 2273}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 6    and name HG2 ))
      3.700     1.700     1.700 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.78026E-03 ppm1      1.479 ppm2      2.330 CV     1
 OR { 2273}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 6    and name HG3 ))
 OR { 2273}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 6    and name HG3 ))
 OR { 2273}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 6    and name HG2 ))
 OR { 2273}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR { 2273}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 2275}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HD3 ))
      1.600     0.300     0.600 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.63114E-01 ppm1      1.471 ppm2      1.732 CV     1
 OR { 2275}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HD2 ))
 OR { 2275}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR { 2275}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR { 2275}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HD2 ))
 OR { 2275}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HD3 ))
 OR { 2275}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI { 2282}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.700     1.700     1.700 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.19050E-02 ppm1      1.551 ppm2      2.197 CV     1
 OR { 2282}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 43   and name HG3 ))
 OR { 2282}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 40   and name HG3 ))
 OR { 2282}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 40   and name HG2 ))
 OR { 2282}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI { 2285}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HA  ))
      3.900     1.900     1.900 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      1.455 ppm2      4.182 CV     1
 OR { 2285}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 2307}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 94   and name HB% )
      3.500     3.500     2.500 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.45259E-03 ppm1      1.990 ppm2      1.439 CV     1
 OR { 2307}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 94   and name HB% )
 OR { 2307}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 62   and name HG3 ))
 OR { 2307}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 20   and name HG12))
 ASSI { 2310}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 44   and name HG12))
      2.700     2.700     3.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.12257E-01 ppm1      2.001 ppm2      1.866 CV     1
 OR { 2310}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 44   and name HG12))
 OR { 2310}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI { 2313}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 42   and name HG2 ))
      3.500     3.500     2.500 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.10278E-02 ppm1      1.858 ppm2      1.531 CV     1
 OR { 2313}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 17   and name HG12))
 OR { 2313}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 2319}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 59   and name HG2 ))
      2.900     2.900     3.100 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.84090E-02 ppm1      1.845 ppm2      2.003 CV     1
 OR { 2319}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 41   and name HB3 ))
 OR { 2319}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2320}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.11201E-02 ppm1      1.841 ppm2      1.401 CV     1
 OR { 2320}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 65   and name HG  ))
 ASSI { 2321}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 39   and name HG  ))
      4.000     2.000     2.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.86232E-03 ppm1      1.836 ppm2      1.192 CV     1
 OR { 2321}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 65   and name HB3 ))
 ASSI { 2325}
   (( segid "    " and resid 44   and name HG12))
   (  segid "    " and resid 39   and name HD2%)
      3.500     1.500     1.500 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.74824E-03 ppm1      1.840 ppm2      0.339 CV     1
 OR { 2325}
   (( segid "    " and resid 44   and name HG12))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 2329}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 26   and name HB% )
      4.600     2.600     1.400 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.41200E-03 ppm1      2.205 ppm2      0.587 CV     1
 OR { 2329}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 2337}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HB3 ))
      1.700     0.400     0.500 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.49308E-01 ppm1      2.321 ppm2      2.038 CV     1
 OR { 2337}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB3 ))
 OR { 2337}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 2337}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR { 2337}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI { 2343}
   (( segid "    " and resid 20   and name HG12))
   (( segid "    " and resid 17   and name HG13))
      3.000     1.100     1.100 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.22662E-02 ppm1      1.455 ppm2      1.351 CV     1
 OR { 2343}
   (( segid "    " and resid 20   and name HG12))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI { 2348}
   (( segid "    " and resid 20   and name HG12))
   (  segid "    " and resid 61   and name HD1%)
      2.900     1.100     1.100 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.22353E-02 ppm1      1.449 ppm2      0.572 CV     1
 OR { 2348}
   (( segid "    " and resid 20   and name HG12))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 2349}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 70   and name HA  ))
      3.800     1.800     1.800 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.10871E-02 ppm1      1.708 ppm2      5.250 CV     1
 OR { 2349}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 2349}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 2349}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 2350}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.82372E-03 ppm1      1.725 ppm2      4.886 CV     1
 OR { 2350}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR { 2350}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2351}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.62084E-03 ppm1      1.720 ppm2      4.657 CV     1
 OR { 2351}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
 OR { 2351}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 11   and name HA  ))
 OR { 2351}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR { 2351}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 29   and name HA  ))
 OR { 2351}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 71   and name HA  ))
 OR { 2351}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 2352}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      4.600     2.600     1.400 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.45343E-03 ppm1      1.791 ppm2      4.098 CV     1
 OR { 2352}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 2354}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.500     1.500 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.12274E-02 ppm1      1.724 ppm2      4.190 CV     1
 OR { 2354}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HA  ))
 OR { 2354}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HA  ))
 OR { 2354}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 2355}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.500     1.500     1.500 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.45524E-03 ppm1      1.724 ppm2      3.914 CV     1
 OR { 2355}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 22   and name HD2 ))
 OR { 2355}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 96   and name HB2 ))
 OR { 2355}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 96   and name HB3 ))
 OR { 2355}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 92   and name HB3 ))
 ASSI { 2356}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 61   and name HD1%)
      4.100     2.100     1.900 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.46856E-03 ppm1      1.718 ppm2      0.574 CV     1
 OR { 2356}
   (( segid "    " and resid 14   and name HD3 ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 2356}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR { 2356}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR { 2356}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 2356}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 29   and name HG1%)
 OR { 2356}
   (( segid "    " and resid 14   and name HD3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR { 2356}
   (( segid "    " and resid 14   and name HD3 ))
   (  segid "    " and resid 73   and name HG1%)
 OR { 2356}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 73   and name HG1%)
 OR { 2356}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 44   and name HD1%)
 OR { 2356}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 29   and name HG2%)
 OR { 2356}
   (( segid "    " and resid 14   and name HD3 ))
   (  segid "    " and resid 29   and name HG2%)
 OR { 2356}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 29   and name HG2%)
 OR { 2356}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 29   and name HG2%)
 OR { 2356}
   (( segid "    " and resid 62   and name HD3 ))
   (  segid "    " and resid 65   and name HD1%)
 OR { 2356}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 44   and name HD1%)
 ASSI { 2358}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HG2 ))
      1.500     0.300     0.700 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.10576E+00 ppm1      1.731 ppm2      1.497 CV     1
 OR { 2358}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 14   and name HG2 ))
 OR { 2358}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR { 2358}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR { 2358}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG2 ))
 OR { 2358}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR { 2358}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR { 2358}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI { 2367}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 9    and name HD2 ))
      3.500     1.500     1.500 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.14024E-02 ppm1      2.073 ppm2      1.707 CV     1
 OR { 2367}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 9    and name HD3 ))
 OR { 2367}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI { 2369}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
      4.300     2.300     1.700 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.69978E-03 ppm1      2.008 ppm2      4.549 CV     1
 OR { 2369}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2373}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 9    and name HB3 ))
      3.100     3.100     2.900 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.19677E-02 ppm1      2.002 ppm2      1.801 CV     1
 OR { 2373}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI { 2375}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 9    and name HD2 ))
      3.400     1.500     1.500 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.14785E-02 ppm1      2.008 ppm2      1.704 CV     1
 OR { 2375}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 9    and name HD3 ))
 OR { 2375}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR { 2375}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 5    and name HB3 ))
 ASSI { 2376}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 85   and name HB% )
      4.300     2.300     1.700 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.52464E-03 ppm1      2.142 ppm2      1.484 CV     1
 OR { 2376}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 77   and name HG2 ))
 OR { 2376}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI { 2377}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 9    and name HG2 ))
      3.500     1.500     1.500 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.11971E-02 ppm1      2.012 ppm2      1.482 CV     1
 OR { 2377}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 9    and name HG3 ))
 OR { 2377}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 85   and name HB% )
 OR { 2377}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 2379}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
      3.900     1.900     1.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.70628E-03 ppm1      2.008 ppm2      0.851 CV     1
 OR { 2379}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2380}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 86   and name HB% )
      4.000     2.000     2.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.52595E-03 ppm1      2.159 ppm2      1.684 CV     1
 OR { 2380}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 2381}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.500     1.500 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.87957E-03 ppm1      2.143 ppm2      8.357 CV     1
 OR { 2381}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2383}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.15019E-02 ppm1      2.081 ppm2      8.377 CV     1
 OR { 2383}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2384}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.15539E-02 ppm1      2.010 ppm2      8.384 CV     1
 OR { 2384}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2395}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.500     3.500     2.500 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.64618E-03 ppm1      1.777 ppm2      2.100 CV     1
 OR { 2395}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI { 2433}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HB3 ))
      4.200     2.200     1.800 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.41693E-03 ppm1      1.825 ppm2      2.836 CV     1
 OR { 2433}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR { 2433}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR { 2433}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 2433}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 2435}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      4.200     2.200     1.800 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.53310E-03 ppm1      1.734 ppm2      2.839 CV     1
 OR { 2435}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2437}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
      3.400     3.400     2.600 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.40810E-03 ppm1      1.626 ppm2      4.154 CV     1
 OR { 2437}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 2451}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HB3 ))
      1.600     0.300     0.600 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.25148E-01 ppm1      1.828 ppm2      1.706 CV     1
 OR { 2451}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI { 2453}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 12   and name HD1%)
      4.100     2.100     1.900 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.46380E-03 ppm1      1.817 ppm2      0.816 CV     1
 OR { 2453}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 20   and name HG13))
 ASSI { 2471}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 16   and name HB3 ))
      4.200     2.200     1.800 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.69855E-03 ppm1      2.475 ppm2      1.688 CV     1
 OR { 2471}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR { 2471}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR { 2471}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR { 2471}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR { 2471}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR { 2471}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR { 2471}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 2474}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 17   and name HD1%)
      4.000     2.000     2.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.66511E-03 ppm1      2.480 ppm2      0.554 CV     1
 OR { 2474}
   (( segid "    " and resid 69   and name HG3 ))
   (  segid "    " and resid 17   and name HD1%)
 OR { 2474}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 2481}
   (( segid "    " and resid 74   and name HG2 ))
   (  segid "    " and resid 10   and name HB% )
      3.800     1.800     1.800 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.43885E-03 ppm1      2.192 ppm2      1.410 CV     1
 OR { 2481}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 91   and name HG13))
 ASSI { 2484}
   (( segid "    " and resid 74   and name HG3 ))
   (  segid "    " and resid 91   and name HG2%)
      3.900     1.900     1.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.72517E-03 ppm1      2.309 ppm2      0.846 CV     1
 OR { 2484}
   (( segid "    " and resid 74   and name HG3 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 2485}
   (( segid "    " and resid 74   and name HG2 ))
   (  segid "    " and resid 75   and name HG2%)
      3.700     1.700     1.700 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.85411E-03 ppm1      2.194 ppm2      0.847 CV     1
 OR { 2485}
   (( segid "    " and resid 74   and name HG2 ))
   (  segid "    " and resid 91   and name HG2%)
 ASSI { 2514}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.78033E-03 ppm1      2.405 ppm2      8.355 CV     1
 OR { 2514}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 2514}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
 OR { 2514}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2520}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 39   and name HB3 ))
      3.500     3.500     2.500 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.64474E-03 ppm1      2.922 ppm2      1.686 CV     1
 OR { 2520}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 61   and name HB  ))
 ASSI { 2537}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
      3.500     1.600     1.600 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.80483E-03 ppm1      2.429 ppm2      1.699 CV     1
 OR { 2537}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 14   and name HD3 ))
 OR { 2537}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI { 2562}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 39   and name HB3 ))
      3.300     3.300     2.700 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.56979E-03 ppm1      2.202 ppm2      1.690 CV     1
 OR { 2562}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 61   and name HB  ))
 ASSI { 2574}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 66   and name HB3 ))
      4.400     2.400     1.600 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.86451E-03 ppm1      2.261 ppm2      1.690 CV     1
 OR { 2574}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HB3 ))
 OR { 2574}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 2579}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 17   and name HD1%)
      3.900     1.900     1.900 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.11305E-02 ppm1      2.261 ppm2      0.563 CV     1
 OR { 2579}
   (( segid "    " and resid 67   and name HG3 ))
   (  segid "    " and resid 17   and name HD1%)
 OR { 2579}
   (( segid "    " and resid 67   and name HG3 ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 2581}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.17928E-02 ppm1      1.677 ppm2      8.997 CV     1
 OR { 2581}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2595}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
      3.600     1.600     1.600 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.15627E-02 ppm1      2.428 ppm2      5.234 CV     1
 OR { 2595}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 2604}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.600     1.600 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.20536E-02 ppm1      2.260 ppm2      9.233 CV     1
 OR { 2604}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
 OR { 2604}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2614}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HN  ))
      3.100     1.200     1.200 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.32818E-02 ppm1      2.348 ppm2      8.670 CV     1
 OR { 2614}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 2614}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2615}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 85   and name HN  ))
      3.200     1.200     1.200 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.18203E-02 ppm1      2.345 ppm2      8.432 CV     1
 OR { 2615}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 85   and name HN  ))
 OR { 2615}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 84   and name HN  ))
 OR { 2615}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 2618}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.100     2.100     1.900 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.47760E-03 ppm1      2.342 ppm2      7.315 CV     1
 OR { 2618}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
 OR { 2618}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2622}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 77   and name HA  ))
      3.700     1.700     1.700 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.10762E-02 ppm1      2.345 ppm2      4.547 CV     1
 OR { 2622}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR { 2622}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HA  ))
 OR { 2622}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2623}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.700     1.700     1.700 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.62749E-03 ppm1      2.342 ppm2      4.444 CV     1
 OR { 2623}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 2623}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR { 2623}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 2629}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 35   and name HD3 ))
      3.600     1.600     1.600 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.48756E-03 ppm1      2.347 ppm2      2.993 CV     1
 OR { 2629}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 35   and name HD3 ))
 OR { 2629}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 38   and name HB3 ))
 OR { 2629}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 2650}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.22107E-02 ppm1      5.016 ppm2      5.261 CV     1
 OR { 2650}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2931}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.42427E-02 ppm1      5.130 ppm2      8.635 CV     1
 OR { 2931}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {    8}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 36   and name HA  ))
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.15878E-02 ppm1      6.380 ppm2      5.103 CV     1
 OR {    8}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 30   and name HA  ))
 ASSI {   14}
   (  segid "    " and resid 53   and name HD% )
   (( segid "    " and resid 50   and name HG2 ))
      3.100     3.100     2.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.16081E-02 ppm1      7.093 ppm2      2.185 CV     1
 OR {   14}
   (  segid "    " and resid 53   and name HD% )
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {   15}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 24   and name HD1%)
      3.600     3.600     2.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.74228E-03 ppm1      7.115 ppm2      1.110 CV     1
 OR {   15}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 33   and name HB% )
 ASSI {   17}
   (( segid "    " and resid 38   and name HZ  ))
   (  segid "    " and resid 61   and name HG2%)
      3.300     3.300     2.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.47751E-03 ppm1      7.222 ppm2      0.900 CV     1
 OR {   17}
   (( segid "    " and resid 38   and name HZ  ))
   (  segid "    " and resid 41   and name HD2%)
 ASSI {   22}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 85   and name HB% )
      4.000     2.000     2.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.61227E-03 ppm1      6.571 ppm2      1.501 CV     1
 OR {   22}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 87   and name HG  ))
 OR {   22}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {   25}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak    25 spectrum    1 weight  0.10000E+01 volume  0.50325E-03 ppm1      6.851 ppm2      9.006 CV     1
 OR {   25}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 29   and name HN  ))
 ASSI {   28}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 86   and name HB% )
      3.900     1.900     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.67813E-03 ppm1      6.856 ppm2      1.666 CV     1
 OR {   28}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 39   and name HB3 ))
 ASSI {   29}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 39   and name HA  ))
      3.700     1.700     1.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.59434E-03 ppm1      6.850 ppm2      4.979 CV     1
 OR {   29}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 86   and name HA  ))
 ASSI {   34}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 85   and name HB% )
      3.300     3.300     2.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.43990E-03 ppm1      6.853 ppm2      1.463 CV     1
 OR {   34}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 20   and name HG12))
 OR {   34}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 77   and name HG3 ))
 ASSI {   54}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 75   and name HG13))
      3.500     1.500     1.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.11840E-02 ppm1      7.086 ppm2      1.515 CV     1
 OR {   54}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HG13))
 ASSI {   61}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 65   and name HG  ))
      4.100     2.100     1.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.42512E-03 ppm1      7.307 ppm2      1.416 CV     1
 OR {   61}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 71   and name HB  ))
 OR {   61}
   (  segid "    " and resid 48   and name HD% )
   (  segid "    " and resid 94   and name HB% )
 ASSI {   64}
   (  segid "    " and resid 48   and name HD% )
   (  segid "    " and resid 65   and name HD2%)
      3.400     1.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.66970E-03 ppm1      7.304 ppm2      0.595 CV     1
 OR {   64}
   (  segid "    " and resid 48   and name HD% )
   (  segid "    " and resid 44   and name HD1%)
 ASSI {   65}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 19   and name HB3 ))
      4.000     2.000     2.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.40902E-03 ppm1      6.854 ppm2      1.856 CV     1
 OR {   65}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 24   and name HB3 ))
 ASSI {   89}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 21   and name HG3 ))
      3.200     3.200     2.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.85267E-03 ppm1      7.347 ppm2      2.338 CV     1
 OR {   89}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 21   and name HG2 ))
 OR {   89}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 79   and name HG2 ))
 OR {   89}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 79   and name HG3 ))
 ASSI {   95}
   (  segid "    " and resid 48   and name HE% )
   (( segid "    " and resid 71   and name HB  ))
      3.300     1.400     1.400 peak    95 spectrum    1 weight  0.10000E+01 volume  0.10543E-02 ppm1      7.008 ppm2      1.419 CV     1
 OR {   95}
   (  segid "    " and resid 48   and name HE% )
   (  segid "    " and resid 94   and name HB% )
 ASSI {   96}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 29   and name HG2%)
      3.900     1.900     1.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.62913E-03 ppm1      7.116 ppm2      0.606 CV     1
 OR {   96}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 39   and name HD1%)
 ASSI {   97}
   (  segid "    " and resid 48   and name HE% )
   (  segid "    " and resid 44   and name HD1%)
      3.700     1.700     1.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.70040E-03 ppm1      7.009 ppm2      0.603 CV     1
 OR {   97}
   (  segid "    " and resid 48   and name HE% )
   (  segid "    " and resid 65   and name HD2%)
 OR {   97}
   (  segid "    " and resid 48   and name HE% )
   (  segid "    " and resid 39   and name HD1%)
 ASSI {  107}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 75   and name HB  ))
      3.500     1.500     1.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.91974E-03 ppm1      6.873 ppm2      1.932 CV     1
 OR {  107}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  109}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 26   and name HA  ))
      3.100     3.100     2.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.64493E-03 ppm1      7.215 ppm2      4.644 CV     1
 OR {  109}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  109}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  121}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 75   and name HB  ))
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.10339E-02 ppm1      7.088 ppm2      1.958 CV     1
 OR {  121}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 74   and name HB2 ))
 OR {  121}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  128}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 54   and name HA  ))
      4.600     2.700     1.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.37076E-03 ppm1      7.077 ppm2      4.351 CV     1
 OR {  128}
   (  segid "    " and resid 49   and name HE% )
   (( segid "    " and resid 48   and name HA  ))


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY  30           H1       GLY  30  10.375  10.539 -14.087
    2   2H    GLY  30           H2       GLY  30   9.774   9.266 -15.028
    3   3H    GLY  30           H3       GLY  30  10.429   8.952 -13.492
    4   1HA   GLY  30          HA2       GLY  30   7.950  10.478 -14.069
    5   2HA   GLY  30          HA1       GLY  30   8.033   8.859 -13.387
    6    H    SER  31           HN       SER  31   6.746   9.855 -11.651
    7    HA   SER  31           HA       SER  31   8.032  11.802  -9.956
    8   1HB   SER  31          HB2       SER  31   5.536  10.166  -9.446
    9   2HB   SER  31          HB3       SER  31   6.032  11.625  -8.585
   10    HG   SER  31           HG       SER  31   5.128  12.746 -10.100
   11    H    HIS  32           HN       HIS  32   9.966  10.299  -9.782
   12    HA   HIS  32           HA       HIS  32   9.821   9.014  -7.195
   13   1HB   HIS  32          HB2       HIS  32   9.219   7.241  -8.942
   14   2HB   HIS  32          HB3       HIS  32  10.878   7.383  -9.509
   15    HD1  HIS  32           HD1      HIS  32  11.219   4.861  -8.832
   16    HD2  HIS  32           HD2      HIS  32  10.394   7.441  -5.674
   17    HE1  HIS  32           HE1      HIS  32  11.788   3.582  -6.740
   18    HE2  HIS  32           HE2      HIS  32  11.112   5.100  -4.845
   19    H    MET  33           HN       MET  33  11.100  11.093  -7.143
   20    HA   MET  33           HA       MET  33  13.888  10.656  -7.957
   21   1HB   MET  33          HB2       MET  33  12.815  12.754  -8.714
   22   2HB   MET  33          HB3       MET  33  12.534  13.199  -7.038
   23   1HG   MET  33          HG2       MET  33  14.935  13.272  -6.640
   24   2HG   MET  33          HG3       MET  33  15.230  12.793  -8.311
   25   1HE   MET  33          HE1       MET  33  14.674  14.310 -10.412
   26   2HE   MET  33          HE2       MET  33  12.995  14.428  -9.885
   27   3HE   MET  33          HE3       MET  33  13.896  15.887 -10.302
   28    H    LEU  34           HN       LEU  34  14.579   9.311  -6.346
   29    HA   LEU  34           HA       LEU  34  15.363   8.637  -4.342
   30   1HB   LEU  34          HB2       LEU  34  15.304  11.591  -3.714
   31   2HB   LEU  34          HB3       LEU  34  16.084  10.376  -2.719
   32    HG   LEU  34           HG       LEU  34  16.856  11.014  -5.569
   33   1HD1  LEU  34          HD11      LEU  34  18.796  12.129  -4.609
   34   2HD1  LEU  34          HD12      LEU  34  17.304  12.893  -4.057
   35   3HD1  LEU  34          HD13      LEU  34  18.190  11.812  -2.981
   36   1HD2  LEU  34          HD21      LEU  34  17.391   8.733  -4.918
   37   2HD2  LEU  34          HD22      LEU  34  18.859   9.700  -5.041
   38   3HD2  LEU  34          HD23      LEU  34  18.184   9.319  -3.456
   39    H    GLU  35           HN       GLU  35  14.034  11.132  -2.420
   40    HA   GLU  35           HA       GLU  35  11.420  10.186  -2.026
   41   1HB   GLU  35          HB2       GLU  35  11.563   9.026   0.045
   42   2HB   GLU  35          HB3       GLU  35  12.746   8.270  -1.008
   43   1HG   GLU  35          HG2       GLU  35  13.358  10.307   1.122
   44   2HG   GLU  35          HG3       GLU  35  13.548   8.565   1.289
   45    H    GLN  36           HN       GLN  36  10.851  11.008   0.486
   46    HA   GLN  36           HA       GLN  36  11.946  13.736   0.528
   47   1HB   GLN  36          HB2       GLN  36   9.542  13.586  -0.141
   48   2HB   GLN  36          HB3       GLN  36   9.190  12.892   1.437
   49   1HG   GLN  36          HG2       GLN  36   8.661  15.239   1.448
   50   2HG   GLN  36          HG3       GLN  36  10.036  14.936   2.509
   51   1HE2  GLN  36          HE21      GLN  36   8.933  16.458  -0.383
   52   2HE2  GLN  36          HE22      GLN  36  10.385  17.329  -0.729
   53    H    LYS  37           HN       LYS  37  13.613  12.961   1.935
   54    HA   LYS  37           HA       LYS  37  14.623  12.874   3.966
   55   1HB   LYS  37          HB2       LYS  37  12.035  14.025   5.015
   56   2HB   LYS  37          HB3       LYS  37  13.614  14.118   5.783
   57   1HG   LYS  37          HG2       LYS  37  12.823  15.407   3.178
   58   2HG   LYS  37          HG3       LYS  37  13.047  16.223   4.726
   59   1HD   LYS  37          HD2       LYS  37  15.391  15.711   4.724
   60   2HD   LYS  37          HD3       LYS  37  15.216  14.683   3.301
   61   1HE   LYS  37          HE2       LYS  37  14.754  17.660   3.405
   62   2HE   LYS  37          HE3       LYS  37  16.163  16.855   2.717
   63   1HZ   LYS  37          HZ1       LYS  37  14.664  17.434   0.965
   64   2HZ   LYS  37          HZ2       LYS  37  13.359  16.685   1.746
   65   3HZ   LYS  37          HZ3       LYS  37  14.634  15.746   1.138
   66    H    LYS  38           HN       LYS  38  12.821  10.629   3.111
   67    HA   LYS  38           HA       LYS  38  12.511   9.348   5.727
   68   1HB   LYS  38          HB2       LYS  38  10.435   8.301   4.929
   69   2HB   LYS  38          HB3       LYS  38  10.318  10.050   5.003
   70   1HG   LYS  38          HG2       LYS  38  10.828  10.049   2.517
   71   2HG   LYS  38          HG3       LYS  38  10.541   8.302   2.566
   72   1HD   LYS  38          HD2       LYS  38   8.310   8.628   3.366
   73   2HD   LYS  38          HD3       LYS  38   8.580  10.352   3.596
   74   1HE   LYS  38          HE2       LYS  38   8.995  10.466   1.094
   75   2HE   LYS  38          HE3       LYS  38   8.332   8.832   1.021
   76   1HZ   LYS  38          HZ1       LYS  38   6.598  10.444   0.605
   77   2HZ   LYS  38          HZ2       LYS  38   6.949  11.249   2.056
   78   3HZ   LYS  38          HZ3       LYS  38   6.308   9.683   2.098
   79    H    ALA  39           HN       ALA  39  11.752   6.880   5.045
   80    HA   ALA  39           HA       ALA  39  13.925   5.633   3.739
   81   1HB   ALA  39          HB1       ALA  39  12.499   4.411   5.294
   82   2HB   ALA  39          HB2       ALA  39  11.114   4.631   4.225
   83   3HB   ALA  39          HB3       ALA  39  12.474   3.634   3.711
   84    H    ASN  40           HN       ASN  40  13.777   4.467   1.651
   85    HA   ASN  40           HA       ASN  40  12.962   6.204  -0.391
   86   1HB   ASN  40          HB2       ASN  40  13.695   3.284  -0.506
   87   2HB   ASN  40          HB3       ASN  40  13.313   4.260  -1.919
   88   1HD2  ASN  40          HD21      ASN  40  14.708   5.892  -2.555
   89   2HD2  ASN  40          HD22      ASN  40  16.342   5.976  -1.996
   90    H    ILE  41           HN       ILE  41  11.010   6.685  -0.952
   91    HA   ILE  41           HA       ILE  41   8.789   4.952  -0.366
   92    HB   ILE  41           HB       ILE  41   8.788   7.484  -0.158
   93   1HG1  ILE  41          HG12      ILE  41   6.443   7.686  -1.134
   94   2HG1  ILE  41          HG13      ILE  41   6.647   6.028  -1.702
   95   1HG2  ILE  41          HG21      ILE  41   8.231   8.753  -2.195
   96   2HG2  ILE  41          HG22      ILE  41   9.854   8.059  -2.230
   97   3HG2  ILE  41          HG23      ILE  41   8.554   7.305  -3.152
   98   1HD1  ILE  41          HD11      ILE  41   7.023   5.300   0.600
   99   2HD1  ILE  41          HD12      ILE  41   6.779   6.956   1.152
  100   3HD1  ILE  41          HD13      ILE  41   5.452   6.076   0.395
  101    H    TYR  42           HN       TYR  42   7.401   3.982  -1.942
  102    HA   TYR  42           HA       TYR  42   8.640   3.739  -4.605
  103   1HB   TYR  42          HB2       TYR  42   7.236   1.544  -3.068
  104   2HB   TYR  42          HB3       TYR  42   8.020   1.390  -4.635
  105    HD1  TYR  42           HD1      TYR  42   8.404   0.950  -1.166
  106    HD2  TYR  42           HD2      TYR  42  10.582   1.997  -4.668
  107    HE1  TYR  42           HE1      TYR  42  10.497   0.311  -0.045
  108    HE2  TYR  42           HE2      TYR  42  12.683   1.362  -3.556
  109    HH   TYR  42           HH       TYR  42  12.802  -0.467  -0.778
  110    H    LYS  43           HN       LYS  43   7.199   3.317  -6.331
  111    HA   LYS  43           HA       LYS  43   4.365   3.776  -5.755
  112   1HB   LYS  43          HB2       LYS  43   5.386   5.926  -6.396
  113   2HB   LYS  43          HB3       LYS  43   5.987   5.198  -7.878
  114   1HG   LYS  43          HG2       LYS  43   3.763   4.918  -8.714
  115   2HG   LYS  43          HG3       LYS  43   3.072   5.449  -7.177
  116   1HD   LYS  43          HD2       LYS  43   3.949   7.662  -7.478
  117   2HD   LYS  43          HD3       LYS  43   4.857   7.158  -8.907
  118   1HE   LYS  43          HE2       LYS  43   1.855   7.072  -8.684
  119   2HE   LYS  43          HE3       LYS  43   2.757   8.405  -9.403
  120   1HZ   LYS  43          HZ1       LYS  43   1.871   6.180 -10.708
  121   2HZ   LYS  43          HZ2       LYS  43   3.526   5.862 -10.484
  122   3HZ   LYS  43          HZ3       LYS  43   3.032   7.278 -11.277
  123    H    GLY  44           HN       GLY  44   3.697   1.776  -6.223
  124   1HA   GLY  44          HA1       GLY  44   4.100   0.811  -8.967
  125   2HA   GLY  44          HA2       GLY  44   4.523  -0.256  -7.631
  126    H    LYS  45           HN       LYS  45   2.712  -1.354  -9.163
  127    HA   LYS  45           HA       LYS  45   0.064  -0.493  -8.246
  128   1HB   LYS  45          HB2       LYS  45   0.945  -2.152 -10.589
  129   2HB   LYS  45          HB3       LYS  45  -0.721  -2.191 -10.014
  130   1HG   LYS  45          HG2       LYS  45  -0.641  -0.646 -11.804
  131   2HG   LYS  45          HG3       LYS  45  -0.802   0.291 -10.322
  132   1HD   LYS  45          HD2       LYS  45   0.791   1.358 -11.783
  133   2HD   LYS  45          HD3       LYS  45   1.636   0.715 -10.372
  134   1HE   LYS  45          HE2       LYS  45   2.880   0.258 -12.411
  135   2HE   LYS  45          HE3       LYS  45   2.314  -1.237 -11.672
  136   1HZ   LYS  45          HZ1       LYS  45   0.553  -1.373 -13.276
  137   2HZ   LYS  45          HZ2       LYS  45   2.025  -1.189 -14.093
  138   3HZ   LYS  45          HZ3       LYS  45   0.975   0.132 -13.941
  139    H    ILE  46           HN       ILE  46  -1.500  -2.006  -7.644
  140    HA   ILE  46           HA       ILE  46  -0.675  -4.119  -5.957
  141    HB   ILE  46           HB       ILE  46  -3.276  -3.101  -7.027
  142   1HG1  ILE  46          HG12      ILE  46  -3.897  -3.049  -4.665
  143   2HG1  ILE  46          HG13      ILE  46  -2.402  -3.864  -4.229
  144   1HG2  ILE  46          HG21      ILE  46  -4.486  -4.980  -6.065
  145   2HG2  ILE  46          HG22      ILE  46  -3.441  -5.485  -7.389
  146   3HG2  ILE  46          HG23      ILE  46  -2.960  -5.793  -5.720
  147   1HD1  ILE  46          HD11      ILE  46  -2.310  -1.473  -3.750
  148   2HD1  ILE  46          HD12      ILE  46  -1.131  -1.912  -4.985
  149   3HD1  ILE  46          HD13      ILE  46  -2.634  -1.112  -5.444
  150    H    THR  47           HN       THR  47  -0.479  -6.295  -6.382
  151    HA   THR  47           HA       THR  47  -1.155  -7.195  -9.109
  152    HB   THR  47           HB       THR  47   0.882  -8.511  -9.183
  153    HG1  THR  47           HG1      THR  47   1.449  -9.013  -7.135
  154   1HG2  THR  47          HG21      THR  47   2.506  -6.639  -9.206
  155   2HG2  THR  47          HG22      THR  47   1.298  -5.639  -8.389
  156   3HG2  THR  47          HG23      THR  47   0.986  -6.250 -10.016
  157    H    ARG  48           HN       ARG  48  -1.598  -7.636  -5.840
  158    HA   ARG  48           HA       ARG  48  -2.939 -10.151  -6.271
  159   1HB   ARG  48          HB2       ARG  48  -0.484 -10.667  -5.783
  160   2HB   ARG  48          HB3       ARG  48  -0.797 -10.067  -4.162
  161   1HG   ARG  48          HG2       ARG  48  -2.757 -11.755  -4.157
  162   2HG   ARG  48          HG3       ARG  48  -1.881 -12.513  -5.485
  163   1HD   ARG  48          HD2       ARG  48   0.124 -12.644  -4.014
  164   2HD   ARG  48          HD3       ARG  48  -0.866 -12.006  -2.693
  165    HE   ARG  48           HE       ARG  48  -1.821 -14.050  -2.418
  166   1HH1  ARG  48          HH1       ARG  48  -0.214 -13.999  -5.536
  167   2HH1  ARG  48          HH1       ARG  48  -0.472 -15.689  -5.839
  168   1HH2  ARG  48          HH2       ARG  48  -2.125 -16.265  -2.792
  169   2HH2  ARG  48          HH2       ARG  48  -1.560 -16.989  -4.269
  170    H    ILE  49           HN       ILE  49  -4.773  -9.988  -5.162
  171    HA   ILE  49           HA       ILE  49  -4.687  -8.768  -2.499
  172    HB   ILE  49           HB       ILE  49  -6.779  -8.145  -4.589
  173   1HG1  ILE  49          HG12      ILE  49  -4.983  -6.196  -3.192
  174   2HG1  ILE  49          HG13      ILE  49  -4.472  -6.997  -4.678
  175   1HG2  ILE  49          HG21      ILE  49  -7.733  -8.367  -2.331
  176   2HG2  ILE  49          HG22      ILE  49  -6.562  -7.193  -1.731
  177   3HG2  ILE  49          HG23      ILE  49  -7.783  -6.700  -2.903
  178   1HD1  ILE  49          HD11      ILE  49  -6.468  -6.117  -5.790
  179   2HD1  ILE  49          HD12      ILE  49  -6.879  -5.239  -4.312
  180   3HD1  ILE  49          HD13      ILE  49  -5.389  -4.856  -5.186
  181    H    GLU  50           HN       GLU  50  -5.176 -10.389  -1.220
  182    HA   GLU  50           HA       GLU  50  -7.193 -12.322  -2.109
  183   1HB   GLU  50          HB2       GLU  50  -4.879 -12.494  -0.216
  184   2HB   GLU  50          HB3       GLU  50  -6.210 -13.634  -0.091
  185   1HG   GLU  50          HG2       GLU  50  -5.853 -14.387  -2.324
  186   2HG   GLU  50          HG3       GLU  50  -4.645 -13.137  -2.604
  187    HA   PRO  51           HA       PRO  51  -9.971 -10.263   0.767
  188   1HB   PRO  51          HB2       PRO  51 -11.601 -12.610  -0.057
  189   2HB   PRO  51          HB3       PRO  51 -12.023 -10.894  -0.063
  190   1HG   PRO  51          HG2       PRO  51 -11.510 -12.172  -2.336
  191   2HG   PRO  51          HG3       PRO  51 -10.935 -10.512  -2.082
  192   1HD   PRO  51          HD2       PRO  51  -9.422 -13.087  -1.916
  193   2HD   PRO  51          HD3       PRO  51  -8.924 -11.530  -2.611
  194    H    SER  52           HN       SER  52  -8.776 -13.489   0.653
  195    HA   SER  52           HA       SER  52  -9.909 -14.422   3.082
  196   1HB   SER  52          HB2       SER  52  -7.424 -15.440   1.706
  197   2HB   SER  52          HB3       SER  52  -8.482 -16.328   2.802
  198    HG   SER  52           HG       SER  52  -8.650 -16.153   0.171
  199    H    LEU  53           HN       LEU  53  -7.073 -12.520   2.287
  200    HA   LEU  53           HA       LEU  53  -6.352 -12.685   5.129
  201   1HB   LEU  53          HB2       LEU  53  -3.999 -12.096   4.396
  202   2HB   LEU  53          HB3       LEU  53  -4.569 -13.721   4.098
  203    HG   LEU  53           HG       LEU  53  -5.042 -12.945   1.697
  204   1HD1  LEU  53          HD11      LEU  53  -4.902 -10.539   2.138
  205   2HD1  LEU  53          HD12      LEU  53  -3.194 -10.725   2.539
  206   3HD1  LEU  53          HD13      LEU  53  -3.756 -11.064   0.903
  207   1HD2  LEU  53          HD21      LEU  53  -2.698 -13.279   1.062
  208   2HD2  LEU  53          HD22      LEU  53  -2.225 -13.075   2.749
  209   3HD2  LEU  53          HD23      LEU  53  -3.238 -14.439   2.276
  210    H    GLU  54           HN       GLU  54  -7.479 -10.601   2.759
  211    HA   GLU  54           HA       GLU  54  -7.964  -8.383   2.739
  212   1HB   GLU  54          HB2       GLU  54  -7.248  -8.395   5.668
  213   2HB   GLU  54          HB3       GLU  54  -8.274  -7.241   4.831
  214   1HG   GLU  54          HG2       GLU  54  -8.953 -10.142   4.954
  215   2HG   GLU  54          HG3       GLU  54  -9.378  -9.037   6.255
  216    H    ALA  55           HN       ALA  55  -5.644  -8.691   1.639
  217    HA   ALA  55           HA       ALA  55  -4.269  -6.283   2.218
  218   1HB   ALA  55          HB1       ALA  55  -3.356  -7.632   4.031
  219   2HB   ALA  55          HB2       ALA  55  -2.810  -8.834   2.862
  220   3HB   ALA  55          HB3       ALA  55  -2.113  -7.215   2.851
  221    H    ALA  56           HN       ALA  56  -2.346  -6.015   0.775
  222    HA   ALA  56           HA       ALA  56  -2.779  -7.512  -1.725
  223   1HB   ALA  56          HB1       ALA  56  -2.452  -4.527  -1.493
  224   2HB   ALA  56          HB2       ALA  56  -2.706  -5.447  -2.975
  225   3HB   ALA  56          HB3       ALA  56  -3.980  -5.362  -1.761
  226    H    PHE  57           HN       PHE  57  -1.017  -7.966  -2.911
  227    HA   PHE  57           HA       PHE  57   1.588  -7.052  -1.957
  228   1HB   PHE  57          HB2       PHE  57   0.718  -9.200  -3.870
  229   2HB   PHE  57          HB3       PHE  57   2.373  -8.607  -3.889
  230    HD1  PHE  57           HD1      PHE  57   3.754  -8.811  -1.799
  231    HD2  PHE  57           HD2      PHE  57   0.011 -10.770  -2.270
  232    HE1  PHE  57           HE1      PHE  57   4.352 -10.373   0.005
  233    HE2  PHE  57           HE2      PHE  57   0.596 -12.336  -0.464
  234    HZ   PHE  57           HZ       PHE  57   2.770 -12.140   0.674
  235    H    VAL  58           HN       VAL  58   2.950  -5.828  -3.159
  236    HA   VAL  58           HA       VAL  58   1.807  -4.591  -5.586
  237    HB   VAL  58           HB       VAL  58   3.386  -3.268  -3.368
  238   1HG1  VAL  58          HG11      VAL  58   3.455  -1.251  -4.683
  239   2HG1  VAL  58          HG12      VAL  58   4.223  -2.552  -5.592
  240   3HG1  VAL  58          HG13      VAL  58   2.588  -2.034  -6.005
  241   1HG2  VAL  58          HG21      VAL  58   0.990  -3.422  -2.979
  242   2HG2  VAL  58          HG22      VAL  58   1.464  -1.750  -3.286
  243   3HG2  VAL  58          HG23      VAL  58   0.674  -2.688  -4.551
  244    H    ASP  59           HN       ASP  59   3.065  -4.498  -7.335
  245    HA   ASP  59           HA       ASP  59   5.710  -5.748  -7.091
  246   1HB   ASP  59          HB2       ASP  59   4.055  -6.885  -8.553
  247   2HB   ASP  59          HB3       ASP  59   3.980  -5.422  -9.548
  248    H    TYR  60           HN       TYR  60   7.063  -4.094  -6.692
  249    HA   TYR  60           HA       TYR  60   7.332  -2.106  -8.843
  250   1HB   TYR  60          HB2       TYR  60   8.222  -0.535  -7.096
  251   2HB   TYR  60          HB3       TYR  60   6.524  -0.934  -6.877
  252    HD1  TYR  60           HD1      TYR  60   5.925  -2.689  -5.119
  253    HD2  TYR  60           HD2      TYR  60   9.778  -0.913  -5.363
  254    HE1  TYR  60           HE1      TYR  60   6.389  -3.394  -2.813
  255    HE2  TYR  60           HE2      TYR  60  10.254  -1.618  -3.060
  256    HH   TYR  60           HH       TYR  60   9.012  -2.216  -1.029
  257    H    GLY  61           HN       GLY  61   8.675  -4.015  -9.612
  258   1HA   GLY  61          HA1       GLY  61  10.673  -5.130  -9.873
  259   2HA   GLY  61          HA2       GLY  61  11.418  -3.644  -9.304
  260    H    ALA  62           HN       ALA  62   9.212  -5.322  -7.222
  261    HA   ALA  62           HA       ALA  62  11.431  -5.832  -5.379
  262   1HB   ALA  62          HB1       ALA  62   9.552  -4.462  -4.557
  263   2HB   ALA  62          HB2       ALA  62   8.459  -5.820  -4.829
  264   3HB   ALA  62          HB3       ALA  62   9.744  -5.948  -3.622
  265    H    GLU  63           HN       GLU  63  12.192  -7.817  -5.177
  266    HA   GLU  63           HA       GLU  63  10.998  -9.994  -6.594
  267   1HB   GLU  63          HB2       GLU  63  13.337 -10.015  -4.684
  268   2HB   GLU  63          HB3       GLU  63  12.934 -11.266  -5.854
  269   1HG   GLU  63          HG2       GLU  63  13.336  -9.692  -7.677
  270   2HG   GLU  63          HG3       GLU  63  13.739  -8.438  -6.504
  271    H    ARG  64           HN       ARG  64  10.347  -8.719  -3.638
  272    HA   ARG  64           HA       ARG  64   9.366 -11.286  -2.584
  273   1HB   ARG  64          HB2       ARG  64  10.024  -8.774  -1.037
  274   2HB   ARG  64          HB3       ARG  64   9.513 -10.309  -0.357
  275   1HG   ARG  64          HG2       ARG  64  11.932 -10.351  -2.053
  276   2HG   ARG  64          HG3       ARG  64  12.066  -9.549  -0.490
  277   1HD   ARG  64          HD2       ARG  64  12.719 -11.886  -0.333
  278   2HD   ARG  64          HD3       ARG  64  11.282 -11.563   0.628
  279    HE   ARG  64           HE       ARG  64  10.837 -12.634  -2.040
  280   1HH1  ARG  64          HH1       ARG  64  11.110 -13.219   1.408
  281   2HH1  ARG  64          HH1       ARG  64  10.308 -14.767   1.330
  282   1HH2  ARG  64          HH2       ARG  64   9.819 -14.689  -2.146
  283   2HH2  ARG  64          HH2       ARG  64   9.617 -15.620  -0.688
  284    H    HIS  65           HN       HIS  65   8.531  -8.385  -3.964
  285    HA   HIS  65           HA       HIS  65   6.704  -7.107  -4.214
  286   1HB   HIS  65          HB2       HIS  65   5.404  -9.679  -3.374
  287   2HB   HIS  65          HB3       HIS  65   4.444  -8.218  -3.556
  288    HD1  HIS  65           HD1      HIS  65   3.191  -9.221  -5.575
  289    HD2  HIS  65           HD2      HIS  65   7.283  -8.823  -6.128
  290    HE1  HIS  65           HE1      HIS  65   3.558  -9.463  -8.035
  291    HE2  HIS  65           HE2      HIS  65   6.018  -9.038  -8.377
  292    H    GLY  66           HN       GLY  66   5.612  -5.540  -3.175
  293   1HA   GLY  66          HA1       GLY  66   6.067  -5.331  -0.322
  294   2HA   GLY  66          HA2       GLY  66   5.363  -4.101  -1.363
  295    H    PHE  67           HN       PHE  67   4.630  -5.808   1.218
  296    HA   PHE  67           HA       PHE  67   1.943  -6.563   0.305
  297   1HB   PHE  67          HB2       PHE  67   3.444  -8.319   1.300
  298   2HB   PHE  67          HB3       PHE  67   3.343  -7.443   2.815
  299    HD1  PHE  67           HD1      PHE  67   0.983  -8.648   0.207
  300    HD2  PHE  67           HD2      PHE  67   1.886  -8.354   4.351
  301    HE1  PHE  67           HE1      PHE  67  -1.068  -9.893   0.733
  302    HE2  PHE  67           HE2      PHE  67  -0.168  -9.600   4.891
  303    HZ   PHE  67           HZ       PHE  67  -1.656 -10.365   3.070
  304    H    LEU  68           HN       LEU  68   0.508  -5.082   0.671
  305    HA   LEU  68           HA       LEU  68   0.664  -3.388   3.071
  306   1HB   LEU  68          HB2       LEU  68   0.286  -2.772   0.393
  307   2HB   LEU  68          HB3       LEU  68  -1.330  -2.688   1.062
  308    HG   LEU  68           HG       LEU  68   1.066  -1.104   1.966
  309   1HD1  LEU  68          HD11      LEU  68  -1.483  -0.332   0.568
  310   2HD1  LEU  68          HD12      LEU  68  -0.265   0.797   1.165
  311   3HD1  LEU  68          HD13      LEU  68   0.139  -0.338  -0.124
  312   1HD2  LEU  68          HD21      LEU  68  -0.298  -1.639   3.881
  313   2HD2  LEU  68          HD22      LEU  68  -0.528   0.053   3.438
  314   3HD2  LEU  68          HD23      LEU  68  -1.757  -1.143   3.019
  315    HA   PRO  69           HA       PRO  69  -2.922  -5.868   4.459
  316   1HB   PRO  69          HB2       PRO  69  -2.551  -4.265   6.894
  317   2HB   PRO  69          HB3       PRO  69  -2.501  -6.015   6.690
  318   1HG   PRO  69          HG2       PRO  69  -0.285  -4.586   7.210
  319   2HG   PRO  69          HG3       PRO  69  -0.253  -6.024   6.175
  320   1HD   PRO  69          HD2       PRO  69  -0.266  -3.133   5.393
  321   2HD   PRO  69          HD3       PRO  69   0.687  -4.475   4.724
  322    H    LEU  70           HN       LEU  70  -5.020  -5.377   4.677
  323    HA   LEU  70           HA       LEU  70  -6.022  -3.092   3.468
  324   1HB   LEU  70          HB2       LEU  70  -7.371  -4.963   3.375
  325   2HB   LEU  70          HB3       LEU  70  -7.216  -5.295   5.084
  326    HG   LEU  70           HG       LEU  70  -8.661  -3.349   5.572
  327   1HD1  LEU  70          HD11      LEU  70  -8.235  -1.986   3.635
  328   2HD1  LEU  70          HD12      LEU  70  -8.926  -3.219   2.576
  329   3HD1  LEU  70          HD13      LEU  70  -9.957  -2.359   3.721
  330   1HD2  LEU  70          HD21      LEU  70  -9.605  -5.576   5.439
  331   2HD2  LEU  70          HD22      LEU  70 -10.744  -4.387   4.810
  332   3HD2  LEU  70          HD23      LEU  70  -9.823  -5.402   3.698
  333    H    LYS  71           HN       LYS  71  -5.670  -3.783   6.938
  334    HA   LYS  71           HA       LYS  71  -7.342  -1.636   7.745
  335   1HB   LYS  71          HB2       LYS  71  -6.531  -2.025   9.982
  336   2HB   LYS  71          HB3       LYS  71  -6.776  -3.579   9.197
  337   1HG   LYS  71          HG2       LYS  71  -4.391  -3.781   8.801
  338   2HG   LYS  71          HG3       LYS  71  -4.123  -2.191   9.521
  339   1HD   LYS  71          HD2       LYS  71  -5.171  -3.094  11.628
  340   2HD   LYS  71          HD3       LYS  71  -5.116  -4.690  10.877
  341   1HE   LYS  71          HE2       LYS  71  -3.194  -4.407  12.302
  342   2HE   LYS  71          HE3       LYS  71  -2.680  -4.454  10.617
  343   1HZ   LYS  71          HZ1       LYS  71  -2.498  -2.049  10.625
  344   2HZ   LYS  71          HZ2       LYS  71  -1.554  -2.707  11.872
  345   3HZ   LYS  71          HZ3       LYS  71  -3.042  -1.985  12.231
  346    H    GLU  72           HN       GLU  72  -4.287  -1.610   6.365
  347    HA   GLU  72           HA       GLU  72  -3.439   0.861   7.666
  348   1HB   GLU  72          HB2       GLU  72  -2.080  -0.493   5.341
  349   2HB   GLU  72          HB3       GLU  72  -1.371   0.577   6.544
  350   1HG   GLU  72          HG2       GLU  72  -2.414  -2.180   7.155
  351   2HG   GLU  72          HG3       GLU  72  -0.740  -1.828   6.746
  352    H    ILE  73           HN       ILE  73  -5.199  -0.211   4.955
  353    HA   ILE  73           HA       ILE  73  -4.338   1.286   2.831
  354    HB   ILE  73           HB       ILE  73  -6.977   0.104   3.538
  355   1HG1  ILE  73          HG12      ILE  73  -4.937  -0.351   1.356
  356   2HG1  ILE  73          HG13      ILE  73  -5.264  -1.382   2.745
  357   1HG2  ILE  73          HG21      ILE  73  -6.512   1.812   1.104
  358   2HG2  ILE  73          HG22      ILE  73  -7.881   0.724   1.329
  359   3HG2  ILE  73          HG23      ILE  73  -7.666   2.103   2.406
  360   1HD1  ILE  73          HD11      ILE  73  -6.200  -2.295   0.697
  361   2HD1  ILE  73          HD12      ILE  73  -7.465  -1.891   1.854
  362   3HD1  ILE  73          HD13      ILE  73  -7.161  -0.833   0.479
  363    H    ALA  74           HN       ALA  74  -4.523   3.242   2.054
  364    HA   ALA  74           HA       ALA  74  -5.748   5.329   3.679
  365   1HB   ALA  74          HB1       ALA  74  -3.446   5.669   2.955
  366   2HB   ALA  74          HB2       ALA  74  -3.932   5.496   1.267
  367   3HB   ALA  74          HB3       ALA  74  -4.503   6.871   2.212
  368    H    ARG  75           HN       ARG  75  -7.067   6.933   2.746
  369    HA   ARG  75           HA       ARG  75  -9.223   6.106   1.189
  370   1HB   ARG  75          HB2       ARG  75  -9.163   8.066   2.729
  371   2HB   ARG  75          HB3       ARG  75  -8.210   8.934   1.536
  372   1HG   ARG  75          HG2       ARG  75 -10.369   9.719   1.221
  373   2HG   ARG  75          HG3       ARG  75 -10.169   8.518  -0.055
  374   1HD   ARG  75          HD2       ARG  75 -11.382   6.883   1.236
  375   2HD   ARG  75          HD3       ARG  75 -11.483   7.986   2.606
  376    HE   ARG  75           HE       ARG  75 -13.198   7.908   0.337
  377   1HH1  ARG  75          HH1       ARG  75 -11.753  10.136   2.636
  378   2HH1  ARG  75          HH1       ARG  75 -13.036  11.295   2.502
  379   1HH2  ARG  75          HH2       ARG  75 -14.912   9.405   0.231
  380   2HH2  ARG  75          HH2       ARG  75 -14.821  10.889   1.133
  381    H    GLU  76           HN       GLU  76  -6.071   7.100   0.101
  382    HA   GLU  76           HA       GLU  76  -6.788   8.035  -2.466
  383   1HB   GLU  76          HB2       GLU  76  -4.480   8.043  -1.257
  384   2HB   GLU  76          HB3       GLU  76  -4.279   6.458  -2.000
  385   1HG   GLU  76          HG2       GLU  76  -3.250   8.028  -3.435
  386   2HG   GLU  76          HG3       GLU  76  -4.760   7.541  -4.206
  387    H    TYR  77           HN       TYR  77  -6.791   4.886  -1.107
  388    HA   TYR  77           HA       TYR  77  -6.382   3.505  -3.616
  389   1HB   TYR  77          HB2       TYR  77  -7.139   2.411  -0.898
  390   2HB   TYR  77          HB3       TYR  77  -6.647   1.459  -2.293
  391    HD1  TYR  77           HD1      TYR  77  -4.577   4.069  -2.726
  392    HD2  TYR  77           HD2      TYR  77  -5.229   0.982   0.130
  393    HE1  TYR  77           HE1      TYR  77  -2.234   4.246  -2.004
  394    HE2  TYR  77           HE2      TYR  77  -2.892   1.157   0.858
  395    HH   TYR  77           HH       TYR  77  -0.855   3.731  -0.074
  396    H    PHE  78           HN       PHE  78  -8.983   3.740  -1.228
  397    HA   PHE  78           HA       PHE  78 -10.914   3.187  -3.350
  398   1HB   PHE  78          HB2       PHE  78 -12.606   3.128  -1.514
  399   2HB   PHE  78          HB3       PHE  78 -11.357   1.908  -1.347
  400    HD1  PHE  78           HD1      PHE  78  -9.225   2.954   0.084
  401    HD2  PHE  78           HD2      PHE  78 -13.332   4.001   0.443
  402    HE1  PHE  78           HE1      PHE  78  -8.831   3.686   2.395
  403    HE2  PHE  78           HE2      PHE  78 -12.941   4.739   2.754
  404    HZ   PHE  78           HZ       PHE  78 -10.689   4.582   3.734
  405    HA   PRO  79           HA       PRO  79 -10.146   7.332  -4.305
  406   1HB   PRO  79          HB2       PRO  79 -12.703   7.754  -5.466
  407   2HB   PRO  79          HB3       PRO  79 -11.202   7.320  -6.289
  408   1HG   PRO  79          HG2       PRO  79 -13.418   5.583  -5.341
  409   2HG   PRO  79          HG3       PRO  79 -12.382   5.402  -6.772
  410   1HD   PRO  79          HD2       PRO  79 -12.002   3.847  -4.660
  411   2HD   PRO  79          HD3       PRO  79 -10.599   4.548  -5.498
  412    H    ALA  80           HN       ALA  80 -10.355   9.227  -3.427
  413    HA   ALA  80           HA       ALA  80 -11.723   9.793  -1.120
  414   1HB   ALA  80          HB1       ALA  80 -11.187  12.118  -1.544
  415   2HB   ALA  80          HB2       ALA  80  -9.840  11.076  -2.010
  416   3HB   ALA  80          HB3       ALA  80 -10.897  11.756  -3.247
  417    H    ASN  81           HN       ASN  81 -13.106   9.596  -4.253
  418    HA   ASN  81           HA       ASN  81 -15.391  11.273  -3.621
  419   1HB   ASN  81          HB2       ASN  81 -14.845   9.452  -5.977
  420   2HB   ASN  81          HB3       ASN  81 -16.282  10.451  -5.807
  421   1HD2  ASN  81          HD21      ASN  81 -15.915  11.686  -7.585
  422   2HD2  ASN  81          HD22      ASN  81 -14.614  12.818  -7.703
  423    H    TYR  82           HN       TYR  82 -14.396   8.177  -2.925
  424    HA   TYR  82           HA       TYR  82 -17.038   6.943  -2.922
  425   1HB   TYR  82          HB2       TYR  82 -14.908   5.757  -3.650
  426   2HB   TYR  82          HB3       TYR  82 -14.406   5.787  -1.964
  427    HD1  TYR  82           HD1      TYR  82 -17.131   4.593  -4.193
  428    HD2  TYR  82           HD2      TYR  82 -15.039   4.056  -0.531
  429    HE1  TYR  82           HE1      TYR  82 -18.325   2.477  -3.834
  430    HE2  TYR  82           HE2      TYR  82 -16.231   1.937  -0.153
  431    HH   TYR  82           HH       TYR  82 -18.096   0.423  -2.617
  432    H    SER  83           HN       SER  83 -18.166   6.457  -1.070
  433    HA   SER  83           HA       SER  83 -17.767   8.104   1.185
  434   1HB   SER  83          HB2       SER  83 -19.514   5.644   0.976
  435   2HB   SER  83          HB3       SER  83 -19.703   6.985   2.105
  436    HG   SER  83           HG       SER  83 -21.120   7.147   0.303
  437    H    ALA  84           HN       ALA  84 -16.559   7.826   2.939
  438    HA   ALA  84           HA       ALA  84 -15.670   5.093   3.641
  439   1HB   ALA  84          HB1       ALA  84 -13.860   6.294   2.494
  440   2HB   ALA  84          HB2       ALA  84 -13.956   7.577   3.699
  441   3HB   ALA  84          HB3       ALA  84 -13.466   5.950   4.176
  442    H    HIS  85           HN       HIS  85 -16.477   4.633   5.572
  443    HA   HIS  85           HA       HIS  85 -16.232   6.619   7.710
  444   1HB   HIS  85          HB2       HIS  85 -18.773   5.221   6.907
  445   2HB   HIS  85          HB3       HIS  85 -18.529   5.806   8.547
  446    HD1  HIS  85           HD1      HIS  85 -19.949   6.814   5.449
  447    HD2  HIS  85           HD2      HIS  85 -17.822   8.736   8.463
  448    HE1  HIS  85           HE1      HIS  85 -20.439   9.269   5.171
  449    HE2  HIS  85           HE2      HIS  85 -18.998  10.421   6.893
  450    H    GLY  86           HN       GLY  86 -14.406   5.202   8.154
  451   1HA   GLY  86          HA1       GLY  86 -14.173   3.872  10.283
  452   2HA   GLY  86          HA2       GLY  86 -15.261   2.724   9.517
  453    H    ARG  87           HN       ARG  87 -14.353   1.073   8.496
  454    HA   ARG  87           HA       ARG  87 -11.539   1.336   7.672
  455   1HB   ARG  87          HB2       ARG  87 -11.897  -0.065   9.721
  456   2HB   ARG  87          HB3       ARG  87 -12.869  -1.158   8.749
  457   1HG   ARG  87          HG2       ARG  87 -10.558  -1.944   9.102
  458   2HG   ARG  87          HG3       ARG  87 -10.970  -1.736   7.400
  459   1HD   ARG  87          HD2       ARG  87  -8.691  -0.885   8.139
  460   2HD   ARG  87          HD3       ARG  87  -9.698   0.232   7.217
  461    HE   ARG  87           HE       ARG  87 -10.049   0.537  10.039
  462   1HH1  ARG  87          HH1       ARG  87  -7.893   1.327   7.397
  463   2HH1  ARG  87          HH1       ARG  87  -7.346   2.811   8.111
  464   1HH2  ARG  87          HH2       ARG  87  -9.359   2.492  10.975
  465   2HH2  ARG  87          HH2       ARG  87  -8.198   3.484  10.150
  466    HA   PRO  88           HA       PRO  88 -13.206   0.411   3.622
  467   1HB   PRO  88          HB2       PRO  88 -10.650  -0.124   2.595
  468   2HB   PRO  88          HB3       PRO  88 -11.480   1.435   2.563
  469   1HG   PRO  88          HG2       PRO  88  -9.351   0.441   4.371
  470   2HG   PRO  88          HG3       PRO  88  -9.684   2.098   3.824
  471   1HD   PRO  88          HD2       PRO  88 -10.276   1.228   6.319
  472   2HD   PRO  88          HD3       PRO  88 -11.228   2.464   5.479
  473    H    ASN  89           HN       ASN  89 -13.124  -1.421   2.107
  474    HA   ASN  89           HA       ASN  89 -12.114  -3.911   3.306
  475   1HB   ASN  89          HB2       ASN  89 -13.951  -4.999   1.818
  476   2HB   ASN  89          HB3       ASN  89 -14.403  -4.264   3.345
  477   1HD2  ASN  89          HD21      ASN  89 -13.719  -2.602   0.284
  478   2HD2  ASN  89          HD22      ASN  89 -15.322  -1.957   0.087
  479    H    ILE  90           HN       ILE  90 -10.371  -4.617   2.285
  480    HA   ILE  90           HA       ILE  90  -9.310  -3.202   0.136
  481    HB   ILE  90           HB       ILE  90  -7.966  -4.393   1.815
  482   1HG1  ILE  90          HG12      ILE  90  -7.243  -5.318  -0.955
  483   2HG1  ILE  90          HG13      ILE  90  -7.099  -3.639  -0.442
  484   1HG2  ILE  90          HG21      ILE  90  -9.168  -6.509   1.923
  485   2HG2  ILE  90          HG22      ILE  90  -8.692  -6.879   0.265
  486   3HG2  ILE  90          HG23      ILE  90  -7.467  -6.781   1.533
  487   1HD1  ILE  90          HD11      ILE  90  -4.992  -4.911  -0.303
  488   2HD1  ILE  90          HD12      ILE  90  -5.513  -4.243   1.245
  489   3HD1  ILE  90          HD13      ILE  90  -5.745  -5.956   0.904
  490    H    LYS  91           HN       LYS  91 -10.944  -6.314   0.135
  491    HA   LYS  91           HA       LYS  91 -10.408  -7.133  -2.444
  492   1HB   LYS  91          HB2       LYS  91 -12.776  -8.220  -2.181
  493   2HB   LYS  91          HB3       LYS  91 -11.434  -8.732  -1.167
  494   1HG   LYS  91          HG2       LYS  91 -12.469  -6.727   0.334
  495   2HG   LYS  91          HG3       LYS  91 -13.924  -7.353  -0.453
  496   1HD   LYS  91          HD2       LYS  91 -13.458  -9.575   0.349
  497   2HD   LYS  91          HD3       LYS  91 -11.904  -9.056   1.003
  498   1HE   LYS  91          HE2       LYS  91 -13.212  -7.454   2.462
  499   2HE   LYS  91          HE3       LYS  91 -14.663  -8.321   1.956
  500   1HZ   LYS  91          HZ1       LYS  91 -12.324  -9.468   3.381
  501   2HZ   LYS  91          HZ2       LYS  91 -13.646 -10.372   2.814
  502   3HZ   LYS  91          HZ3       LYS  91 -13.871  -9.209   4.028
  503    H    ASP  92           HN       ASP  92 -12.533  -4.566  -1.430
  504    HA   ASP  92           HA       ASP  92 -13.248  -4.157  -4.261
  505   1HB   ASP  92          HB2       ASP  92 -15.205  -4.886  -2.879
  506   2HB   ASP  92          HB3       ASP  92 -14.989  -3.451  -1.885
  507    H    VAL  93           HN       VAL  93 -11.078  -3.171  -2.435
  508    HA   VAL  93           HA       VAL  93 -11.568  -0.281  -2.738
  509    HB   VAL  93           HB       VAL  93 -10.048  -1.781  -0.615
  510   1HG1  VAL  93          HG11      VAL  93  -8.492  -0.107  -1.409
  511   2HG1  VAL  93          HG12      VAL  93  -9.737   1.138  -1.309
  512   3HG1  VAL  93          HG13      VAL  93  -9.134   0.374   0.163
  513   1HG2  VAL  93          HG21      VAL  93 -12.122   0.406  -0.545
  514   2HG2  VAL  93          HG22      VAL  93 -12.371  -1.293  -0.154
  515   3HG2  VAL  93          HG23      VAL  93 -11.342  -0.294   0.871
  516    H    LEU  94           HN       LEU  94  -9.074  -2.797  -2.736
  517    HA   LEU  94           HA       LEU  94  -7.521  -1.153  -4.598
  518   1HB   LEU  94          HB2       LEU  94  -6.788  -3.452  -2.809
  519   2HB   LEU  94          HB3       LEU  94  -5.758  -2.967  -4.140
  520    HG   LEU  94           HG       LEU  94  -6.555  -1.185  -1.836
  521   1HD1  LEU  94          HD11      LEU  94  -5.067  -2.981  -1.128
  522   2HD1  LEU  94          HD12      LEU  94  -3.955  -2.592  -2.440
  523   3HD1  LEU  94          HD13      LEU  94  -4.221  -1.432  -1.137
  524   1HD2  LEU  94          HD21      LEU  94  -4.881   0.336  -2.741
  525   2HD2  LEU  94          HD22      LEU  94  -4.589  -0.770  -4.085
  526   3HD2  LEU  94          HD23      LEU  94  -6.154   0.027  -3.922
  527    H    ARG  95           HN       ARG  95  -6.777  -2.040  -6.513
  528    HA   ARG  95           HA       ARG  95  -7.670  -4.683  -7.281
  529   1HB   ARG  95          HB2       ARG  95  -8.444  -3.663  -9.537
  530   2HB   ARG  95          HB3       ARG  95  -9.539  -3.645  -8.167
  531   1HG   ARG  95          HG2       ARG  95  -7.816  -1.264  -8.664
  532   2HG   ARG  95          HG3       ARG  95  -9.231  -1.533  -9.682
  533   1HD   ARG  95          HD2       ARG  95  -9.151  -1.194  -6.686
  534   2HD   ARG  95          HD3       ARG  95  -9.892  -0.116  -7.869
  535    HE   ARG  95           HE       ARG  95 -11.054  -2.671  -8.067
  536   1HH1  ARG  95          HH1       ARG  95 -11.028   0.150  -5.981
  537   2HH1  ARG  95          HH1       ARG  95 -12.571  -0.220  -5.267
  538   1HH2  ARG  95          HH2       ARG  95 -13.068  -3.150  -7.142
  539   2HH2  ARG  95          HH2       ARG  95 -13.745  -2.095  -5.936
  540    H    GLU  96           HN       GLU  96  -6.346  -5.652  -8.684
  541    HA   GLU  96           HA       GLU  96  -3.707  -4.865  -8.885
  542   1HB   GLU  96          HB2       GLU  96  -5.267  -6.776 -10.636
  543   2HB   GLU  96          HB3       GLU  96  -3.510  -6.665 -10.587
  544   1HG   GLU  96          HG2       GLU  96  -3.358  -7.633  -8.522
  545   2HG   GLU  96          HG3       GLU  96  -4.969  -7.106  -8.037
  546    H    GLY  97           HN       GLY  97  -2.677  -3.450 -10.076
  547   1HA   GLY  97          HA1       GLY  97  -2.270  -2.359 -12.202
  548   2HA   GLY  97          HA2       GLY  97  -3.999  -2.414 -12.502
  549    H    GLN  98           HN       GLN  98  -4.052  -1.687  -9.413
  550    HA   GLN  98           HA       GLN  98  -4.022   1.193  -9.842
  551   1HB   GLN  98          HB2       GLN  98  -5.874   0.109  -8.561
  552   2HB   GLN  98          HB3       GLN  98  -4.705  -0.357  -7.336
  553   1HG   GLN  98          HG2       GLN  98  -4.182   2.010  -6.946
  554   2HG   GLN  98          HG3       GLN  98  -5.410   2.459  -8.125
  555   1HE2  GLN  98          HE21      GLN  98  -7.261   0.386  -7.299
  556   2HE2  GLN  98          HE22      GLN  98  -7.915   0.897  -5.781
  557    H    GLU  99           HN       GLU  99  -2.411   2.490  -9.202
  558    HA   GLU  99           HA       GLU  99  -0.049   1.311  -8.016
  559   1HB   GLU  99          HB2       GLU  99   0.917   3.584  -8.342
  560   2HB   GLU  99          HB3       GLU  99   0.300   2.857  -9.831
  561   1HG   GLU  99          HG2       GLU  99  -1.733   4.170  -9.635
  562   2HG   GLU  99          HG3       GLU  99  -1.149   4.857  -8.113
  563    H    VAL 100           HN       VAL 100   1.002   2.183  -6.178
  564    HA   VAL 100           HA       VAL 100  -0.597   3.907  -4.429
  565    HB   VAL 100           HB       VAL 100  -0.070   2.557  -2.486
  566   1HG1  VAL 100          HG11      VAL 100  -1.512   0.617  -2.924
  567   2HG1  VAL 100          HG12      VAL 100  -2.177   2.114  -3.576
  568   3HG1  VAL 100          HG13      VAL 100  -1.406   0.949  -4.653
  569   1HG2  VAL 100          HG21      VAL 100   1.145   0.582  -4.414
  570   2HG2  VAL 100          HG22      VAL 100   2.035   1.586  -3.263
  571   3HG2  VAL 100          HG23      VAL 100   0.932   0.335  -2.681
  572    H    ILE 101           HN       ILE 101   0.658   5.069  -2.894
  573    HA   ILE 101           HA       ILE 101   3.540   5.179  -3.454
  574    HB   ILE 101           HB       ILE 101   2.166   7.091  -1.599
  575   1HG1  ILE 101          HG12      ILE 101   0.697   7.037  -3.575
  576   2HG1  ILE 101          HG13      ILE 101   1.556   8.566  -3.459
  577   1HG2  ILE 101          HG21      ILE 101   3.847   8.639  -2.484
  578   2HG2  ILE 101          HG22      ILE 101   4.582   7.170  -1.841
  579   3HG2  ILE 101          HG23      ILE 101   4.415   7.383  -3.583
  580   1HD1  ILE 101          HD11      ILE 101   3.125   7.810  -5.164
  581   2HD1  ILE 101          HD12      ILE 101   2.257   6.278  -5.272
  582   3HD1  ILE 101          HD13      ILE 101   1.460   7.777  -5.745
  583    H    VAL 102           HN       VAL 102   4.711   3.904  -2.116
  584    HA   VAL 102           HA       VAL 102   3.935   3.639   0.696
  585    HB   VAL 102           HB       VAL 102   4.175   1.106   0.445
  586   1HG1  VAL 102          HG11      VAL 102   1.815   0.828  -0.123
  587   2HG1  VAL 102          HG12      VAL 102   2.059   2.203   0.957
  588   3HG1  VAL 102          HG13      VAL 102   1.774   2.471  -0.763
  589   1HG2  VAL 102          HG21      VAL 102   3.675   1.870  -2.427
  590   2HG2  VAL 102          HG22      VAL 102   5.084   1.029  -1.781
  591   3HG2  VAL 102          HG23      VAL 102   3.509   0.238  -1.784
  592    H    GLN 103           HN       GLN 103   5.569   3.003   2.043
  593    HA   GLN 103           HA       GLN 103   8.114   2.253   0.790
  594   1HB   GLN 103          HB2       GLN 103   9.339   3.526   2.469
  595   2HB   GLN 103          HB3       GLN 103   8.258   4.588   1.575
  596   1HG   GLN 103          HG2       GLN 103   6.674   4.547   3.419
  597   2HG   GLN 103          HG3       GLN 103   7.733   3.459   4.317
  598   1HE2  GLN 103          HE21      GLN 103   8.043   4.845   6.017
  599   2HE2  GLN 103          HE22      GLN 103   8.975   6.297   5.881
  600    H    ILE 104           HN       ILE 104   9.508   1.009   2.289
  601    HA   ILE 104           HA       ILE 104   7.836  -1.011   3.507
  602    HB   ILE 104           HB       ILE 104  10.789  -0.936   2.923
  603   1HG1  ILE 104          HG12      ILE 104   9.493  -1.117   0.925
  604   2HG1  ILE 104          HG13      ILE 104  10.102  -2.727   1.289
  605   1HG2  ILE 104          HG21      ILE 104  10.829  -3.314   3.498
  606   2HG2  ILE 104          HG22      ILE 104  10.408  -2.317   4.891
  607   3HG2  ILE 104          HG23      ILE 104   9.152  -3.210   4.032
  608   1HD1  ILE 104          HD11      ILE 104   7.319  -1.734   1.884
  609   2HD1  ILE 104          HD12      ILE 104   7.778  -2.793   0.551
  610   3HD1  ILE 104          HD13      ILE 104   7.935  -3.352   2.215
  611    H    ASP 105           HN       ASP 105   7.197  -0.770   5.453
  612    HA   ASP 105           HA       ASP 105   8.744   0.661   7.447
  613   1HB   ASP 105          HB2       ASP 105   6.236   0.861   7.212
  614   2HB   ASP 105          HB3       ASP 105   6.110  -0.801   7.774
  615    H    LYS 106           HN       LYS 106   7.607  -2.612   6.780
  616    HA   LYS 106           HA       LYS 106   9.449  -3.596   8.842
  617   1HB   LYS 106          HB2       LYS 106   7.069  -5.039   7.655
  618   2HB   LYS 106          HB3       LYS 106   8.163  -5.700   8.856
  619   1HG   LYS 106          HG2       LYS 106   6.291  -5.075  10.079
  620   2HG   LYS 106          HG3       LYS 106   7.420  -3.746  10.336
  621   1HD   LYS 106          HD2       LYS 106   6.263  -2.380   8.732
  622   2HD   LYS 106          HD3       LYS 106   5.234  -3.730   8.255
  623   1HE   LYS 106          HE2       LYS 106   4.020  -2.217   9.705
  624   2HE   LYS 106          HE3       LYS 106   4.258  -3.769  10.505
  625   1HZ   LYS 106          HZ1       LYS 106   5.971  -1.383  10.955
  626   2HZ   LYS 106          HZ2       LYS 106   6.001  -2.844  11.824
  627   3HZ   LYS 106          HZ3       LYS 106   4.659  -1.815  11.941
  628    H    GLU 107           HN       GLU 107  11.133  -4.798   8.203
  629    HA   GLU 107           HA       GLU 107  11.658  -4.800   5.372
  630   1HB   GLU 107          HB2       GLU 107  13.366  -5.461   7.768
  631   2HB   GLU 107          HB3       GLU 107  13.931  -5.414   6.117
  632   1HG   GLU 107          HG2       GLU 107  13.306  -3.018   6.017
  633   2HG   GLU 107          HG3       GLU 107  12.900  -3.109   7.733
  634    H    GLU 108           HN       GLU 108  12.575  -6.641   4.317
  635    HA   GLU 108           HA       GLU 108  11.188  -9.032   4.854
  636   1HB   GLU 108          HB2       GLU 108  12.628  -8.022   2.699
  637   2HB   GLU 108          HB3       GLU 108  13.544  -9.435   3.215
  638   1HG   GLU 108          HG2       GLU 108  10.625  -9.355   2.508
  639   2HG   GLU 108          HG3       GLU 108  11.920 -10.036   1.530
  640    H    ARG 109           HN       ARG 109  11.698 -10.734   5.945
  641    HA   ARG 109           HA       ARG 109  14.370 -11.129   7.015
  642   1HB   ARG 109          HB2       ARG 109  13.291 -11.492   9.318
  643   2HB   ARG 109          HB3       ARG 109  13.511  -9.832   8.789
  644   1HG   ARG 109          HG2       ARG 109  11.104  -9.961   7.968
  645   2HG   ARG 109          HG3       ARG 109  10.979 -11.435   8.923
  646   1HD   ARG 109          HD2       ARG 109  10.180  -9.470  10.161
  647   2HD   ARG 109          HD3       ARG 109  11.578 -10.212  10.935
  648    HE   ARG 109           HE       ARG 109  12.805  -8.350   9.555
  649   1HH1  ARG 109          HH1       ARG 109   9.758  -8.054  11.274
  650   2HH1  ARG 109          HH1       ARG 109  10.025  -6.390  11.697
  651   1HH2  ARG 109          HH2       ARG 109  13.133  -6.157  10.085
  652   2HH2  ARG 109          HH2       ARG 109  11.913  -5.301  10.984
  653    H    GLY 110           HN       GLY 110  12.064 -12.250   5.262
  654   1HA   GLY 110          HA1       GLY 110  11.840 -14.426   4.478
  655   2HA   GLY 110          HA2       GLY 110  12.637 -15.017   5.929
  656    H    ASN 111           HN       ASN 111  10.293 -12.870   6.880
  657    HA   ASN 111           HA       ASN 111   8.355 -15.049   7.233
  658   1HB   ASN 111          HB2       ASN 111   9.792 -14.813   9.244
  659   2HB   ASN 111          HB3       ASN 111   9.220 -13.157   9.421
  660   1HD2  ASN 111          HD21      ASN 111   8.356 -16.523   9.579
  661   2HD2  ASN 111          HD22      ASN 111   6.899 -16.316  10.494
  662    H    LYS 112           HN       LYS 112   8.866 -11.587   6.850
  663    HA   LYS 112           HA       LYS 112   5.961 -11.246   7.018
  664   1HB   LYS 112          HB2       LYS 112   7.016 -10.208   8.971
  665   2HB   LYS 112          HB3       LYS 112   8.076  -9.287   7.917
  666   1HG   LYS 112          HG2       LYS 112   6.282  -7.908   8.782
  667   2HG   LYS 112          HG3       LYS 112   6.160  -8.072   7.032
  668   1HD   LYS 112          HD2       LYS 112   3.970  -8.248   8.137
  669   2HD   LYS 112          HD3       LYS 112   4.403  -9.728   7.281
  670   1HE   LYS 112          HE2       LYS 112   5.004 -10.815   9.337
  671   2HE   LYS 112          HE3       LYS 112   4.814  -9.311  10.239
  672   1HZ   LYS 112          HZ1       LYS 112   2.567 -10.553   8.766
  673   2HZ   LYS 112          HZ2       LYS 112   2.503  -9.371   9.980
  674   3HZ   LYS 112          HZ3       LYS 112   2.926 -10.966  10.372
  675    H    GLY 113           HN       GLY 113   8.952 -10.038   5.665
  676   1HA   GLY 113          HA1       GLY 113   9.201 -10.146   3.301
  677   2HA   GLY 113          HA2       GLY 113   7.478  -9.863   3.142
  678    H    ALA 114           HN       ALA 114   8.123  -8.244   1.650
  679    HA   ALA 114           HA       ALA 114   9.229  -5.793   2.710
  680   1HB   ALA 114          HB1       ALA 114   9.715  -6.411   0.412
  681   2HB   ALA 114          HB2       ALA 114   7.992  -6.417   0.032
  682   3HB   ALA 114          HB3       ALA 114   8.795  -4.905   0.460
  683    H    ALA 115           HN       ALA 115   7.774  -5.185   4.354
  684    HA   ALA 115           HA       ALA 115   4.929  -5.192   3.781
  685   1HB   ALA 115          HB1       ALA 115   6.370  -4.297   6.265
  686   2HB   ALA 115          HB2       ALA 115   4.634  -4.550   6.097
  687   3HB   ALA 115          HB3       ALA 115   5.740  -5.920   5.974
  688    H    LEU 116           HN       LEU 116   3.763  -3.538   3.136
  689    HA   LEU 116           HA       LEU 116   5.109  -0.989   2.704
  690   1HB   LEU 116          HB2       LEU 116   2.337  -1.848   1.879
  691   2HB   LEU 116          HB3       LEU 116   3.195  -0.423   1.327
  692    HG   LEU 116           HG       LEU 116   4.088  -3.248   0.763
  693   1HD1  LEU 116          HD11      LEU 116   1.947  -2.837  -0.283
  694   2HD1  LEU 116          HD12      LEU 116   2.535  -1.311  -0.942
  695   3HD1  LEU 116          HD13      LEU 116   3.224  -2.836  -1.498
  696   1HD2  LEU 116          HD21      LEU 116   4.932  -0.580  -0.364
  697   2HD2  LEU 116          HD22      LEU 116   5.883  -1.608   0.703
  698   3HD2  LEU 116          HD23      LEU 116   5.492  -2.155  -0.926
  699    H    THR 117           HN       THR 117   4.661   0.831   3.777
  700    HA   THR 117           HA       THR 117   2.659   0.744   5.904
  701    HB   THR 117           HB       THR 117   4.998   1.576   6.349
  702    HG1  THR 117           HG1      THR 117   3.620   2.304   7.861
  703   1HG2  THR 117          HG21      THR 117   5.307   2.781   4.223
  704   2HG2  THR 117          HG22      THR 117   5.608   3.809   5.623
  705   3HG2  THR 117          HG23      THR 117   4.095   3.955   4.732
  706    H    THR 118           HN       THR 118   1.421   2.854   6.206
  707    HA   THR 118           HA       THR 118   0.806   4.137   3.635
  708    HB   THR 118           HB       THR 118  -1.522   4.502   4.695
  709    HG1  THR 118           HG1      THR 118  -2.088   2.839   6.164
  710   1HG2  THR 118          HG21      THR 118  -1.142   3.128   2.724
  711   2HG2  THR 118          HG22      THR 118  -2.302   2.339   3.793
  712   3HG2  THR 118          HG23      THR 118  -0.629   1.779   3.738
  713    H    PHE 119           HN       PHE 119   2.530   4.674   6.085
  714    HA   PHE 119           HA       PHE 119   1.481   7.154   7.129
  715   1HB   PHE 119          HB2       PHE 119   3.027   5.496   8.345
  716   2HB   PHE 119          HB3       PHE 119   4.324   6.162   7.360
  717    HD1  PHE 119           HD1      PHE 119   1.540   7.388   9.520
  718    HD2  PHE 119           HD2      PHE 119   5.599   7.803   8.316
  719    HE1  PHE 119           HE1      PHE 119   1.841   9.183  11.175
  720    HE2  PHE 119           HE2      PHE 119   5.909   9.601   9.964
  721    HZ   PHE 119           HZ       PHE 119   4.029  10.292  11.397
  722    H    ILE 120           HN       ILE 120   1.387   7.319   4.486
  723    HA   ILE 120           HA       ILE 120   3.582   9.124   3.711
  724    HB   ILE 120           HB       ILE 120   2.112   7.317   1.775
  725   1HG1  ILE 120          HG12      ILE 120   4.750   6.402   2.001
  726   2HG1  ILE 120          HG13      ILE 120   4.193   6.615   3.659
  727   1HG2  ILE 120          HG21      ILE 120   3.160   9.256   0.769
  728   2HG2  ILE 120          HG22      ILE 120   4.693   8.858   1.544
  729   3HG2  ILE 120          HG23      ILE 120   4.026   7.788   0.310
  730   1HD1  ILE 120          HD11      ILE 120   3.806   4.348   2.802
  731   2HD1  ILE 120          HD12      ILE 120   2.310   5.168   3.251
  732   3HD1  ILE 120          HD13      ILE 120   2.757   5.024   1.552
  733    H    SER 121           HN       SER 121   2.809  10.571   1.837
  734    HA   SER 121           HA       SER 121   0.380  11.864   2.544
  735   1HB   SER 121          HB2       SER 121   2.040  12.205   0.060
  736   2HB   SER 121          HB3       SER 121   0.897  13.363   0.733
  737    HG   SER 121           HG       SER 121   2.441  14.078   1.973
  738    H    LEU 122           HN       LEU 122  -0.920   9.856   2.268
  739    HA   LEU 122           HA       LEU 122  -1.829   9.540  -0.495
  740   1HB   LEU 122          HB2       LEU 122  -1.592   7.687   1.827
  741   2HB   LEU 122          HB3       LEU 122  -2.754   7.354   0.558
  742    HG   LEU 122           HG       LEU 122   0.180   7.737   0.004
  743   1HD1  LEU 122          HD11      LEU 122  -0.096   5.916   1.610
  744   2HD1  LEU 122          HD12      LEU 122  -1.289   5.163   0.550
  745   3HD1  LEU 122          HD13      LEU 122   0.388   5.314   0.025
  746   1HD2  LEU 122          HD21      LEU 122  -0.312   6.608  -2.059
  747   2HD2  LEU 122          HD22      LEU 122  -1.965   6.278  -1.541
  748   3HD2  LEU 122          HD23      LEU 122  -1.455   7.933  -1.869
  749    H    ALA 123           HN       ALA 123  -4.194   8.827  -0.488
  750    HA   ALA 123           HA       ALA 123  -6.381   9.170   0.004
  751   1HB   ALA 123          HB1       ALA 123  -5.437  10.119   2.713
  752   2HB   ALA 123          HB2       ALA 123  -7.096   9.728   2.261
  753   3HB   ALA 123          HB3       ALA 123  -5.871   8.460   2.302
  754    H    GLY 124           HN       GLY 124  -6.225  10.729  -1.662
  755   1HA   GLY 124          HA1       GLY 124  -5.595  13.457  -1.043
  756   2HA   GLY 124          HA2       GLY 124  -6.195  12.839  -2.575
  757    H    SER 125           HN       SER 125  -7.563  12.801   0.696
  758    HA   SER 125           HA       SER 125  -9.904  14.231  -0.360
  759   1HB   SER 125          HB2       SER 125 -11.040  13.203   1.715
  760   2HB   SER 125          HB3       SER 125 -10.658  12.112   0.381
  761    HG   SER 125           HG       SER 125  -9.007  12.519   2.658
  Start of MODEL    2
    1   1H    GLY  30           H1       GLY  30  18.714   5.302   0.283
    2   2H    GLY  30           H2       GLY  30  17.097   5.047  -0.156
    3   3H    GLY  30           H3       GLY  30  17.616   6.594   0.292
    4   1HA   GLY  30          HA2       GLY  30  18.567   5.113  -2.089
    5   2HA   GLY  30          HA1       GLY  30  17.328   6.361  -2.116
    6    H    SER  31           HN       SER  31  17.912   8.506  -2.005
    7    HA   SER  31           HA       SER  31  20.816   9.013  -2.082
    8   1HB   SER  31          HB2       SER  31  20.314  10.681  -3.897
    9   2HB   SER  31          HB3       SER  31  20.033   9.000  -4.355
   10    HG   SER  31           HG       SER  31  18.330  10.624  -4.878
   11    H    HIS  32           HN       HIS  32  18.182   9.600  -0.324
   12    HA   HIS  32           HA       HIS  32  17.567  11.149   1.216
   13   1HB   HIS  32          HB2       HIS  32  20.228  12.370   0.501
   14   2HB   HIS  32          HB3       HIS  32  19.140  13.112   1.666
   15    HD1  HIS  32           HD1      HIS  32  19.703  12.532   3.993
   16    HD2  HIS  32           HD2      HIS  32  20.736   9.490   1.348
   17    HE1  HIS  32           HE1      HIS  32  20.793  10.751   5.397
   18    HE2  HIS  32           HE2      HIS  32  21.551   8.996   3.749
   19    H    MET  33           HN       MET  33  18.184  12.013  -2.018
   20    HA   MET  33           HA       MET  33  17.035  14.632  -1.921
   21   1HB   MET  33          HB2       MET  33  17.546  12.798  -4.269
   22   2HB   MET  33          HB3       MET  33  17.093  14.494  -4.389
   23   1HG   MET  33          HG2       MET  33  19.156  15.178  -3.380
   24   2HG   MET  33          HG3       MET  33  19.592  13.505  -3.034
   25   1HE   MET  33          HE1       MET  33  19.353  15.268  -7.291
   26   2HE   MET  33          HE2       MET  33  17.926  14.915  -6.317
   27   3HE   MET  33          HE3       MET  33  19.035  16.197  -5.828
   28    H    LEU  34           HN       LEU  34  15.907  11.430  -2.235
   29    HA   LEU  34           HA       LEU  34  13.233  12.308  -3.029
   30   1HB   LEU  34          HB2       LEU  34  14.360   9.520  -2.808
   31   2HB   LEU  34          HB3       LEU  34  12.770   9.938  -3.416
   32    HG   LEU  34           HG       LEU  34  15.377  10.737  -4.717
   33   1HD1  LEU  34          HD11      LEU  34  14.776   9.094  -6.432
   34   2HD1  LEU  34          HD12      LEU  34  15.003   8.333  -4.856
   35   3HD1  LEU  34          HD13      LEU  34  13.376   8.612  -5.475
   36   1HD2  LEU  34          HD21      LEU  34  12.521  11.016  -5.653
   37   2HD2  LEU  34          HD22      LEU  34  13.574  12.332  -5.129
   38   3HD2  LEU  34          HD23      LEU  34  13.958  11.421  -6.591
   39    H    GLU  35           HN       GLU  35  14.899  10.317  -0.661
   40    HA   GLU  35           HA       GLU  35  12.563   9.921   0.934
   41   1HB   GLU  35          HB2       GLU  35  15.466   9.352   1.532
   42   2HB   GLU  35          HB3       GLU  35  14.115   8.845   2.534
   43   1HG   GLU  35          HG2       GLU  35  14.493   6.949   1.350
   44   2HG   GLU  35          HG3       GLU  35  13.284   7.730   0.333
   45    H    GLN  36           HN       GLN  36  15.420  11.955   1.155
   46    HA   GLN  36           HA       GLN  36  16.027  13.666   2.491
   47   1HB   GLN  36          HB2       GLN  36  13.784  14.593   2.043
   48   2HB   GLN  36          HB3       GLN  36  13.139  13.684   3.404
   49   1HG   GLN  36          HG2       GLN  36  13.532  16.028   3.959
   50   2HG   GLN  36          HG3       GLN  36  14.511  14.939   4.940
   51   1HE2  GLN  36          HE21      GLN  36  16.015  16.516   5.410
   52   2HE2  GLN  36          HE22      GLN  36  17.151  17.097   4.237
   53    H    LYS  37           HN       LYS  37  13.696  11.715   4.334
   54    HA   LYS  37           HA       LYS  37  15.850  10.874   6.122
   55   1HB   LYS  37          HB2       LYS  37  13.310  12.239   6.984
   56   2HB   LYS  37          HB3       LYS  37  14.180  11.157   8.062
   57   1HG   LYS  37          HG2       LYS  37  15.328  13.632   6.788
   58   2HG   LYS  37          HG3       LYS  37  14.729  13.512   8.446
   59   1HD   LYS  37          HD2       LYS  37  16.426  11.924   9.015
   60   2HD   LYS  37          HD3       LYS  37  16.940  11.791   7.331
   61   1HE   LYS  37          HE2       LYS  37  17.139  14.262   9.054
   62   2HE   LYS  37          HE3       LYS  37  18.471  13.186   8.631
   63   1HZ   LYS  37          HZ1       LYS  37  16.885  14.875   6.781
   64   2HZ   LYS  37          HZ2       LYS  37  18.017  13.723   6.272
   65   3HZ   LYS  37          HZ3       LYS  37  18.523  15.060   7.181
   66    H    LYS  38           HN       LYS  38  13.007  10.240   4.380
   67    HA   LYS  38           HA       LYS  38  11.986   8.144   6.040
   68   1HB   LYS  38          HB2       LYS  38  10.293   7.883   4.399
   69   2HB   LYS  38          HB3       LYS  38  10.603   9.611   4.535
   70   1HG   LYS  38          HG2       LYS  38  12.262   9.027   2.528
   71   2HG   LYS  38          HG3       LYS  38  11.072   7.744   2.288
   72   1HD   LYS  38          HD2       LYS  38  10.499  10.697   2.474
   73   2HD   LYS  38          HD3       LYS  38  10.513   9.740   0.995
   74   1HE   LYS  38          HE2       LYS  38   8.622   8.456   1.762
   75   2HE   LYS  38          HE3       LYS  38   8.660   9.272   3.325
   76   1HZ   LYS  38          HZ1       LYS  38   8.182  10.627   0.728
   77   2HZ   LYS  38          HZ2       LYS  38   8.104  11.337   2.265
   78   3HZ   LYS  38          HZ3       LYS  38   6.963  10.169   1.810
   79    H    ALA  39           HN       ALA  39  11.397   6.022   4.800
   80    HA   ALA  39           HA       ALA  39  13.835   4.810   3.819
   81   1HB   ALA  39          HB1       ALA  39  11.056   3.659   4.136
   82   2HB   ALA  39          HB2       ALA  39  12.514   2.744   3.747
   83   3HB   ALA  39          HB3       ALA  39  12.363   3.540   5.315
   84    H    ASN  40           HN       ASN  40  13.888   3.721   1.739
   85    HA   ASN  40           HA       ASN  40  13.297   5.332  -0.415
   86   1HB   ASN  40          HB2       ASN  40  14.869   3.354  -0.325
   87   2HB   ASN  40          HB3       ASN  40  13.462   2.327  -0.517
   88   1HD2  ASN  40          HD21      ASN  40  12.113   4.041  -2.451
   89   2HD2  ASN  40          HD22      ASN  40  13.014   3.919  -3.922
   90    H    ILE  41           HN       ILE  41  11.370   6.033  -0.967
   91    HA   ILE  41           HA       ILE  41   8.956   4.556  -0.490
   92    HB   ILE  41           HB       ILE  41   9.145   7.035  -0.286
   93   1HG1  ILE  41          HG12      ILE  41   7.013   7.537  -1.621
   94   2HG1  ILE  41          HG13      ILE  41   7.086   5.851  -2.130
   95   1HG2  ILE  41          HG21      ILE  41   9.073   8.423  -2.292
   96   2HG2  ILE  41          HG22      ILE  41  10.565   7.486  -2.194
   97   3HG2  ILE  41          HG23      ILE  41   9.278   6.985  -3.292
   98   1HD1  ILE  41          HD11      ILE  41   6.942   6.813   0.718
   99   2HD1  ILE  41          HD12      ILE  41   5.597   6.170  -0.226
  100   3HD1  ILE  41          HD13      ILE  41   6.961   5.130   0.184
  101    H    TYR  42           HN       TYR  42   7.573   3.617  -2.061
  102    HA   TYR  42           HA       TYR  42   8.780   3.355  -4.736
  103   1HB   TYR  42          HB2       TYR  42   7.244   1.211  -3.252
  104   2HB   TYR  42          HB3       TYR  42   7.990   1.055  -4.837
  105    HD1  TYR  42           HD1      TYR  42   8.438   0.642  -1.320
  106    HD2  TYR  42           HD2      TYR  42  10.537   1.294  -4.959
  107    HE1  TYR  42           HE1      TYR  42  10.513  -0.149  -0.258
  108    HE2  TYR  42           HE2      TYR  42  12.611   0.498  -3.912
  109    HH   TYR  42           HH       TYR  42  12.708  -1.150  -0.995
  110    H    LYS  43           HN       LYS  43   7.400   3.416  -6.455
  111    HA   LYS  43           HA       LYS  43   4.540   3.813  -5.859
  112   1HB   LYS  43          HB2       LYS  43   5.831   5.812  -6.806
  113   2HB   LYS  43          HB3       LYS  43   6.027   4.879  -8.278
  114   1HG   LYS  43          HG2       LYS  43   3.349   5.587  -7.103
  115   2HG   LYS  43          HG3       LYS  43   4.182   6.576  -8.301
  116   1HD   LYS  43          HD2       LYS  43   4.215   4.534  -9.785
  117   2HD   LYS  43          HD3       LYS  43   3.145   3.765  -8.608
  118   1HE   LYS  43          HE2       LYS  43   1.890   4.719 -10.467
  119   2HE   LYS  43          HE3       LYS  43   1.490   5.499  -8.942
  120   1HZ   LYS  43          HZ1       LYS  43   1.706   7.172 -10.572
  121   2HZ   LYS  43          HZ2       LYS  43   3.190   6.575 -11.121
  122   3HZ   LYS  43          HZ3       LYS  43   3.077   7.291  -9.587
  123    H    GLY  44           HN       GLY  44   3.578   1.944  -6.283
  124   1HA   GLY  44          HA1       GLY  44   4.209   0.561  -8.783
  125   2HA   GLY  44          HA2       GLY  44   4.426  -0.332  -7.282
  126    H    LYS  45           HN       LYS  45   2.771  -1.569  -8.774
  127    HA   LYS  45           HA       LYS  45   0.059  -0.569  -8.186
  128   1HB   LYS  45          HB2       LYS  45   1.035  -2.513 -10.275
  129   2HB   LYS  45          HB3       LYS  45  -0.667  -2.145  -9.968
  130   1HG   LYS  45          HG2       LYS  45  -0.403   0.102 -10.680
  131   2HG   LYS  45          HG3       LYS  45   1.353  -0.037 -10.724
  132   1HD   LYS  45          HD2       LYS  45   1.118  -1.730 -12.524
  133   2HD   LYS  45          HD3       LYS  45  -0.624  -1.450 -12.508
  134   1HE   LYS  45          HE2       LYS  45  -0.240   0.902 -13.080
  135   2HE   LYS  45          HE3       LYS  45   1.498   0.606 -13.116
  136   1HZ   LYS  45          HZ1       LYS  45   0.665   0.547 -15.337
  137   2HZ   LYS  45          HZ2       LYS  45  -0.548  -0.564 -14.920
  138   3HZ   LYS  45          HZ3       LYS  45   1.077  -1.042 -14.898
  139    H    ILE  46           HN       ILE  46  -1.566  -2.102  -7.691
  140    HA   ILE  46           HA       ILE  46  -0.807  -4.213  -5.939
  141    HB   ILE  46           HB       ILE  46  -3.390  -3.213  -7.076
  142   1HG1  ILE  46          HG12      ILE  46  -4.018  -3.143  -4.685
  143   2HG1  ILE  46          HG13      ILE  46  -2.459  -3.838  -4.262
  144   1HG2  ILE  46          HG21      ILE  46  -4.583  -5.088  -6.046
  145   2HG2  ILE  46          HG22      ILE  46  -3.539  -5.604  -7.371
  146   3HG2  ILE  46          HG23      ILE  46  -3.038  -5.864  -5.700
  147   1HD1  ILE  46          HD11      ILE  46  -2.529  -1.432  -3.880
  148   2HD1  ILE  46          HD12      ILE  46  -1.338  -1.855  -5.111
  149   3HD1  ILE  46          HD13      ILE  46  -2.892  -1.169  -5.586
  150    H    THR  47           HN       THR  47  -0.612  -6.359  -6.373
  151    HA   THR  47           HA       THR  47  -1.019  -7.189  -9.174
  152    HB   THR  47           HB       THR  47   1.027  -8.549  -8.971
  153    HG1  THR  47           HG1      THR  47   1.199  -7.223  -6.438
  154   1HG2  THR  47          HG21      THR  47   2.575  -6.648  -9.025
  155   2HG2  THR  47          HG22      THR  47   1.332  -5.629  -8.297
  156   3HG2  THR  47          HG23      THR  47   1.095  -6.299  -9.913
  157    H    ARG  48           HN       ARG  48  -1.470  -7.855  -5.870
  158    HA   ARG  48           HA       ARG  48  -3.091 -10.146  -6.526
  159   1HB   ARG  48          HB2       ARG  48  -0.726 -11.012  -6.093
  160   2HB   ARG  48          HB3       ARG  48  -0.932 -10.455  -4.437
  161   1HG   ARG  48          HG2       ARG  48  -3.081 -11.890  -4.462
  162   2HG   ARG  48          HG3       ARG  48  -2.342 -12.672  -5.859
  163   1HD   ARG  48          HD2       ARG  48  -0.313 -13.086  -4.442
  164   2HD   ARG  48          HD3       ARG  48  -1.229 -12.471  -3.065
  165    HE   ARG  48           HE       ARG  48  -2.763 -14.477  -4.232
  166   1HH1  ARG  48          HH1       ARG  48   0.336 -14.183  -2.647
  167   2HH1  ARG  48          HH1       ARG  48   0.279 -15.764  -1.940
  168   1HH2  ARG  48          HH2       ARG  48  -2.856 -16.561  -3.320
  169   2HH2  ARG  48          HH2       ARG  48  -1.536 -17.132  -2.330
  170    H    ILE  49           HN       ILE  49  -4.912  -9.825  -5.438
  171    HA   ILE  49           HA       ILE  49  -4.713  -8.689  -2.734
  172    HB   ILE  49           HB       ILE  49  -6.808  -8.032  -4.813
  173   1HG1  ILE  49          HG12      ILE  49  -5.038  -6.224  -3.180
  174   2HG1  ILE  49          HG13      ILE  49  -4.608  -6.781  -4.796
  175   1HG2  ILE  49          HG21      ILE  49  -7.900  -8.433  -2.663
  176   2HG2  ILE  49          HG22      ILE  49  -6.775  -7.321  -1.881
  177   3HG2  ILE  49          HG23      ILE  49  -7.923  -6.719  -3.078
  178   1HD1  ILE  49          HD11      ILE  49  -5.514  -4.616  -5.012
  179   2HD1  ILE  49          HD12      ILE  49  -6.740  -5.740  -5.598
  180   3HD1  ILE  49          HD13      ILE  49  -6.907  -5.018  -3.996
  181    H    GLU  50           HN       GLU  50  -4.987 -10.369  -1.510
  182    HA   GLU  50           HA       GLU  50  -6.933 -12.423  -2.261
  183   1HB   GLU  50          HB2       GLU  50  -4.637 -13.160  -1.806
  184   2HB   GLU  50          HB3       GLU  50  -4.712 -12.443  -0.211
  185   1HG   GLU  50          HG2       GLU  50  -4.977 -14.873  -0.182
  186   2HG   GLU  50          HG3       GLU  50  -6.370 -14.027   0.488
  187    HA   PRO  51           HA       PRO  51  -9.661 -10.324   0.653
  188   1HB   PRO  51          HB2       PRO  51 -11.285 -12.724  -0.023
  189   2HB   PRO  51          HB3       PRO  51 -11.732 -11.015  -0.057
  190   1HG   PRO  51          HG2       PRO  51 -11.284 -12.347  -2.320
  191   2HG   PRO  51          HG3       PRO  51 -10.761 -10.662  -2.131
  192   1HD   PRO  51          HD2       PRO  51  -9.146 -13.175  -2.010
  193   2HD   PRO  51          HD3       PRO  51  -8.727 -11.596  -2.705
  194    H    SER  52           HN       SER  52  -8.715 -13.703   0.601
  195    HA   SER  52           HA       SER  52  -9.725 -14.521   3.071
  196   1HB   SER  52          HB2       SER  52  -7.168 -15.466   1.764
  197   2HB   SER  52          HB3       SER  52  -8.167 -16.361   2.909
  198    HG   SER  52           HG       SER  52  -8.605 -15.798   0.193
  199    H    LEU  53           HN       LEU  53  -6.916 -12.603   2.282
  200    HA   LEU  53           HA       LEU  53  -6.212 -12.590   5.137
  201   1HB   LEU  53          HB2       LEU  53  -3.842 -12.153   4.372
  202   2HB   LEU  53          HB3       LEU  53  -4.462 -13.771   4.127
  203    HG   LEU  53           HG       LEU  53  -4.901 -13.126   1.716
  204   1HD1  LEU  53          HD11      LEU  53  -3.274 -10.725   2.522
  205   2HD1  LEU  53          HD12      LEU  53  -3.551 -11.228   0.856
  206   3HD1  LEU  53          HD13      LEU  53  -4.912 -10.741   1.867
  207   1HD2  LEU  53          HD21      LEU  53  -2.054 -13.050   2.701
  208   2HD2  LEU  53          HD22      LEU  53  -3.011 -14.501   2.394
  209   3HD2  LEU  53          HD23      LEU  53  -2.575 -13.432   1.060
  210    H    GLU  54           HN       GLU  54  -7.675 -10.748   2.984
  211    HA   GLU  54           HA       GLU  54  -7.986  -8.537   2.647
  212   1HB   GLU  54          HB2       GLU  54  -8.348  -7.262   4.741
  213   2HB   GLU  54          HB3       GLU  54  -9.165  -8.814   4.712
  214   1HG   GLU  54          HG2       GLU  54  -7.681  -9.743   6.271
  215   2HG   GLU  54          HG3       GLU  54  -6.515  -8.435   6.067
  216    H    ALA  55           HN       ALA  55  -5.670  -8.801   1.684
  217    HA   ALA  55           HA       ALA  55  -4.415  -6.319   2.266
  218   1HB   ALA  55          HB1       ALA  55  -2.837  -8.827   2.777
  219   2HB   ALA  55          HB2       ALA  55  -2.201  -7.181   2.797
  220   3HB   ALA  55          HB3       ALA  55  -3.388  -7.682   4.002
  221    H    ALA  56           HN       ALA  56  -2.609  -5.869   0.763
  222    HA   ALA  56           HA       ALA  56  -3.039  -7.321  -1.772
  223   1HB   ALA  56          HB1       ALA  56  -2.744  -5.191  -2.940
  224   2HB   ALA  56          HB2       ALA  56  -4.118  -5.156  -1.835
  225   3HB   ALA  56          HB3       ALA  56  -2.607  -4.367  -1.387
  226    H    PHE  57           HN       PHE  57  -1.353  -7.827  -2.996
  227    HA   PHE  57           HA       PHE  57   1.335  -7.293  -1.984
  228   1HB   PHE  57          HB2       PHE  57   0.279  -9.149  -4.122
  229   2HB   PHE  57          HB3       PHE  57   1.996  -8.910  -3.826
  230    HD1  PHE  57           HD1      PHE  57   3.073  -9.922  -1.947
  231    HD2  PHE  57           HD2      PHE  57  -1.134 -10.271  -2.465
  232    HE1  PHE  57           HE1      PHE  57   3.019 -11.703  -0.252
  233    HE2  PHE  57           HE2      PHE  57  -1.197 -12.051  -0.767
  234    HZ   PHE  57           HZ       PHE  57   0.881 -12.769   0.338
  235    H    VAL  58           HN       VAL  58   2.656  -5.881  -2.914
  236    HA   VAL  58           HA       VAL  58   1.879  -4.696  -5.498
  237    HB   VAL  58           HB       VAL  58   3.426  -3.509  -3.188
  238   1HG1  VAL  58          HG11      VAL  58   4.621  -2.949  -5.250
  239   2HG1  VAL  58          HG12      VAL  58   3.123  -2.346  -5.957
  240   3HG1  VAL  58          HG13      VAL  58   3.830  -1.531  -4.561
  241   1HG2  VAL  58          HG21      VAL  58   0.937  -2.652  -4.658
  242   2HG2  VAL  58          HG22      VAL  58   1.020  -3.315  -3.026
  243   3HG2  VAL  58          HG23      VAL  58   1.724  -1.734  -3.375
  244    H    ASP  59           HN       ASP  59   3.257  -4.817  -7.186
  245    HA   ASP  59           HA       ASP  59   5.670  -6.425  -6.747
  246   1HB   ASP  59          HB2       ASP  59   3.980  -7.267  -8.362
  247   2HB   ASP  59          HB3       ASP  59   4.236  -5.809  -9.338
  248    H    TYR  60           HN       TYR  60   7.289  -5.026  -6.277
  249    HA   TYR  60           HA       TYR  60   7.990  -3.197  -8.469
  250   1HB   TYR  60          HB2       TYR  60   9.148  -1.761  -6.773
  251   2HB   TYR  60          HB3       TYR  60   7.407  -1.828  -6.537
  252    HD1  TYR  60           HD1      TYR  60   6.533  -3.499  -4.762
  253    HD2  TYR  60           HD2      TYR  60  10.588  -2.234  -4.992
  254    HE1  TYR  60           HE1      TYR  60   6.863  -4.134  -2.412
  255    HE2  TYR  60           HE2      TYR  60  10.924  -2.868  -2.645
  256    HH   TYR  60           HH       TYR  60   8.687  -4.731  -0.905
  257    H    GLY  61           HN       GLY  61   8.913  -5.376  -9.146
  258   1HA   GLY  61          HA1       GLY  61  10.654  -6.859  -9.384
  259   2HA   GLY  61          HA2       GLY  61  11.677  -5.532  -8.852
  260    H    ALA  62           HN       ALA  62   9.150  -7.022  -6.916
  261    HA   ALA  62           HA       ALA  62  11.218  -7.813  -4.970
  262   1HB   ALA  62          HB1       ALA  62   9.786  -5.954  -4.220
  263   2HB   ALA  62          HB2       ALA  62   8.362  -6.971  -4.439
  264   3HB   ALA  62          HB3       ALA  62   9.569  -7.390  -3.218
  265    H    GLU  63           HN       GLU  63  11.185  -9.843  -4.143
  266    HA   GLU  63           HA       GLU  63   9.564 -11.798  -5.510
  267   1HB   GLU  63          HB2       GLU  63  11.818 -11.924  -3.545
  268   2HB   GLU  63          HB3       GLU  63  10.835 -13.355  -3.832
  269   1HG   GLU  63          HG2       GLU  63  12.264 -11.810  -5.982
  270   2HG   GLU  63          HG3       GLU  63  12.892 -13.262  -5.201
  271    H    ARG  64           HN       ARG  64   9.870 -10.636  -2.160
  272    HA   ARG  64           HA       ARG  64   7.702 -12.305  -1.276
  273   1HB   ARG  64          HB2       ARG  64   9.069  -9.987   0.097
  274   2HB   ARG  64          HB3       ARG  64   7.872 -11.031   0.847
  275   1HG   ARG  64          HG2       ARG  64  10.573 -11.879  -0.178
  276   2HG   ARG  64          HG3       ARG  64  10.113 -11.668   1.512
  277   1HD   ARG  64          HD2       ARG  64   8.395 -13.439   1.206
  278   2HD   ARG  64          HD3       ARG  64   9.004 -13.696  -0.429
  279    HE   ARG  64           HE       ARG  64  11.019 -13.902   1.631
  280   1HH1  ARG  64          HH1       ARG  64   8.577 -15.641  -0.193
  281   2HH1  ARG  64          HH1       ARG  64   9.320 -17.187   0.050
  282   1HH2  ARG  64          HH2       ARG  64  11.995 -15.949   1.948
  283   2HH2  ARG  64          HH2       ARG  64  11.250 -17.367   1.266
  284    H    HIS  65           HN       HIS  65   7.995  -9.380  -2.881
  285    HA   HIS  65           HA       HIS  65   6.552  -7.820  -3.638
  286   1HB   HIS  65          HB2       HIS  65   4.650  -9.946  -2.776
  287   2HB   HIS  65          HB3       HIS  65   4.001  -8.328  -3.027
  288    HD1  HIS  65           HD1      HIS  65   2.746  -9.904  -4.947
  289    HD2  HIS  65           HD2      HIS  65   6.696  -8.801  -5.588
  290    HE1  HIS  65           HE1      HIS  65   3.085 -10.032  -7.421
  291    HE2  HIS  65           HE2      HIS  65   5.448  -9.249  -7.813
  292    H    GLY  66           HN       GLY  66   5.630  -5.915  -2.961
  293   1HA   GLY  66          HA1       GLY  66   5.924  -5.274  -0.183
  294   2HA   GLY  66          HA2       GLY  66   5.302  -4.205  -1.436
  295    H    PHE  67           HN       PHE  67   4.545  -6.069   1.221
  296    HA   PHE  67           HA       PHE  67   1.797  -6.587   0.383
  297   1HB   PHE  67          HB2       PHE  67   3.388  -8.298   1.494
  298   2HB   PHE  67          HB3       PHE  67   3.048  -7.426   2.980
  299    HD1  PHE  67           HD1      PHE  67   0.676  -8.123   0.232
  300    HD2  PHE  67           HD2      PHE  67   1.897  -9.041   4.203
  301    HE1  PHE  67           HE1      PHE  67  -1.378  -9.434   0.557
  302    HE2  PHE  67           HE2      PHE  67  -0.152 -10.354   4.534
  303    HZ   PHE  67           HZ       PHE  67  -1.764 -10.616   2.650
  304    H    LEU  68           HN       LEU  68   0.532  -4.875   0.651
  305    HA   LEU  68           HA       LEU  68   0.756  -3.228   3.068
  306   1HB   LEU  68          HB2       LEU  68   0.228  -2.619   0.412
  307   2HB   LEU  68          HB3       LEU  68  -1.351  -2.553   1.163
  308    HG   LEU  68           HG       LEU  68   1.060  -0.915   1.914
  309   1HD1  LEU  68          HD11      LEU  68  -1.616  -0.172   0.747
  310   2HD1  LEU  68          HD12      LEU  68  -0.339   0.957   1.201
  311   3HD1  LEU  68          HD13      LEU  68  -0.078  -0.191  -0.112
  312   1HD2  LEU  68          HD21      LEU  68  -0.157  -1.500   3.922
  313   2HD2  LEU  68          HD22      LEU  68  -0.429   0.194   3.517
  314   3HD2  LEU  68          HD23      LEU  68  -1.676  -1.004   3.174
  315    HA   PRO  69           HA       PRO  69  -2.741  -5.609   4.658
  316   1HB   PRO  69          HB2       PRO  69  -2.599  -3.848   6.967
  317   2HB   PRO  69          HB3       PRO  69  -2.300  -5.582   6.877
  318   1HG   PRO  69          HG2       PRO  69  -0.359  -3.720   7.335
  319   2HG   PRO  69          HG3       PRO  69  -0.056  -5.308   6.606
  320   1HD   PRO  69          HD2       PRO  69  -0.241  -2.630   5.306
  321   2HD   PRO  69          HD3       PRO  69   0.770  -4.026   4.880
  322    H    LEU  70           HN       LEU  70  -4.862  -5.201   4.607
  323    HA   LEU  70           HA       LEU  70  -5.917  -2.901   3.443
  324   1HB   LEU  70          HB2       LEU  70  -7.237  -4.775   3.244
  325   2HB   LEU  70          HB3       LEU  70  -7.017  -5.237   4.907
  326    HG   LEU  70           HG       LEU  70  -8.515  -3.350   5.569
  327   1HD1  LEU  70          HD11      LEU  70  -8.985  -3.187   2.603
  328   2HD1  LEU  70          HD12      LEU  70  -9.908  -2.337   3.843
  329   3HD1  LEU  70          HD13      LEU  70  -8.201  -1.964   3.605
  330   1HD2  LEU  70          HD21      LEU  70  -9.374  -5.608   5.431
  331   2HD2  LEU  70          HD22      LEU  70 -10.584  -4.464   4.851
  332   3HD2  LEU  70          HD23      LEU  70  -9.653  -5.421   3.699
  333    H    LYS  71           HN       LYS  71  -5.419  -3.758   6.777
  334    HA   LYS  71           HA       LYS  71  -7.070  -1.884   8.012
  335   1HB   LYS  71          HB2       LYS  71  -5.627  -2.233   9.978
  336   2HB   LYS  71          HB3       LYS  71  -6.024  -3.751   9.169
  337   1HG   LYS  71          HG2       LYS  71  -3.837  -3.731   8.066
  338   2HG   LYS  71          HG3       LYS  71  -3.431  -2.234   8.906
  339   1HD   LYS  71          HD2       LYS  71  -4.105  -4.846  10.253
  340   2HD   LYS  71          HD3       LYS  71  -2.469  -4.248   9.971
  341   1HE   LYS  71          HE2       LYS  71  -4.575  -2.810  11.567
  342   2HE   LYS  71          HE3       LYS  71  -3.306  -3.817  12.254
  343   1HZ   LYS  71          HZ1       LYS  71  -2.880  -1.358  12.224
  344   2HZ   LYS  71          HZ2       LYS  71  -2.716  -1.470  10.540
  345   3HZ   LYS  71          HZ3       LYS  71  -1.657  -2.322  11.557
  346    H    GLU  72           HN       GLU  72  -4.144  -1.430   6.287
  347    HA   GLU  72           HA       GLU  72  -3.583   1.147   7.556
  348   1HB   GLU  72          HB2       GLU  72  -2.023  -0.194   5.343
  349   2HB   GLU  72          HB3       GLU  72  -1.479   1.096   6.410
  350   1HG   GLU  72          HG2       GLU  72  -2.100  -1.723   7.263
  351   2HG   GLU  72          HG3       GLU  72  -0.489  -1.083   6.944
  352    H    ILE  73           HN       ILE  73  -5.398  -0.054   5.025
  353    HA   ILE  73           HA       ILE  73  -4.589   1.287   2.769
  354    HB   ILE  73           HB       ILE  73  -7.256   0.231   3.591
  355   1HG1  ILE  73          HG12      ILE  73  -5.091  -0.498   1.635
  356   2HG1  ILE  73          HG13      ILE  73  -5.771  -1.461   2.940
  357   1HG2  ILE  73          HG21      ILE  73  -6.699   1.696   1.018
  358   2HG2  ILE  73          HG22      ILE  73  -8.131   0.721   1.343
  359   3HG2  ILE  73          HG23      ILE  73  -7.824   2.181   2.283
  360   1HD1  ILE  73          HD11      ILE  73  -6.470  -2.313   0.795
  361   2HD1  ILE  73          HD12      ILE  73  -7.856  -1.669   1.674
  362   3HD1  ILE  73          HD13      ILE  73  -7.136  -0.738   0.362
  363    H    ALA  74           HN       ALA  74  -4.592   3.202   2.036
  364    HA   ALA  74           HA       ALA  74  -5.583   5.432   3.542
  365   1HB   ALA  74          HB1       ALA  74  -4.476   6.754   1.817
  366   2HB   ALA  74          HB2       ALA  74  -3.412   5.478   2.409
  367   3HB   ALA  74          HB3       ALA  74  -4.223   5.298   0.851
  368    H    ARG  75           HN       ARG  75  -7.095   6.949   2.844
  369    HA   ARG  75           HA       ARG  75  -9.337   5.965   1.435
  370   1HB   ARG  75          HB2       ARG  75  -9.536   7.672   3.196
  371   2HB   ARG  75          HB3       ARG  75  -8.687   8.829   2.178
  372   1HG   ARG  75          HG2       ARG  75 -10.653   9.460   1.381
  373   2HG   ARG  75          HG3       ARG  75 -10.788   7.882   0.608
  374   1HD   ARG  75          HD2       ARG  75 -12.734   7.928   1.812
  375   2HD   ARG  75          HD3       ARG  75 -11.659   7.156   2.978
  376    HE   ARG  75           HE       ARG  75 -11.441   9.343   4.058
  377   1HH1  ARG  75          HH1       ARG  75 -14.141   8.820   1.897
  378   2HH1  ARG  75          HH1       ARG  75 -15.076  10.147   2.526
  379   1HH2  ARG  75          HH2       ARG  75 -12.683  11.060   4.930
  380   2HH2  ARG  75          HH2       ARG  75 -14.244  11.423   4.241
  381    H    GLU  76           HN       GLU  76  -6.421   7.397   0.281
  382    HA   GLU  76           HA       GLU  76  -7.478   8.430  -2.159
  383   1HB   GLU  76          HB2       GLU  76  -5.214   9.005  -1.282
  384   2HB   GLU  76          HB3       GLU  76  -4.692   7.365  -1.645
  385   1HG   GLU  76          HG2       GLU  76  -3.926   8.643  -3.445
  386   2HG   GLU  76          HG3       GLU  76  -5.383   7.849  -4.039
  387    H    TYR  77           HN       TYR  77  -7.050   5.301  -0.948
  388    HA   TYR  77           HA       TYR  77  -6.598   3.992  -3.489
  389   1HB   TYR  77          HB2       TYR  77  -7.253   2.857  -0.760
  390   2HB   TYR  77          HB3       TYR  77  -6.833   1.900  -2.173
  391    HD1  TYR  77           HD1      TYR  77  -4.848   4.636  -2.564
  392    HD2  TYR  77           HD2      TYR  77  -5.220   1.294   0.045
  393    HE1  TYR  77           HE1      TYR  77  -2.471   4.822  -1.997
  394    HE2  TYR  77           HE2      TYR  77  -2.836   1.479   0.622
  395    HH   TYR  77           HH       TYR  77  -0.775   2.406  -0.318
  396    H    PHE  78           HN       PHE  78  -9.190   3.961  -1.059
  397    HA   PHE  78           HA       PHE  78 -11.133   3.481  -3.202
  398   1HB   PHE  78          HB2       PHE  78 -12.774   3.096  -1.385
  399   2HB   PHE  78          HB3       PHE  78 -11.412   1.997  -1.273
  400    HD1  PHE  78           HD1      PHE  78  -9.468   2.839   0.311
  401    HD2  PHE  78           HD2      PHE  78 -13.516   4.119   0.542
  402    HE1  PHE  78           HE1      PHE  78  -9.123   3.492   2.656
  403    HE2  PHE  78           HE2      PHE  78 -13.179   4.775   2.888
  404    HZ   PHE  78           HZ       PHE  78 -11.020   4.491   3.943
  405    HA   PRO  79           HA       PRO  79 -11.009   7.773  -3.805
  406   1HB   PRO  79          HB2       PRO  79 -13.758   7.989  -4.498
  407   2HB   PRO  79          HB3       PRO  79 -12.377   7.835  -5.588
  408   1HG   PRO  79          HG2       PRO  79 -14.194   5.749  -4.516
  409   2HG   PRO  79          HG3       PRO  79 -13.410   5.841  -6.105
  410   1HD   PRO  79          HD2       PRO  79 -12.495   4.139  -4.297
  411   2HD   PRO  79          HD3       PRO  79 -11.338   5.113  -5.239
  412    H    ALA  80           HN       ALA  80 -11.165   9.447  -2.592
  413    HA   ALA  80           HA       ALA  80 -12.209   9.497  -0.035
  414   1HB   ALA  80          HB1       ALA  80 -10.420  10.926  -0.933
  415   2HB   ALA  80          HB2       ALA  80 -11.638  11.858  -1.804
  416   3HB   ALA  80          HB3       ALA  80 -11.645  11.833  -0.039
  417    H    ASN  81           HN       ASN  81 -13.988   9.722  -2.881
  418    HA   ASN  81           HA       ASN  81 -16.129  11.348  -1.820
  419   1HB   ASN  81          HB2       ASN  81 -15.561  11.179  -4.275
  420   2HB   ASN  81          HB3       ASN  81 -16.161   9.526  -4.241
  421   1HD2  ASN  81          HD21      ASN  81 -16.998  12.893  -4.037
  422   2HD2  ASN  81          HD22      ASN  81 -18.701  12.690  -4.288
  423    H    TYR  82           HN       TYR  82 -15.064   8.157  -1.599
  424    HA   TYR  82           HA       TYR  82 -17.649   7.054  -0.807
  425   1HB   TYR  82          HB2       TYR  82 -16.091   5.689  -2.179
  426   2HB   TYR  82          HB3       TYR  82 -14.886   5.801  -0.903
  427    HD1  TYR  82           HD1      TYR  82 -18.161   4.358  -1.818
  428    HD2  TYR  82           HD2      TYR  82 -14.978   4.379   1.008
  429    HE1  TYR  82           HE1      TYR  82 -19.086   2.336  -0.768
  430    HE2  TYR  82           HE2      TYR  82 -15.890   2.352   2.058
  431    HH   TYR  82           HH       TYR  82 -18.088   1.211   2.255
  432    H    SER  83           HN       SER  83 -18.299   7.264   1.240
  433    HA   SER  83           HA       SER  83 -16.713   8.392   3.271
  434   1HB   SER  83          HB2       SER  83 -19.175   8.535   3.239
  435   2HB   SER  83          HB3       SER  83 -19.279   6.801   3.541
  436    HG   SER  83           HG       SER  83 -17.803   8.441   5.296
  437    H    ALA  84           HN       ALA  84 -15.276   7.536   4.605
  438    HA   ALA  84           HA       ALA  84 -14.672   4.729   4.478
  439   1HB   ALA  84          HB1       ALA  84 -13.459   6.891   6.196
  440   2HB   ALA  84          HB2       ALA  84 -12.810   5.268   5.953
  441   3HB   ALA  84          HB3       ALA  84 -12.890   6.397   4.600
  442    H    HIS  85           HN       HIS  85 -16.749   4.035   5.281
  443    HA   HIS  85           HA       HIS  85 -17.486   4.551   7.997
  444   1HB   HIS  85          HB2       HIS  85 -19.330   2.978   7.575
  445   2HB   HIS  85          HB3       HIS  85 -19.222   4.200   6.321
  446    HD1  HIS  85           HD1      HIS  85 -20.015   0.838   6.584
  447    HD2  HIS  85           HD2      HIS  85 -17.431   2.929   4.083
  448    HE1  HIS  85           HE1      HIS  85 -19.656  -0.644   4.583
  449    HE2  HIS  85           HE2      HIS  85 -18.260   0.732   2.997
  450    H    GLY  86           HN       GLY  86 -16.472   3.676   9.634
  451   1HA   GLY  86          HA1       GLY  86 -15.432   2.126  10.962
  452   2HA   GLY  86          HA2       GLY  86 -15.984   0.874   9.859
  453    H    ARG  87           HN       ARG  87 -14.574   0.000   8.443
  454    HA   ARG  87           HA       ARG  87 -12.080   1.413   7.875
  455   1HB   ARG  87          HB2       ARG  87 -10.720  -0.538   8.218
  456   2HB   ARG  87          HB3       ARG  87 -11.639  -0.259   9.687
  457   1HG   ARG  87          HG2       ARG  87 -13.137  -2.057   9.163
  458   2HG   ARG  87          HG3       ARG  87 -12.398  -2.264   7.573
  459   1HD   ARG  87          HD2       ARG  87 -10.244  -2.781   8.730
  460   2HD   ARG  87          HD3       ARG  87 -11.122  -2.755  10.258
  461    HE   ARG  87           HE       ARG  87 -12.517  -4.601   9.196
  462   1HH1  ARG  87          HH1       ARG  87  -9.149  -4.044   8.441
  463   2HH1  ARG  87          HH1       ARG  87  -8.820  -5.700   8.015
  464   1HH2  ARG  87          HH2       ARG  87 -12.106  -6.787   8.625
  465   2HH2  ARG  87          HH2       ARG  87 -10.509  -7.264   8.123
  466    HA   PRO  88           HA       PRO  88 -12.947   0.292   3.693
  467   1HB   PRO  88          HB2       PRO  88 -10.301  -0.324   2.934
  468   2HB   PRO  88          HB3       PRO  88 -11.122   1.227   2.758
  469   1HG   PRO  88          HG2       PRO  88  -9.119   0.370   4.728
  470   2HG   PRO  88          HG3       PRO  88  -9.560   2.009   4.212
  471   1HD   PRO  88          HD2       PRO  88 -10.227   0.891   6.638
  472   2HD   PRO  88          HD3       PRO  88 -11.094   2.233   5.868
  473    H    ASN  89           HN       ASN  89 -12.884  -1.463   2.196
  474    HA   ASN  89           HA       ASN  89 -12.064  -4.060   3.318
  475   1HB   ASN  89          HB2       ASN  89 -13.965  -4.924   1.723
  476   2HB   ASN  89          HB3       ASN  89 -14.379  -4.286   3.310
  477   1HD2  ASN  89          HD21      ASN  89 -14.477  -3.747  -0.110
  478   2HD2  ASN  89          HD22      ASN  89 -15.581  -2.415  -0.079
  479    H    ILE  90           HN       ILE  90 -10.308  -4.726   2.254
  480    HA   ILE  90           HA       ILE  90  -9.252  -3.145   0.235
  481    HB   ILE  90           HB       ILE  90  -7.864  -4.381   1.816
  482   1HG1  ILE  90          HG12      ILE  90  -7.115  -5.258  -0.958
  483   2HG1  ILE  90          HG13      ILE  90  -7.115  -3.556  -0.502
  484   1HG2  ILE  90          HG21      ILE  90  -7.343  -6.746   1.470
  485   2HG2  ILE  90          HG22      ILE  90  -9.050  -6.516   1.852
  486   3HG2  ILE  90          HG23      ILE  90  -8.552  -6.831   0.187
  487   1HD1  ILE  90          HD11      ILE  90  -5.514  -4.045   1.274
  488   2HD1  ILE  90          HD12      ILE  90  -5.504  -5.741   0.783
  489   3HD1  ILE  90          HD13      ILE  90  -4.907  -4.501  -0.319
  490    H    LYS  91           HN       LYS  91 -10.697  -6.372  -0.090
  491    HA   LYS  91           HA       LYS  91  -9.941  -6.758  -2.757
  492   1HB   LYS  91          HB2       LYS  91 -11.645  -8.496  -2.821
  493   2HB   LYS  91          HB3       LYS  91 -10.726  -8.565  -1.324
  494   1HG   LYS  91          HG2       LYS  91 -12.549  -7.408  -0.164
  495   2HG   LYS  91          HG3       LYS  91 -13.479  -7.397  -1.665
  496   1HD   LYS  91          HD2       LYS  91 -13.171  -9.930  -1.668
  497   2HD   LYS  91          HD3       LYS  91 -12.632  -9.748   0.003
  498   1HE   LYS  91          HE2       LYS  91 -14.990 -10.300  -0.059
  499   2HE   LYS  91          HE3       LYS  91 -14.766  -8.663   0.556
  500   1HZ   LYS  91          HZ1       LYS  91 -15.428  -9.272  -2.271
  501   2HZ   LYS  91          HZ2       LYS  91 -15.437  -7.752  -1.515
  502   3HZ   LYS  91          HZ3       LYS  91 -16.591  -8.921  -1.091
  503    H    ASP  92           HN       ASP  92 -12.247  -4.610  -1.476
  504    HA   ASP  92           HA       ASP  92 -13.340  -4.185  -4.181
  505   1HB   ASP  92          HB2       ASP  92 -14.779  -3.685  -1.563
  506   2HB   ASP  92          HB3       ASP  92 -15.430  -3.399  -3.173
  507    H    VAL  93           HN       VAL  93 -11.034  -3.100  -2.571
  508    HA   VAL  93           HA       VAL  93 -11.724  -0.240  -2.749
  509    HB   VAL  93           HB       VAL  93 -10.020  -1.699  -0.742
  510   1HG1  VAL  93          HG11      VAL  93  -9.825   1.229  -1.441
  511   2HG1  VAL  93          HG12      VAL  93  -9.168   0.505   0.026
  512   3HG1  VAL  93          HG13      VAL  93  -8.550   0.019  -1.552
  513   1HG2  VAL  93          HG21      VAL  93 -12.324  -1.302  -0.134
  514   2HG2  VAL  93          HG22      VAL  93 -11.273  -0.280   0.845
  515   3HG2  VAL  93          HG23      VAL  93 -12.163   0.412  -0.513
  516    H    LEU  94           HN       LEU  94  -9.051  -2.569  -2.847
  517    HA   LEU  94           HA       LEU  94  -7.667  -0.851  -4.777
  518   1HB   LEU  94          HB2       LEU  94  -6.725  -3.241  -3.191
  519   2HB   LEU  94          HB3       LEU  94  -5.755  -2.422  -4.395
  520    HG   LEU  94           HG       LEU  94  -6.788  -1.138  -1.865
  521   1HD1  LEU  94          HD11      LEU  94  -4.458  -1.265  -1.110
  522   2HD1  LEU  94          HD12      LEU  94  -5.153  -2.867  -1.362
  523   3HD1  LEU  94          HD13      LEU  94  -4.046  -2.191  -2.555
  524   1HD2  LEU  94          HD21      LEU  94  -5.165   0.621  -2.453
  525   2HD2  LEU  94          HD22      LEU  94  -4.859  -0.203  -3.984
  526   3HD2  LEU  94          HD23      LEU  94  -6.458   0.458  -3.642
  527    H    ARG  95           HN       ARG  95  -6.649  -1.971  -6.602
  528    HA   ARG  95           HA       ARG  95  -7.631  -4.605  -7.273
  529   1HB   ARG  95          HB2       ARG  95  -8.466  -3.951  -9.494
  530   2HB   ARG  95          HB3       ARG  95  -9.414  -3.242  -8.197
  531   1HG   ARG  95          HG2       ARG  95  -7.194  -1.674  -9.408
  532   2HG   ARG  95          HG3       ARG  95  -8.725  -1.826 -10.274
  533   1HD   ARG  95          HD2       ARG  95  -8.419  -0.823  -7.445
  534   2HD   ARG  95          HD3       ARG  95  -8.584   0.206  -8.866
  535    HE   ARG  95           HE       ARG  95 -10.709  -1.725  -8.516
  536   1HH1  ARG  95          HH1       ARG  95  -9.579   1.536  -7.862
  537   2HH1  ARG  95          HH1       ARG  95 -11.176   2.161  -7.558
  538   1HH2  ARG  95          HH2       ARG  95 -12.798  -0.908  -8.094
  539   2HH2  ARG  95          HH2       ARG  95 -13.006   0.769  -7.698
  540    H    GLU  96           HN       GLU  96  -6.459  -5.573  -8.971
  541    HA   GLU  96           HA       GLU  96  -3.718  -4.974  -8.934
  542   1HB   GLU  96          HB2       GLU  96  -5.216  -6.711 -10.901
  543   2HB   GLU  96          HB3       GLU  96  -3.502  -6.805 -10.506
  544   1HG   GLU  96          HG2       GLU  96  -3.935  -7.648  -8.358
  545   2HG   GLU  96          HG3       GLU  96  -5.640  -7.205  -8.439
  546    H    GLY  97           HN       GLY  97  -2.653  -3.482 -10.008
  547   1HA   GLY  97          HA1       GLY  97  -2.102  -2.438 -12.134
  548   2HA   GLY  97          HA2       GLY  97  -3.815  -2.469 -12.523
  549    H    GLN  98           HN       GLN  98  -4.081  -1.681  -9.481
  550    HA   GLN  98           HA       GLN  98  -4.079   1.176 -10.003
  551   1HB   GLN  98          HB2       GLN  98  -5.934  -0.076  -8.760
  552   2HB   GLN  98          HB3       GLN  98  -4.810  -0.173  -7.410
  553   1HG   GLN  98          HG2       GLN  98  -4.793   2.138  -7.089
  554   2HG   GLN  98          HG3       GLN  98  -5.496   2.452  -8.675
  555   1HE2  GLN  98          HE21      GLN  98  -6.134   1.354  -5.431
  556   2HE2  GLN  98          HE22      GLN  98  -7.846   1.592  -5.476
  557    H    GLU  99           HN       GLU  99  -2.767   2.650  -9.047
  558    HA   GLU  99           HA       GLU  99  -0.241   1.616  -8.083
  559   1HB   GLU  99          HB2       GLU  99   0.547   3.912  -8.335
  560   2HB   GLU  99          HB3       GLU  99  -0.267   3.364  -9.805
  561   1HG   GLU  99          HG2       GLU  99  -2.321   4.504  -9.014
  562   2HG   GLU  99          HG3       GLU  99  -1.393   5.142  -7.660
  563    H    VAL 100           HN       VAL 100   0.819   2.364  -6.239
  564    HA   VAL 100           HA       VAL 100  -0.652   4.029  -4.338
  565    HB   VAL 100           HB       VAL 100  -0.040   2.627  -2.439
  566   1HG1  VAL 100          HG11      VAL 100  -2.221   2.253  -3.411
  567   2HG1  VAL 100          HG12      VAL 100  -1.545   1.080  -4.545
  568   3HG1  VAL 100          HG13      VAL 100  -1.552   0.734  -2.814
  569   1HG2  VAL 100          HG21      VAL 100   0.896   0.388  -2.749
  570   2HG2  VAL 100          HG22      VAL 100   1.028   0.685  -4.483
  571   3HG2  VAL 100          HG23      VAL 100   1.989   1.642  -3.348
  572    H    ILE 101           HN       ILE 101   0.745   5.137  -2.857
  573    HA   ILE 101           HA       ILE 101   3.595   5.093  -3.579
  574    HB   ILE 101           HB       ILE 101   2.374   7.096  -1.702
  575   1HG1  ILE 101          HG12      ILE 101   0.918   7.096  -3.688
  576   2HG1  ILE 101          HG13      ILE 101   1.857   8.577  -3.577
  577   1HG2  ILE 101          HG21      ILE 101   4.153   8.525  -2.629
  578   2HG2  ILE 101          HG22      ILE 101   4.780   7.042  -1.911
  579   3HG2  ILE 101          HG23      ILE 101   4.659   7.188  -3.664
  580   1HD1  ILE 101          HD11      ILE 101   1.736   7.766  -5.859
  581   2HD1  ILE 101          HD12      ILE 101   3.397   7.728  -5.264
  582   3HD1  ILE 101          HD13      ILE 101   2.460   6.236  -5.363
  583    H    VAL 102           HN       VAL 102   4.774   3.773  -2.280
  584    HA   VAL 102           HA       VAL 102   4.039   3.542   0.552
  585    HB   VAL 102           HB       VAL 102   4.212   0.997   0.274
  586   1HG1  VAL 102          HG11      VAL 102   2.139   2.133   0.854
  587   2HG1  VAL 102          HG12      VAL 102   1.831   2.472  -0.849
  588   3HG1  VAL 102          HG13      VAL 102   1.824   0.807  -0.267
  589   1HG2  VAL 102          HG21      VAL 102   3.473   0.177  -1.957
  590   2HG2  VAL 102          HG22      VAL 102   3.671   1.813  -2.585
  591   3HG2  VAL 102          HG23      VAL 102   5.070   0.922  -1.980
  592    H    GLN 103           HN       GLN 103   5.716   3.247   1.848
  593    HA   GLN 103           HA       GLN 103   8.257   2.352   0.657
  594   1HB   GLN 103          HB2       GLN 103   9.351   3.510   2.600
  595   2HB   GLN 103          HB3       GLN 103   8.529   4.596   1.486
  596   1HG   GLN 103          HG2       GLN 103   6.667   4.807   2.990
  597   2HG   GLN 103          HG3       GLN 103   7.355   3.596   4.069
  598   1HE2  GLN 103          HE21      GLN 103   9.029   4.147   5.413
  599   2HE2  GLN 103          HE22      GLN 103   9.476   5.788   5.719
  600    H    ILE 104           HN       ILE 104   9.474   0.821   1.839
  601    HA   ILE 104           HA       ILE 104   7.838  -1.047   3.264
  602    HB   ILE 104           HB       ILE 104  10.783  -1.054   2.611
  603   1HG1  ILE 104          HG12      ILE 104   9.400  -1.375   0.682
  604   2HG1  ILE 104          HG13      ILE 104  10.056  -2.942   1.136
  605   1HG2  ILE 104          HG21      ILE 104  10.842  -3.372   3.367
  606   2HG2  ILE 104          HG22      ILE 104  10.438  -2.281   4.694
  607   3HG2  ILE 104          HG23      ILE 104   9.173  -3.239   3.924
  608   1HD1  ILE 104          HD11      ILE 104   7.697  -3.054   0.481
  609   2HD1  ILE 104          HD12      ILE 104   7.956  -3.563   2.151
  610   3HD1  ILE 104          HD13      ILE 104   7.294  -1.966   1.810
  611    H    ASP 105           HN       ASP 105   7.184  -0.471   5.166
  612    HA   ASP 105           HA       ASP 105   8.861   0.971   7.023
  613   1HB   ASP 105          HB2       ASP 105   6.427   1.449   6.757
  614   2HB   ASP 105          HB3       ASP 105   6.076  -0.147   7.410
  615    H    LYS 106           HN       LYS 106   7.526  -2.252   6.610
  616    HA   LYS 106           HA       LYS 106   9.317  -3.161   8.758
  617   1HB   LYS 106          HB2       LYS 106   6.821  -4.485   7.676
  618   2HB   LYS 106          HB3       LYS 106   7.944  -5.272   8.761
  619   1HG   LYS 106          HG2       LYS 106   6.181  -4.546  10.112
  620   2HG   LYS 106          HG3       LYS 106   7.480  -3.389  10.390
  621   1HD   LYS 106          HD2       LYS 106   6.412  -1.781   8.931
  622   2HD   LYS 106          HD3       LYS 106   5.156  -2.950   8.505
  623   1HE   LYS 106          HE2       LYS 106   4.374  -2.978  10.807
  624   2HE   LYS 106          HE3       LYS 106   5.677  -1.895  11.288
  625   1HZ   LYS 106          HZ1       LYS 106   3.674  -0.642  11.040
  626   2HZ   LYS 106          HZ2       LYS 106   3.406  -1.252   9.484
  627   3HZ   LYS 106          HZ3       LYS 106   4.721  -0.215   9.776
  628    H    GLU 107           HN       GLU 107  11.009  -4.369   8.133
  629    HA   GLU 107           HA       GLU 107  11.645  -4.105   5.388
  630   1HB   GLU 107          HB2       GLU 107  13.185  -5.419   7.623
  631   2HB   GLU 107          HB3       GLU 107  13.830  -4.874   6.089
  632   1HG   GLU 107          HG2       GLU 107  13.375  -2.576   6.650
  633   2HG   GLU 107          HG3       GLU 107  12.589  -3.075   8.149
  634    H    GLU 108           HN       GLU 108  12.196  -5.610   3.902
  635    HA   GLU 108           HA       GLU 108  10.779  -8.056   3.897
  636   1HB   GLU 108          HB2       GLU 108  11.363  -6.749   1.871
  637   2HB   GLU 108          HB3       GLU 108  13.054  -7.153   2.120
  638   1HG   GLU 108          HG2       GLU 108  12.558  -9.506   1.791
  639   2HG   GLU 108          HG3       GLU 108  10.846  -9.128   1.591
  640    H    ARG 109           HN       ARG 109  11.384  -9.246   5.647
  641    HA   ARG 109           HA       ARG 109  14.170 -10.209   5.752
  642   1HB   ARG 109          HB2       ARG 109  12.116 -10.177   7.971
  643   2HB   ARG 109          HB3       ARG 109  13.810 -10.610   8.117
  644   1HG   ARG 109          HG2       ARG 109  14.522  -8.429   7.994
  645   2HG   ARG 109          HG3       ARG 109  13.058  -7.895   7.163
  646   1HD   ARG 109          HD2       ARG 109  11.761  -8.122   9.162
  647   2HD   ARG 109          HD3       ARG 109  13.114  -8.868  10.015
  648    HE   ARG 109           HE       ARG 109  13.826  -6.294   9.075
  649   1HH1  ARG 109          HH1       ARG 109  11.993  -7.915  11.579
  650   2HH1  ARG 109          HH1       ARG 109  12.107  -6.600  12.702
  651   1HH2  ARG 109          HH2       ARG 109  13.968  -4.546  10.528
  652   2HH2  ARG 109          HH2       ARG 109  13.224  -4.673  12.104
  653    H    GLY 110           HN       GLY 110  10.908 -11.189   6.685
  654   1HA   GLY 110          HA1       GLY 110  10.385 -13.451   5.418
  655   2HA   GLY 110          HA2       GLY 110  11.647 -13.993   6.523
  656    H    ASN 111           HN       ASN 111  10.735 -11.933   8.510
  657    HA   ASN 111           HA       ASN 111   8.939 -13.467  10.026
  658   1HB   ASN 111          HB2       ASN 111  10.391 -11.795  11.046
  659   2HB   ASN 111          HB3       ASN 111   9.591 -10.509  10.150
  660   1HD2  ASN 111          HD21      ASN 111   9.462 -12.605  12.877
  661   2HD2  ASN 111          HD22      ASN 111   8.063 -11.900  13.615
  662    H    LYS 112           HN       LYS 112   8.372 -10.467   8.185
  663    HA   LYS 112           HA       LYS 112   5.663 -11.445   7.680
  664   1HB   LYS 112          HB2       LYS 112   6.542  -8.596   8.142
  665   2HB   LYS 112          HB3       LYS 112   4.989  -9.022   7.439
  666   1HG   LYS 112          HG2       LYS 112   5.952  -9.822  10.180
  667   2HG   LYS 112          HG3       LYS 112   4.805  -8.530   9.825
  668   1HD   LYS 112          HD2       LYS 112   4.400 -11.452   9.173
  669   2HD   LYS 112          HD3       LYS 112   3.691 -10.609  10.551
  670   1HE   LYS 112          HE2       LYS 112   2.486  -9.127   9.043
  671   2HE   LYS 112          HE3       LYS 112   3.235  -9.905   7.651
  672   1HZ   LYS 112          HZ1       LYS 112   1.472 -11.291   9.603
  673   2HZ   LYS 112          HZ2       LYS 112   2.098 -11.936   8.162
  674   3HZ   LYS 112          HZ3       LYS 112   0.959 -10.681   8.102
  675    H    GLY 113           HN       GLY 113   8.425  -9.650   6.556
  676   1HA   GLY 113          HA1       GLY 113   9.292 -10.240   4.350
  677   2HA   GLY 113          HA2       GLY 113   7.621 -10.251   3.791
  678    H    ALA 114           HN       ALA 114   8.123  -8.702   2.232
  679    HA   ALA 114           HA       ALA 114   9.100  -6.108   2.994
  680   1HB   ALA 114          HB1       ALA 114   8.661  -5.516   0.642
  681   2HB   ALA 114          HB2       ALA 114   9.653  -6.964   0.809
  682   3HB   ALA 114          HB3       ALA 114   7.945  -7.112   0.397
  683    H    ALA 115           HN       ALA 115   7.646  -5.272   4.487
  684    HA   ALA 115           HA       ALA 115   4.810  -5.280   3.789
  685   1HB   ALA 115          HB1       ALA 115   5.968  -4.246   6.344
  686   2HB   ALA 115          HB2       ALA 115   4.339  -4.836   6.038
  687   3HB   ALA 115          HB3       ALA 115   5.696  -5.968   6.077
  688    H    LEU 116           HN       LEU 116   3.680  -3.531   3.255
  689    HA   LEU 116           HA       LEU 116   5.172  -1.072   2.786
  690   1HB   LEU 116          HB2       LEU 116   2.316  -1.753   2.086
  691   2HB   LEU 116          HB3       LEU 116   3.218  -0.363   1.525
  692    HG   LEU 116           HG       LEU 116   3.858  -3.227   0.830
  693   1HD1  LEU 116          HD11      LEU 116   1.773  -2.597  -0.170
  694   2HD1  LEU 116          HD12      LEU 116   2.450  -1.063  -0.715
  695   3HD1  LEU 116          HD13      LEU 116   3.027  -2.577  -1.411
  696   1HD2  LEU 116          HD21      LEU 116   5.385  -2.292  -0.789
  697   2HD2  LEU 116          HD22      LEU 116   4.940  -0.654  -0.307
  698   3HD2  LEU 116          HD23      LEU 116   5.796  -1.702   0.819
  699    H    THR 117           HN       THR 117   4.338   0.973   3.448
  700    HA   THR 117           HA       THR 117   2.591   0.858   5.815
  701    HB   THR 117           HB       THR 117   4.959   1.619   6.243
  702    HG1  THR 117           HG1      THR 117   4.152   2.878   7.766
  703   1HG2  THR 117          HG21      THR 117   5.342   2.798   4.145
  704   2HG2  THR 117          HG22      THR 117   5.580   3.879   5.519
  705   3HG2  THR 117          HG23      THR 117   4.098   3.975   4.566
  706    H    THR 118           HN       THR 118   1.365   2.950   6.119
  707    HA   THR 118           HA       THR 118   0.870   4.299   3.564
  708    HB   THR 118           HB       THR 118  -1.485   4.703   4.462
  709    HG1  THR 118           HG1      THR 118  -2.169   3.008   5.933
  710   1HG2  THR 118          HG21      THR 118  -2.275   2.528   3.619
  711   2HG2  THR 118          HG22      THR 118  -0.627   1.908   3.714
  712   3HG2  THR 118          HG23      THR 118  -1.014   3.213   2.596
  713    H    PHE 119           HN       PHE 119   2.615   4.833   5.915
  714    HA   PHE 119           HA       PHE 119   1.607   7.285   7.044
  715   1HB   PHE 119          HB2       PHE 119   3.304   5.749   8.148
  716   2HB   PHE 119          HB3       PHE 119   4.479   6.329   6.975
  717    HD1  PHE 119           HD1      PHE 119   1.978   7.777   9.341
  718    HD2  PHE 119           HD2      PHE 119   5.899   7.971   7.705
  719    HE1  PHE 119           HE1      PHE 119   2.496   9.673  10.818
  720    HE2  PHE 119           HE2      PHE 119   6.425   9.870   9.177
  721    HZ   PHE 119           HZ       PHE 119   4.721  10.725  10.737
  722    H    ILE 120           HN       ILE 120   1.207   7.439   4.459
  723    HA   ILE 120           HA       ILE 120   3.213   9.316   3.411
  724    HB   ILE 120           HB       ILE 120   1.652   7.296   1.763
  725   1HG1  ILE 120          HG12      ILE 120   4.387   6.763   1.512
  726   2HG1  ILE 120          HG13      ILE 120   4.131   7.006   3.236
  727   1HG2  ILE 120          HG21      ILE 120   2.198   9.294   0.510
  728   2HG2  ILE 120          HG22      ILE 120   3.890   9.159   0.995
  729   3HG2  ILE 120          HG23      ILE 120   3.173   7.934  -0.049
  730   1HD1  ILE 120          HD11      ILE 120   2.367   5.300   3.197
  731   2HD1  ILE 120          HD12      ILE 120   2.664   5.049   1.475
  732   3HD1  ILE 120          HD13      ILE 120   3.920   4.663   2.654
  733    H    SER 121           HN       SER 121   2.172  10.794   1.758
  734    HA   SER 121           HA       SER 121  -0.230  11.895   2.845
  735   1HB   SER 121          HB2       SER 121   1.213  12.602   0.298
  736   2HB   SER 121          HB3       SER 121   0.070  13.618   1.178
  737    HG   SER 121           HG       SER 121   1.717  13.171   3.000
  738    H    LEU 122           HN       LEU 122  -1.070   9.519   2.225
  739    HA   LEU 122           HA       LEU 122  -2.504   9.708  -0.341
  740   1HB   LEU 122          HB2       LEU 122  -1.268   7.462   1.171
  741   2HB   LEU 122          HB3       LEU 122  -2.671   7.128   0.176
  742    HG   LEU 122           HG       LEU 122  -0.242   8.467  -0.978
  743   1HD1  LEU 122          HD11      LEU 122   0.583   6.260  -1.599
  744   2HD1  LEU 122          HD12      LEU 122   0.503   6.427   0.156
  745   3HD1  LEU 122          HD13      LEU 122  -0.734   5.504  -0.698
  746   1HD2  LEU 122          HD21      LEU 122  -2.350   8.400  -2.285
  747   2HD2  LEU 122          HD22      LEU 122  -1.043   7.486  -3.039
  748   3HD2  LEU 122          HD23      LEU 122  -2.326   6.637  -2.176
  749    H    ALA 123           HN       ALA 123  -4.471  10.498   0.210
  750    HA   ALA 123           HA       ALA 123  -6.512   8.903   0.851
  751   1HB   ALA 123          HB1       ALA 123  -5.702  10.213   3.455
  752   2HB   ALA 123          HB2       ALA 123  -7.178   9.288   3.165
  753   3HB   ALA 123          HB3       ALA 123  -5.609   8.486   3.095
  754    H    GLY 124           HN       GLY 124  -8.388  10.320   2.092
  755   1HA   GLY 124          HA1       GLY 124  -8.209  13.126   1.437
  756   2HA   GLY 124          HA2       GLY 124  -9.302  12.201   0.413
  757    H    SER 125           HN       SER 125 -10.212  14.279   2.041
  758    HA   SER 125           HA       SER 125 -12.107  12.799   3.651
  759   1HB   SER 125          HB2       SER 125 -11.659  14.508   5.574
  760   2HB   SER 125          HB3       SER 125 -10.606  13.103   5.408
  761    HG   SER 125           HG       SER 125 -10.075  15.798   4.982
  Start of MODEL    3
    1   1H    GLY  30           H1       GLY  30  13.087  16.402  -6.214
    2   2H    GLY  30           H2       GLY  30  14.602  17.142  -6.071
    3   3H    GLY  30           H3       GLY  30  13.296  18.002  -6.724
    4   1HA   GLY  30          HA2       GLY  30  13.642  18.746  -4.491
    5   2HA   GLY  30          HA1       GLY  30  12.141  17.832  -4.571
    6    H    SER  31           HN       SER  31  14.534  18.361  -2.587
    7    HA   SER  31           HA       SER  31  15.893  16.044  -2.017
    8   1HB   SER  31          HB2       SER  31  14.880  18.070  -0.017
    9   2HB   SER  31          HB3       SER  31  16.208  16.938   0.240
   10    HG   SER  31           HG       SER  31  16.159  19.323  -1.124
   11    H    HIS  32           HN       HIS  32  13.126  17.040   0.052
   12    HA   HIS  32           HA       HIS  32  12.983  14.408   1.134
   13   1HB   HIS  32          HB2       HIS  32  11.275  15.193   2.560
   14   2HB   HIS  32          HB3       HIS  32  12.334  16.574   2.322
   15    HD1  HIS  32           HD1      HIS  32  11.355  18.631   1.162
   16    HD2  HIS  32           HD2      HIS  32   8.713  15.427   1.365
   17    HE1  HIS  32           HE1      HIS  32   9.105  19.560   0.514
   18    HE2  HIS  32           HE2      HIS  32   7.494  17.637   0.805
   19    H    MET  33           HN       MET  33  11.664  15.823  -1.655
   20    HA   MET  33           HA       MET  33   9.273  14.354  -1.879
   21   1HB   MET  33          HB2       MET  33  11.047  15.646  -3.931
   22   2HB   MET  33          HB3       MET  33   9.578  14.789  -4.378
   23   1HG   MET  33          HG2       MET  33   9.721  17.148  -2.517
   24   2HG   MET  33          HG3       MET  33   9.237  17.205  -4.213
   25   1HE   MET  33          HE1       MET  33   6.955  18.416  -3.536
   26   2HE   MET  33          HE2       MET  33   5.847  17.790  -2.315
   27   3HE   MET  33          HE3       MET  33   7.442  18.374  -1.841
   28    H    LEU  34           HN       LEU  34  12.558  13.657  -2.811
   29    HA   LEU  34           HA       LEU  34  11.843  11.173  -4.069
   30   1HB   LEU  34          HB2       LEU  34  14.397  12.605  -3.564
   31   2HB   LEU  34          HB3       LEU  34  14.466  10.875  -3.838
   32    HG   LEU  34           HG       LEU  34  14.889  12.110  -5.893
   33   1HD1  LEU  34          HD11      LEU  34  13.800   9.922  -6.022
   34   2HD1  LEU  34          HD12      LEU  34  12.222  10.707  -5.970
   35   3HD1  LEU  34          HD13      LEU  34  13.302  10.985  -7.338
   36   1HD2  LEU  34          HD21      LEU  34  13.155  13.436  -6.967
   37   2HD2  LEU  34          HD22      LEU  34  12.098  13.206  -5.572
   38   3HD2  LEU  34          HD23      LEU  34  13.595  14.123  -5.402
   39    H    GLU  35           HN       GLU  35  14.507  11.220  -1.825
   40    HA   GLU  35           HA       GLU  35  13.078   9.420  -0.017
   41   1HB   GLU  35          HB2       GLU  35  14.962   7.783  -0.154
   42   2HB   GLU  35          HB3       GLU  35  14.009   7.904  -1.630
   43   1HG   GLU  35          HG2       GLU  35  15.686   9.237  -2.679
   44   2HG   GLU  35          HG3       GLU  35  16.599   9.357  -1.177
   45    H    GLN  36           HN       GLN  36  14.560  12.142  -0.055
   46    HA   GLN  36           HA       GLN  36  16.838  11.905   1.597
   47   1HB   GLN  36          HB2       GLN  36  16.240  13.942   0.285
   48   2HB   GLN  36          HB3       GLN  36  14.915  14.222   1.410
   49   1HG   GLN  36          HG2       GLN  36  16.780  15.640   1.963
   50   2HG   GLN  36          HG3       GLN  36  16.522  14.453   3.241
   51   1HE2  GLN  36          HE21      GLN  36  18.048  13.710   0.181
   52   2HE2  GLN  36          HE22      GLN  36  19.626  13.432   0.825
   53    H    LYS  37           HN       LYS  37  16.809  10.983   3.532
   54    HA   LYS  37           HA       LYS  37  16.302  10.563   5.714
   55   1HB   LYS  37          HB2       LYS  37  16.117  13.109   5.733
   56   2HB   LYS  37          HB3       LYS  37  14.380  12.889   5.588
   57   1HG   LYS  37          HG2       LYS  37  14.413  11.589   7.682
   58   2HG   LYS  37          HG3       LYS  37  16.132  11.946   7.837
   59   1HD   LYS  37          HD2       LYS  37  15.587  14.363   7.812
   60   2HD   LYS  37          HD3       LYS  37  13.873  13.942   7.795
   61   1HE   LYS  37          HE2       LYS  37  14.533  14.457  10.048
   62   2HE   LYS  37          HE3       LYS  37  14.202  12.729   9.931
   63   1HZ   LYS  37          HZ1       LYS  37  16.585  12.326   9.753
   64   2HZ   LYS  37          HZ2       LYS  37  16.219  13.155  11.188
   65   3HZ   LYS  37          HZ3       LYS  37  16.895  13.989   9.872
   66    H    LYS  38           HN       LYS  38  14.791   9.536   3.416
   67    HA   LYS  38           HA       LYS  38  12.212   8.897   4.694
   68   1HB   LYS  38          HB2       LYS  38  11.825  10.315   2.799
   69   2HB   LYS  38          HB3       LYS  38  12.923   9.381   1.798
   70   1HG   LYS  38          HG2       LYS  38  11.357   7.469   1.918
   71   2HG   LYS  38          HG3       LYS  38  10.237   8.491   2.833
   72   1HD   LYS  38          HD2       LYS  38  11.296   9.208   0.104
   73   2HD   LYS  38          HD3       LYS  38   9.780   8.337   0.361
   74   1HE   LYS  38          HE2       LYS  38   8.918  10.215   1.664
   75   2HE   LYS  38          HE3       LYS  38  10.440  11.077   1.438
   76   1HZ   LYS  38          HZ1       LYS  38   8.709  11.813  -0.109
   77   2HZ   LYS  38          HZ2       LYS  38   8.616  10.251  -0.751
   78   3HZ   LYS  38          HZ3       LYS  38  10.036  11.147  -0.926
   79    H    ALA  39           HN       ALA  39  11.486   6.781   4.531
   80    HA   ALA  39           HA       ALA  39  13.351   4.684   4.101
   81   1HB   ALA  39          HB1       ALA  39  10.338   4.584   4.243
   82   2HB   ALA  39          HB2       ALA  39  11.422   3.197   4.345
   83   3HB   ALA  39          HB3       ALA  39  11.445   4.429   5.607
   84    H    ASN  40           HN       ASN  40  12.570   2.837   2.540
   85    HA   ASN  40           HA       ASN  40  13.050   3.806  -0.071
   86   1HB   ASN  40          HB2       ASN  40  12.118   1.109   0.881
   87   2HB   ASN  40          HB3       ASN  40  12.664   1.441  -0.757
   88   1HD2  ASN  40          HD21      ASN  40  13.585   0.945   2.530
   89   2HD2  ASN  40          HD22      ASN  40  15.293   0.875   2.270
   90    H    ILE  41           HN       ILE  41  11.412   5.234  -0.649
   91    HA   ILE  41           HA       ILE  41   8.645   4.459  -0.591
   92    HB   ILE  41           HB       ILE  41   9.357   6.821  -0.338
   93   1HG1  ILE  41          HG12      ILE  41   7.723   7.801  -1.986
   94   2HG1  ILE  41          HG13      ILE  41   7.577   6.197  -2.698
   95   1HG2  ILE  41          HG21      ILE  41  10.081   8.102  -2.291
   96   2HG2  ILE  41          HG22      ILE  41  11.228   6.826  -1.888
   97   3HG2  ILE  41          HG23      ILE  41  10.121   6.619  -3.245
   98   1HD1  ILE  41          HD11      ILE  41   6.727   5.326  -0.599
   99   2HD1  ILE  41          HD12      ILE  41   6.919   6.914   0.149
  100   3HD1  ILE  41          HD13      ILE  41   5.753   6.688  -1.156
  101    H    TYR  42           HN       TYR  42   7.419   3.632  -2.250
  102    HA   TYR  42           HA       TYR  42   8.649   3.486  -4.907
  103   1HB   TYR  42          HB2       TYR  42   7.408   1.148  -3.440
  104   2HB   TYR  42          HB3       TYR  42   7.850   1.141  -5.141
  105    HD1  TYR  42           HD1      TYR  42   8.973   0.560  -1.799
  106    HD2  TYR  42           HD2      TYR  42  10.312   1.528  -5.720
  107    HE1  TYR  42           HE1      TYR  42  11.245  -0.169  -1.199
  108    HE2  TYR  42           HE2      TYR  42  12.583   0.798  -5.132
  109    HH   TYR  42           HH       TYR  42  13.291  -0.965  -2.320
  110    H    LYS  43           HN       LYS  43   7.287   3.828  -6.518
  111    HA   LYS  43           HA       LYS  43   4.405   3.957  -5.927
  112   1HB   LYS  43          HB2       LYS  43   5.612   5.978  -6.892
  113   2HB   LYS  43          HB3       LYS  43   5.891   5.033  -8.344
  114   1HG   LYS  43          HG2       LYS  43   3.146   5.619  -7.265
  115   2HG   LYS  43          HG3       LYS  43   3.979   6.660  -8.416
  116   1HD   LYS  43          HD2       LYS  43   4.218   4.483  -9.816
  117   2HD   LYS  43          HD3       LYS  43   2.907   3.891  -8.790
  118   1HE   LYS  43          HE2       LYS  43   1.981   4.834 -10.802
  119   2HE   LYS  43          HE3       LYS  43   1.562   5.852  -9.426
  120   1HZ   LYS  43          HZ1       LYS  43   2.238   7.237 -11.232
  121   2HZ   LYS  43          HZ2       LYS  43   3.677   6.371 -11.444
  122   3HZ   LYS  43          HZ3       LYS  43   3.449   7.307 -10.048
  123    H    GLY  44           HN       GLY  44   3.516   2.046  -6.295
  124   1HA   GLY  44          HA1       GLY  44   4.268   0.602  -8.744
  125   2HA   GLY  44          HA2       GLY  44   4.346  -0.231  -7.196
  126    H    LYS  45           HN       LYS  45   2.814  -1.540  -8.684
  127    HA   LYS  45           HA       LYS  45   0.069  -0.541  -8.322
  128   1HB   LYS  45          HB2       LYS  45   1.160  -2.477 -10.367
  129   2HB   LYS  45          HB3       LYS  45  -0.550  -2.077 -10.161
  130   1HG   LYS  45          HG2       LYS  45  -0.302   0.038 -11.020
  131   2HG   LYS  45          HG3       LYS  45   1.412   0.127 -10.623
  132   1HD   LYS  45          HD2       LYS  45   1.812  -1.622 -12.380
  133   2HD   LYS  45          HD3       LYS  45   0.118  -1.443 -12.845
  134   1HE   LYS  45          HE2       LYS  45   0.475   0.898 -13.339
  135   2HE   LYS  45          HE3       LYS  45   2.143   0.780 -12.789
  136   1HZ   LYS  45          HZ1       LYS  45   0.971  -0.596 -15.141
  137   2HZ   LYS  45          HZ2       LYS  45   2.555  -0.814 -14.584
  138   3HZ   LYS  45          HZ3       LYS  45   2.062   0.702 -15.170
  139    H    ILE  46           HN       ILE  46  -1.519  -2.039  -7.802
  140    HA   ILE  46           HA       ILE  46  -0.780  -4.093  -5.995
  141    HB   ILE  46           HB       ILE  46  -3.299  -3.047  -7.154
  142   1HG1  ILE  46          HG12      ILE  46  -3.969  -3.095  -4.785
  143   2HG1  ILE  46          HG13      ILE  46  -2.460  -3.905  -4.379
  144   1HG2  ILE  46          HG21      ILE  46  -3.134  -5.793  -5.928
  145   2HG2  ILE  46          HG22      ILE  46  -4.613  -4.931  -6.348
  146   3HG2  ILE  46          HG23      ILE  46  -3.496  -5.430  -7.616
  147   1HD1  ILE  46          HD11      ILE  46  -1.213  -1.939  -5.126
  148   2HD1  ILE  46          HD12      ILE  46  -2.731  -1.133  -5.522
  149   3HD1  ILE  46          HD13      ILE  46  -2.360  -1.540  -3.846
  150    H    THR  47           HN       THR  47  -0.618  -6.266  -6.296
  151    HA   THR  47           HA       THR  47  -1.076  -7.254  -9.037
  152    HB   THR  47           HB       THR  47   0.942  -8.687  -8.737
  153    HG1  THR  47           HG1      THR  47   1.215  -7.059  -6.399
  154   1HG2  THR  47          HG21      THR  47   2.536  -6.851  -9.091
  155   2HG2  THR  47          HG22      THR  47   1.345  -5.711  -8.457
  156   3HG2  THR  47          HG23      THR  47   1.026  -6.570  -9.964
  157    H    ARG  48           HN       ARG  48  -1.329  -7.804  -5.637
  158    HA   ARG  48           HA       ARG  48  -2.965 -10.149  -6.161
  159   1HB   ARG  48          HB2       ARG  48  -0.867 -11.171  -5.712
  160   2HB   ARG  48          HB3       ARG  48  -0.548 -10.089  -4.385
  161   1HG   ARG  48          HG2       ARG  48  -2.292 -11.125  -3.062
  162   2HG   ARG  48          HG3       ARG  48  -2.722 -12.170  -4.418
  163   1HD   ARG  48          HD2       ARG  48  -0.007 -12.127  -3.111
  164   2HD   ARG  48          HD3       ARG  48  -1.297 -13.250  -2.669
  165    HE   ARG  48           HE       ARG  48  -0.930 -13.441  -5.423
  166   1HH1  ARG  48          HH1       ARG  48   0.805 -14.164  -2.467
  167   2HH1  ARG  48          HH1       ARG  48   1.801 -15.387  -3.201
  168   1HH2  ARG  48          HH2       ARG  48   0.330 -15.060  -6.383
  169   2HH2  ARG  48          HH2       ARG  48   1.521 -15.911  -5.437
  170    H    ILE  49           HN       ILE  49  -4.799  -9.963  -5.088
  171    HA   ILE  49           HA       ILE  49  -4.808  -8.747  -2.420
  172    HB   ILE  49           HB       ILE  49  -6.865  -8.035  -4.520
  173   1HG1  ILE  49          HG12      ILE  49  -4.867  -6.144  -3.313
  174   2HG1  ILE  49          HG13      ILE  49  -4.528  -6.996  -4.817
  175   1HG2  ILE  49          HG21      ILE  49  -7.614  -6.420  -2.824
  176   2HG2  ILE  49          HG22      ILE  49  -7.737  -8.089  -2.259
  177   3HG2  ILE  49          HG23      ILE  49  -6.411  -7.062  -1.706
  178   1HD1  ILE  49          HD11      ILE  49  -6.744  -5.053  -4.266
  179   2HD1  ILE  49          HD12      ILE  49  -5.366  -4.851  -5.355
  180   3HD1  ILE  49          HD13      ILE  49  -6.630  -6.025  -5.733
  181    H    GLU  50           HN       GLU  50  -5.579 -10.310  -1.164
  182    HA   GLU  50           HA       GLU  50  -7.697 -12.035  -2.276
  183   1HB   GLU  50          HB2       GLU  50  -5.127 -12.706  -1.154
  184   2HB   GLU  50          HB3       GLU  50  -6.414 -13.441  -0.208
  185   1HG   GLU  50          HG2       GLU  50  -5.470 -14.812  -2.109
  186   2HG   GLU  50          HG3       GLU  50  -7.224 -14.651  -2.046
  187    HA   PRO  51           HA       PRO  51 -10.095 -10.408   1.049
  188   1HB   PRO  51          HB2       PRO  51 -12.010 -12.551   0.645
  189   2HB   PRO  51          HB3       PRO  51 -12.164 -10.843   0.235
  190   1HG   PRO  51          HG2       PRO  51 -11.942 -12.863  -1.612
  191   2HG   PRO  51          HG3       PRO  51 -11.504 -11.175  -1.916
  192   1HD   PRO  51          HD2       PRO  51  -9.757 -13.514  -1.357
  193   2HD   PRO  51          HD3       PRO  51  -9.458 -12.098  -2.380
  194    H    SER  52           HN       SER  52  -9.078 -13.708   0.816
  195    HA   SER  52           HA       SER  52  -9.965 -14.552   3.382
  196   1HB   SER  52          HB2       SER  52  -8.039 -16.320   2.804
  197   2HB   SER  52          HB3       SER  52  -9.626 -16.368   2.028
  198    HG   SER  52           HG       SER  52  -7.178 -15.878   0.942
  199    H    LEU  53           HN       LEU  53  -7.364 -12.610   2.324
  200    HA   LEU  53           HA       LEU  53  -6.222 -12.775   5.021
  201   1HB   LEU  53          HB2       LEU  53  -3.996 -12.186   3.962
  202   2HB   LEU  53          HB3       LEU  53  -4.570 -13.823   3.741
  203    HG   LEU  53           HG       LEU  53  -5.433 -12.983   1.446
  204   1HD1  LEU  53          HD11      LEU  53  -3.384 -10.860   2.052
  205   2HD1  LEU  53          HD12      LEU  53  -4.156 -11.141   0.491
  206   3HD1  LEU  53          HD13      LEU  53  -5.118 -10.599   1.868
  207   1HD2  LEU  53          HD21      LEU  53  -3.231 -13.402   0.434
  208   2HD2  LEU  53          HD22      LEU  53  -2.491 -13.267   2.030
  209   3HD2  LEU  53          HD23      LEU  53  -3.627 -14.573   1.693
  210    H    GLU  54           HN       GLU  54  -7.722 -10.823   2.732
  211    HA   GLU  54           HA       GLU  54  -8.002  -8.617   2.466
  212   1HB   GLU  54          HB2       GLU  54  -8.412  -7.427   4.720
  213   2HB   GLU  54          HB3       GLU  54  -9.486  -8.715   4.210
  214   1HG   GLU  54          HG2       GLU  54  -8.188 -10.260   5.681
  215   2HG   GLU  54          HG3       GLU  54  -7.312  -8.852   6.284
  216    H    ALA  55           HN       ALA  55  -5.768  -8.734   1.662
  217    HA   ALA  55           HA       ALA  55  -4.492  -6.335   2.382
  218   1HB   ALA  55          HB1       ALA  55  -2.329  -7.205   3.064
  219   2HB   ALA  55          HB2       ALA  55  -3.588  -7.742   4.177
  220   3HB   ALA  55          HB3       ALA  55  -2.949  -8.854   2.967
  221    H    ALA  56           HN       ALA  56  -2.395  -6.114   0.984
  222    HA   ALA  56           HA       ALA  56  -2.831  -7.555  -1.544
  223   1HB   ALA  56          HB1       ALA  56  -4.109  -5.468  -1.603
  224   2HB   ALA  56          HB2       ALA  56  -2.627  -4.561  -1.302
  225   3HB   ALA  56          HB3       ALA  56  -2.807  -5.487  -2.793
  226    H    PHE  57           HN       PHE  57  -1.066  -7.924  -2.758
  227    HA   PHE  57           HA       PHE  57   1.508  -6.917  -1.791
  228   1HB   PHE  57          HB2       PHE  57   0.779  -9.086  -3.731
  229   2HB   PHE  57          HB3       PHE  57   2.398  -8.431  -3.679
  230    HD1  PHE  57           HD1      PHE  57   3.713  -8.636  -1.554
  231    HD2  PHE  57           HD2      PHE  57   0.063 -10.717  -2.213
  232    HE1  PHE  57           HE1      PHE  57   4.311 -10.235   0.219
  233    HE2  PHE  57           HE2      PHE  57   0.648 -12.317  -0.436
  234    HZ   PHE  57           HZ       PHE  57   2.777 -12.076   0.784
  235    H    VAL  58           HN       VAL  58   2.630  -5.463  -2.812
  236    HA   VAL  58           HA       VAL  58   1.708  -4.489  -5.434
  237    HB   VAL  58           HB       VAL  58   3.273  -3.084  -3.254
  238   1HG1  VAL  58          HG11      VAL  58   2.642  -2.066  -6.022
  239   2HG1  VAL  58          HG12      VAL  58   3.407  -1.148  -4.725
  240   3HG1  VAL  58          HG13      VAL  58   4.239  -2.529  -5.438
  241   1HG2  VAL  58          HG21      VAL  58   0.624  -2.487  -4.563
  242   2HG2  VAL  58          HG22      VAL  58   0.865  -3.116  -2.932
  243   3HG2  VAL  58          HG23      VAL  58   1.414  -1.490  -3.343
  244    H    ASP  59           HN       ASP  59   2.969  -4.833  -7.139
  245    HA   ASP  59           HA       ASP  59   5.651  -5.902  -6.674
  246   1HB   ASP  59          HB2       ASP  59   3.918  -7.075  -8.154
  247   2HB   ASP  59          HB3       ASP  59   4.201  -5.766  -9.314
  248    H    TYR  60           HN       TYR  60   7.132  -4.361  -6.546
  249    HA   TYR  60           HA       TYR  60   7.167  -2.296  -8.644
  250   1HB   TYR  60          HB2       TYR  60   8.368  -0.870  -6.893
  251   2HB   TYR  60          HB3       TYR  60   6.652  -1.141  -6.610
  252    HD1  TYR  60           HD1      TYR  60   5.913  -2.614  -4.781
  253    HD2  TYR  60           HD2      TYR  60  10.038  -1.812  -5.419
  254    HE1  TYR  60           HE1      TYR  60   6.416  -3.446  -2.527
  255    HE2  TYR  60           HE2      TYR  60  10.552  -2.644  -3.168
  256    HH   TYR  60           HH       TYR  60   9.376  -2.912  -0.999
  257    H    GLY  61           HN       GLY  61   8.380  -4.219  -9.619
  258   1HA   GLY  61          HA1       GLY  61  10.317  -5.352 -10.136
  259   2HA   GLY  61          HA2       GLY  61  11.144  -3.875  -9.653
  260    H    ALA  62           HN       ALA  62   9.147  -5.910  -7.591
  261    HA   ALA  62           HA       ALA  62  11.518  -6.408  -5.911
  262   1HB   ALA  62          HB1       ALA  62   8.661  -5.998  -4.998
  263   2HB   ALA  62          HB2       ALA  62  10.042  -6.327  -3.946
  264   3HB   ALA  62          HB3       ALA  62   9.964  -4.818  -4.860
  265    H    GLU  63           HN       GLU  63  12.086  -8.455  -6.024
  266    HA   GLU  63           HA       GLU  63  10.403 -10.606  -6.776
  267   1HB   GLU  63          HB2       GLU  63  12.686 -11.224  -4.984
  268   2HB   GLU  63          HB3       GLU  63  12.244 -11.946  -6.522
  269   1HG   GLU  63          HG2       GLU  63  14.273 -10.921  -6.962
  270   2HG   GLU  63          HG3       GLU  63  13.091  -9.758  -7.561
  271    H    ARG  64           HN       ARG  64  11.065  -8.985  -3.831
  272    HA   ARG  64           HA       ARG  64   9.902 -10.980  -2.094
  273   1HB   ARG  64          HB2       ARG  64  10.528  -8.110  -1.408
  274   2HB   ARG  64          HB3       ARG  64  10.462  -9.494  -0.325
  275   1HG   ARG  64          HG2       ARG  64  12.502 -10.358  -1.157
  276   2HG   ARG  64          HG3       ARG  64  12.503  -9.231  -2.516
  277   1HD   ARG  64          HD2       ARG  64  12.837  -8.554   0.402
  278   2HD   ARG  64          HD3       ARG  64  14.080  -8.492  -0.846
  279    HE   ARG  64           HE       ARG  64  11.814  -6.644  -0.555
  280   1HH1  ARG  64          HH1       ARG  64  14.813  -7.527  -2.132
  281   2HH1  ARG  64          HH1       ARG  64  15.095  -5.932  -2.764
  282   1HH2  ARG  64          HH2       ARG  64  12.191  -4.540  -1.388
  283   2HH2  ARG  64          HH2       ARG  64  13.609  -4.237  -2.347
  284    H    HIS  65           HN       HIS  65   8.765  -8.633  -4.179
  285    HA   HIS  65           HA       HIS  65   6.861  -7.449  -4.465
  286   1HB   HIS  65          HB2       HIS  65   6.048  -9.888  -3.062
  287   2HB   HIS  65          HB3       HIS  65   4.917  -8.555  -2.829
  288    HD1  HIS  65           HD1      HIS  65   3.297 -10.123  -4.322
  289    HD2  HIS  65           HD2      HIS  65   6.578  -8.468  -6.253
  290    HE1  HIS  65           HE1      HIS  65   2.714 -10.112  -6.763
  291    HE2  HIS  65           HE2      HIS  65   4.742  -9.168  -7.926
  292    H    GLY  66           HN       GLY  66   4.822  -6.725  -2.641
  293   1HA   GLY  66          HA1       GLY  66   6.070  -5.859  -0.169
  294   2HA   GLY  66          HA2       GLY  66   5.577  -4.560  -1.253
  295    H    PHE  67           HN       PHE  67   4.586  -6.124   1.381
  296    HA   PHE  67           HA       PHE  67   1.850  -6.617   0.435
  297   1HB   PHE  67          HB2       PHE  67   3.319  -8.411   1.538
  298   2HB   PHE  67          HB3       PHE  67   3.026  -7.541   3.027
  299    HD1  PHE  67           HD1      PHE  67   0.767  -8.406   0.192
  300    HD2  PHE  67           HD2      PHE  67   1.627  -8.835   4.344
  301    HE1  PHE  67           HE1      PHE  67  -1.355  -9.609   0.508
  302    HE2  PHE  67           HE2      PHE  67  -0.488 -10.040   4.656
  303    HZ   PHE  67           HZ       PHE  67  -1.895 -10.584   2.700
  304    H    LEU  68           HN       LEU  68   0.521  -5.026   0.783
  305    HA   LEU  68           HA       LEU  68   0.797  -3.307   3.139
  306   1HB   LEU  68          HB2       LEU  68   0.220  -2.765   0.480
  307   2HB   LEU  68          HB3       LEU  68  -1.349  -2.689   1.253
  308    HG   LEU  68           HG       LEU  68   1.068  -1.038   1.964
  309   1HD1  LEU  68          HD11      LEU  68  -0.313   0.827   1.194
  310   2HD1  LEU  68          HD12      LEU  68  -0.031  -0.345  -0.093
  311   3HD1  LEU  68          HD13      LEU  68  -1.587  -0.305   0.736
  312   1HD2  LEU  68          HD21      LEU  68  -0.184  -1.571   3.967
  313   2HD2  LEU  68          HD22      LEU  68  -0.427   0.117   3.520
  314   3HD2  LEU  68          HD23      LEU  68  -1.688  -1.073   3.187
  315    HA   PRO  69           HA       PRO  69  -2.605  -5.729   4.940
  316   1HB   PRO  69          HB2       PRO  69  -2.277  -3.710   7.075
  317   2HB   PRO  69          HB3       PRO  69  -2.228  -5.472   7.182
  318   1HG   PRO  69          HG2       PRO  69  -0.003  -4.010   7.423
  319   2HG   PRO  69          HG3       PRO  69   0.010  -5.577   6.592
  320   1HD   PRO  69          HD2       PRO  69  -0.020  -2.813   5.427
  321   2HD   PRO  69          HD3       PRO  69   0.906  -4.241   4.915
  322    H    LEU  70           HN       LEU  70  -4.771  -5.342   5.062
  323    HA   LEU  70           HA       LEU  70  -5.777  -3.084   3.705
  324   1HB   LEU  70          HB2       LEU  70  -6.964  -5.083   3.450
  325   2HB   LEU  70          HB3       LEU  70  -7.070  -5.343   5.174
  326    HG   LEU  70           HG       LEU  70  -8.653  -3.473   5.363
  327   1HD1  LEU  70          HD11      LEU  70  -9.604  -2.478   3.326
  328   2HD1  LEU  70          HD12      LEU  70  -7.888  -2.112   3.508
  329   3HD1  LEU  70          HD13      LEU  70  -8.408  -3.344   2.360
  330   1HD2  LEU  70          HD21      LEU  70 -10.536  -4.569   4.244
  331   2HD2  LEU  70          HD22      LEU  70  -9.408  -5.547   3.304
  332   3HD2  LEU  70          HD23      LEU  70  -9.494  -5.734   5.056
  333    H    LYS  71           HN       LYS  71  -5.273  -3.772   7.055
  334    HA   LYS  71           HA       LYS  71  -7.080  -1.799   8.044
  335   1HB   LYS  71          HB2       LYS  71  -5.956  -2.169  10.206
  336   2HB   LYS  71          HB3       LYS  71  -6.411  -3.679   9.434
  337   1HG   LYS  71          HG2       LYS  71  -4.085  -3.934   8.647
  338   2HG   LYS  71          HG3       LYS  71  -3.654  -2.473   9.539
  339   1HD   LYS  71          HD2       LYS  71  -4.498  -3.594  11.610
  340   2HD   LYS  71          HD3       LYS  71  -4.692  -5.069  10.662
  341   1HE   LYS  71          HE2       LYS  71  -2.607  -5.226  11.786
  342   2HE   LYS  71          HE3       LYS  71  -2.262  -4.909  10.086
  343   1HZ   LYS  71          HZ1       LYS  71  -1.999  -2.528  10.684
  344   2HZ   LYS  71          HZ2       LYS  71  -0.858  -3.546  11.429
  345   3HZ   LYS  71          HZ3       LYS  71  -2.173  -2.957  12.322
  346    H    GLU  72           HN       GLU  72  -4.128  -1.578   6.475
  347    HA   GLU  72           HA       GLU  72  -3.451   1.004   7.694
  348   1HB   GLU  72          HB2       GLU  72  -1.920  -0.391   5.499
  349   2HB   GLU  72          HB3       GLU  72  -1.344   0.852   6.604
  350   1HG   GLU  72          HG2       GLU  72  -2.052  -1.971   7.365
  351   2HG   GLU  72          HG3       GLU  72  -0.424  -1.361   7.089
  352    H    ILE  73           HN       ILE  73  -5.219  -0.283   5.151
  353    HA   ILE  73           HA       ILE  73  -4.405   0.993   2.867
  354    HB   ILE  73           HB       ILE  73  -7.033  -0.104   3.741
  355   1HG1  ILE  73          HG12      ILE  73  -5.112  -1.514   2.946
  356   2HG1  ILE  73          HG13      ILE  73  -6.599  -1.731   2.034
  357   1HG2  ILE  73          HG21      ILE  73  -8.005   0.351   1.539
  358   2HG2  ILE  73          HG22      ILE  73  -7.686   1.834   2.436
  359   3HG2  ILE  73          HG23      ILE  73  -6.604   1.342   1.132
  360   1HD1  ILE  73          HD11      ILE  73  -5.707  -0.287   0.280
  361   2HD1  ILE  73          HD12      ILE  73  -4.213  -0.105   1.203
  362   3HD1  ILE  73          HD13      ILE  73  -4.676  -1.687   0.579
  363    H    ALA  74           HN       ALA  74  -4.619   2.849   1.913
  364    HA   ALA  74           HA       ALA  74  -5.497   5.128   3.473
  365   1HB   ALA  74          HB1       ALA  74  -4.267   6.437   1.893
  366   2HB   ALA  74          HB2       ALA  74  -3.286   5.038   2.330
  367   3HB   ALA  74          HB3       ALA  74  -4.134   5.068   0.785
  368    H    ARG  75           HN       ARG  75  -6.878   6.719   2.710
  369    HA   ARG  75           HA       ARG  75  -9.236   5.849   1.414
  370   1HB   ARG  75          HB2       ARG  75  -8.953   7.682   3.159
  371   2HB   ARG  75          HB3       ARG  75  -8.368   8.715   1.868
  372   1HG   ARG  75          HG2       ARG  75 -11.057   7.398   1.724
  373   2HG   ARG  75          HG3       ARG  75 -10.814   8.922   2.570
  374   1HD   ARG  75          HD2       ARG  75 -10.129   8.419  -0.311
  375   2HD   ARG  75          HD3       ARG  75 -11.610   9.185   0.254
  376    HE   ARG  75           HE       ARG  75 -10.086  10.929   1.236
  377   1HH1  ARG  75          HH1       ARG  75  -9.141   9.001  -1.525
  378   2HH1  ARG  75          HH1       ARG  75  -8.145  10.244  -2.234
  379   1HH2  ARG  75          HH2       ARG  75  -8.828  12.602   0.287
  380   2HH2  ARG  75          HH2       ARG  75  -7.945  12.294  -1.181
  381    H    GLU  76           HN       GLU  76  -6.284   7.244   0.141
  382    HA   GLU  76           HA       GLU  76  -7.442   8.173  -2.305
  383   1HB   GLU  76          HB2       GLU  76  -5.184   8.869  -1.296
  384   2HB   GLU  76          HB3       GLU  76  -4.556   7.373  -1.980
  385   1HG   GLU  76          HG2       GLU  76  -4.076   9.026  -3.575
  386   2HG   GLU  76          HG3       GLU  76  -5.484   8.168  -4.202
  387    H    TYR  77           HN       TYR  77  -6.793   5.124  -1.093
  388    HA   TYR  77           HA       TYR  77  -6.108   3.855  -3.616
  389   1HB   TYR  77          HB2       TYR  77  -6.736   2.673  -0.901
  390   2HB   TYR  77          HB3       TYR  77  -6.202   1.755  -2.303
  391    HD1  TYR  77           HD1      TYR  77  -4.326   4.303  -3.018
  392    HD2  TYR  77           HD2      TYR  77  -4.748   1.659   0.286
  393    HE1  TYR  77           HE1      TYR  77  -1.986   4.715  -2.397
  394    HE2  TYR  77           HE2      TYR  77  -2.405   2.064   0.911
  395    HH   TYR  77           HH       TYR  77  -0.313   2.815  -0.151
  396    H    PHE  78           HN       PHE  78  -8.788   3.588  -1.291
  397    HA   PHE  78           HA       PHE  78 -10.544   2.866  -3.509
  398   1HB   PHE  78          HB2       PHE  78 -12.254   2.433  -1.785
  399   2HB   PHE  78          HB3       PHE  78 -10.800   1.492  -1.505
  400    HD1  PHE  78           HD1      PHE  78  -9.086   2.582   0.190
  401    HD2  PHE  78           HD2      PHE  78 -13.228   3.530  -0.031
  402    HE1  PHE  78           HE1      PHE  78  -9.022   3.383   2.513
  403    HE2  PHE  78           HE2      PHE  78 -13.167   4.340   2.290
  404    HZ   PHE  78           HZ       PHE  78 -11.062   4.263   3.563
  405    HA   PRO  79           HA       PRO  79 -10.700   7.126  -4.338
  406   1HB   PRO  79          HB2       PRO  79 -13.339   7.027  -5.374
  407   2HB   PRO  79          HB3       PRO  79 -11.826   6.948  -6.275
  408   1HG   PRO  79          HG2       PRO  79 -13.585   4.754  -5.328
  409   2HG   PRO  79          HG3       PRO  79 -12.596   4.842  -6.800
  410   1HD   PRO  79          HD2       PRO  79 -11.819   3.331  -4.756
  411   2HD   PRO  79          HD3       PRO  79 -10.626   4.312  -5.639
  412    H    ALA  80           HN       ALA  80 -11.181   8.813  -3.208
  413    HA   ALA  80           HA       ALA  80 -12.517   8.946  -0.850
  414   1HB   ALA  80          HB1       ALA  80 -12.612  11.368  -1.173
  415   2HB   ALA  80          HB2       ALA  80 -11.061  10.675  -1.652
  416   3HB   ALA  80          HB3       ALA  80 -12.236  11.138  -2.884
  417    H    ASN  81           HN       ASN  81 -14.083   8.766  -3.926
  418    HA   ASN  81           HA       ASN  81 -16.583   9.883  -2.991
  419   1HB   ASN  81          HB2       ASN  81 -15.815   8.471  -5.549
  420   2HB   ASN  81          HB3       ASN  81 -17.447   9.046  -5.214
  421   1HD2  ASN  81          HD21      ASN  81 -17.842  11.255  -5.122
  422   2HD2  ASN  81          HD22      ASN  81 -16.737  12.407  -5.795
  423    H    TYR  82           HN       TYR  82 -14.993   6.988  -2.627
  424    HA   TYR  82           HA       TYR  82 -17.347   5.315  -2.391
  425   1HB   TYR  82          HB2       TYR  82 -15.131   4.418  -3.135
  426   2HB   TYR  82          HB3       TYR  82 -14.484   4.765  -1.533
  427    HD1  TYR  82           HD1      TYR  82 -17.053   2.749  -3.329
  428    HD2  TYR  82           HD2      TYR  82 -14.734   3.209   0.207
  429    HE1  TYR  82           HE1      TYR  82 -17.804   0.539  -2.555
  430    HE2  TYR  82           HE2      TYR  82 -15.477   1.001   0.988
  431    HH   TYR  82           HH       TYR  82 -17.283  -0.567   0.647
  432    H    SER  83           HN       SER  83 -18.210   4.586  -0.427
  433    HA   SER  83           HA       SER  83 -18.047   6.543   1.659
  434   1HB   SER  83          HB2       SER  83 -19.764   4.801   2.678
  435   2HB   SER  83          HB3       SER  83 -20.226   5.877   1.358
  436    HG   SER  83           HG       SER  83 -20.610   4.160   0.231
  437    H    ALA  84           HN       ALA  84 -16.191   6.428   2.822
  438    HA   ALA  84           HA       ALA  84 -15.148   3.920   3.794
  439   1HB   ALA  84          HB1       ALA  84 -14.344   6.746   4.487
  440   2HB   ALA  84          HB2       ALA  84 -13.453   5.281   4.904
  441   3HB   ALA  84          HB3       ALA  84 -13.632   5.756   3.214
  442    H    HIS  85           HN       HIS  85 -15.854   2.910   5.534
  443    HA   HIS  85           HA       HIS  85 -16.891   4.461   7.779
  444   1HB   HIS  85          HB2       HIS  85 -18.775   2.772   8.030
  445   2HB   HIS  85          HB3       HIS  85 -18.938   3.919   6.708
  446    HD1  HIS  85           HD1      HIS  85 -18.936   2.985   4.322
  447    HD2  HIS  85           HD2      HIS  85 -18.372   0.076   7.239
  448    HE1  HIS  85           HE1      HIS  85 -19.206   0.778   3.141
  449    HE2  HIS  85           HE2      HIS  85 -18.774  -0.972   4.907
  450    H    GLY  86           HN       GLY  86 -15.434   3.974   9.281
  451   1HA   GLY  86          HA1       GLY  86 -14.477   2.674  10.937
  452   2HA   GLY  86          HA2       GLY  86 -15.319   1.277  10.280
  453    H    ARG  87           HN       ARG  87 -14.398   0.200   8.435
  454    HA   ARG  87           HA       ARG  87 -11.577   0.791   7.950
  455   1HB   ARG  87          HB2       ARG  87 -10.945  -1.560   8.267
  456   2HB   ARG  87          HB3       ARG  87 -11.569  -0.855   9.747
  457   1HG   ARG  87          HG2       ARG  87 -12.758  -2.743   9.874
  458   2HG   ARG  87          HG3       ARG  87 -13.822  -1.951   8.713
  459   1HD   ARG  87          HD2       ARG  87 -13.293  -4.207   7.981
  460   2HD   ARG  87          HD3       ARG  87 -12.601  -3.022   6.873
  461    HE   ARG  87           HE       ARG  87 -10.512  -3.434   8.395
  462   1HH1  ARG  87          HH1       ARG  87 -12.802  -5.811   7.219
  463   2HH1  ARG  87          HH1       ARG  87 -11.642  -7.107   7.226
  464   1HH2  ARG  87          HH2       ARG  87  -8.991  -5.147   8.408
  465   2HH2  ARG  87          HH2       ARG  87  -9.480  -6.738   7.903
  466    HA   PRO  88           HA       PRO  88 -12.816   0.125   3.729
  467   1HB   PRO  88          HB2       PRO  88 -10.239  -0.446   2.842
  468   2HB   PRO  88          HB3       PRO  88 -10.952   1.167   2.954
  469   1HG   PRO  88          HG2       PRO  88  -9.109  -0.240   4.831
  470   2HG   PRO  88          HG3       PRO  88  -9.160   1.475   4.378
  471   1HD   PRO  88          HD2       PRO  88 -10.110   0.621   6.728
  472   2HD   PRO  88          HD3       PRO  88 -10.897   1.937   5.822
  473    H    ASN  89           HN       ASN  89 -13.112  -1.569   2.311
  474    HA   ASN  89           HA       ASN  89 -12.193  -4.233   3.159
  475   1HB   ASN  89          HB2       ASN  89 -14.620  -4.063   2.922
  476   2HB   ASN  89          HB3       ASN  89 -14.441  -3.408   1.300
  477   1HD2  ASN  89          HD21      ASN  89 -13.927  -4.777  -0.394
  478   2HD2  ASN  89          HD22      ASN  89 -14.006  -6.502  -0.261
  479    H    ILE  90           HN       ILE  90 -10.449  -4.964   2.070
  480    HA   ILE  90           HA       ILE  90  -9.239  -3.234   0.215
  481    HB   ILE  90           HB       ILE  90  -7.973  -4.628   1.809
  482   1HG1  ILE  90          HG12      ILE  90  -6.982  -5.358  -0.905
  483   2HG1  ILE  90          HG13      ILE  90  -7.134  -3.658  -0.492
  484   1HG2  ILE  90          HG21      ILE  90  -8.598  -6.900  -0.076
  485   2HG2  ILE  90          HG22      ILE  90  -7.472  -6.958   1.279
  486   3HG2  ILE  90          HG23      ILE  90  -9.196  -6.729   1.573
  487   1HD1  ILE  90          HD11      ILE  90  -5.545  -5.687   1.048
  488   2HD1  ILE  90          HD12      ILE  90  -4.885  -4.529  -0.108
  489   3HD1  ILE  90          HD13      ILE  90  -5.641  -3.957   1.380
  490    H    LYS  91           HN       LYS  91 -10.894  -6.330  -0.263
  491    HA   LYS  91           HA       LYS  91 -10.365  -6.506  -3.032
  492   1HB   LYS  91          HB2       LYS  91 -12.626  -7.592  -1.370
  493   2HB   LYS  91          HB3       LYS  91 -12.366  -8.008  -3.061
  494   1HG   LYS  91          HG2       LYS  91 -10.394  -8.450  -0.838
  495   2HG   LYS  91          HG3       LYS  91 -11.454  -9.680  -1.519
  496   1HD   LYS  91          HD2       LYS  91  -9.385  -8.129  -3.074
  497   2HD   LYS  91          HD3       LYS  91  -9.146  -9.750  -2.426
  498   1HE   LYS  91          HE2       LYS  91 -10.918 -10.610  -3.828
  499   2HE   LYS  91          HE3       LYS  91 -11.282  -8.989  -4.417
  500   1HZ   LYS  91          HZ1       LYS  91  -9.267  -8.890  -5.584
  501   2HZ   LYS  91          HZ2       LYS  91  -9.861 -10.450  -5.892
  502   3HZ   LYS  91          HZ3       LYS  91  -8.614 -10.223  -4.767
  503    H    ASP  92           HN       ASP  92 -12.170  -4.201  -1.418
  504    HA   ASP  92           HA       ASP  92 -13.408  -3.406  -3.971
  505   1HB   ASP  92          HB2       ASP  92 -14.571  -3.316  -1.209
  506   2HB   ASP  92          HB3       ASP  92 -15.034  -2.084  -2.377
  507    H    VAL  93           HN       VAL  93 -10.820  -2.902  -2.654
  508    HA   VAL  93           HA       VAL  93 -10.947   0.047  -2.527
  509    HB   VAL  93           HB       VAL  93  -9.164  -1.842  -0.975
  510   1HG1  VAL  93          HG11      VAL  93  -7.777  -0.053  -1.844
  511   2HG1  VAL  93          HG12      VAL  93  -8.928   1.149  -1.265
  512   3HG1  VAL  93          HG13      VAL  93  -8.026   0.167  -0.112
  513   1HG2  VAL  93          HG21      VAL  93 -11.334  -1.406   0.039
  514   2HG2  VAL  93          HG22      VAL  93 -10.040  -0.660   0.977
  515   3HG2  VAL  93          HG23      VAL  93 -11.053   0.330  -0.071
  516    H    LEU  94           HN       LEU  94  -8.819  -2.709  -3.124
  517    HA   LEU  94           HA       LEU  94  -7.317  -1.043  -5.019
  518   1HB   LEU  94          HB2       LEU  94  -6.456  -3.493  -3.482
  519   2HB   LEU  94          HB3       LEU  94  -5.467  -2.645  -4.653
  520    HG   LEU  94           HG       LEU  94  -6.483  -1.437  -2.082
  521   1HD1  LEU  94          HD11      LEU  94  -4.115  -1.631  -1.368
  522   2HD1  LEU  94          HD12      LEU  94  -4.919  -3.187  -1.573
  523   3HD1  LEU  94          HD13      LEU  94  -3.802  -2.606  -2.804
  524   1HD2  LEU  94          HD21      LEU  94  -6.095   0.225  -3.792
  525   2HD2  LEU  94          HD22      LEU  94  -4.815   0.307  -2.582
  526   3HD2  LEU  94          HD23      LEU  94  -4.509  -0.460  -4.141
  527    H    ARG  95           HN       ARG  95  -6.534  -2.048  -6.905
  528    HA   ARG  95           HA       ARG  95  -7.469  -4.693  -7.601
  529   1HB   ARG  95          HB2       ARG  95  -8.349  -3.908  -9.821
  530   2HB   ARG  95          HB3       ARG  95  -9.339  -3.470  -8.439
  531   1HG   ARG  95          HG2       ARG  95  -7.330  -1.510  -9.429
  532   2HG   ARG  95          HG3       ARG  95  -8.814  -1.752 -10.352
  533   1HD   ARG  95          HD2       ARG  95  -8.681  -1.044  -7.418
  534   2HD   ARG  95          HD3       ARG  95  -8.997   0.097  -8.725
  535    HE   ARG  95           HE       ARG  95 -10.886  -1.857  -9.046
  536   1HH1  ARG  95          HH1       ARG  95  -9.981   0.327  -6.463
  537   2HH1  ARG  95          HH1       ARG  95 -11.581   0.390  -5.785
  538   1HH2  ARG  95          HH2       ARG  95 -12.988  -1.790  -8.134
  539   2HH2  ARG  95          HH2       ARG  95 -13.269  -0.839  -6.710
  540    H    GLU  96           HN       GLU  96  -6.221  -5.669  -9.195
  541    HA   GLU  96           HA       GLU  96  -3.541  -4.954  -9.288
  542   1HB   GLU  96          HB2       GLU  96  -5.077  -6.682 -11.235
  543   2HB   GLU  96          HB3       GLU  96  -3.323  -6.606 -11.117
  544   1HG   GLU  96          HG2       GLU  96  -3.406  -7.486  -8.862
  545   2HG   GLU  96          HG3       GLU  96  -5.169  -7.507  -8.916
  546    H    GLY  97           HN       GLY  97  -2.506  -3.414 -10.296
  547   1HA   GLY  97          HA1       GLY  97  -1.933  -2.309 -12.381
  548   2HA   GLY  97          HA2       GLY  97  -3.642  -2.321 -12.791
  549    H    GLN  98           HN       GLN  98  -4.062  -1.625  -9.801
  550    HA   GLN  98           HA       GLN  98  -4.073   1.239 -10.194
  551   1HB   GLN  98          HB2       GLN  98  -5.905  -0.114  -9.027
  552   2HB   GLN  98          HB3       GLN  98  -4.795  -0.243  -7.670
  553   1HG   GLN  98          HG2       GLN  98  -4.798   2.103  -7.325
  554   2HG   GLN  98          HG3       GLN  98  -5.671   2.384  -8.830
  555   1HE2  GLN  98          HE21      GLN  98  -5.908   1.188  -5.574
  556   2HE2  GLN  98          HE22      GLN  98  -7.628   1.305  -5.443
  557    H    GLU  99           HN       GLU  99  -2.820   2.720  -9.140
  558    HA   GLU  99           HA       GLU  99  -0.291   1.691  -8.163
  559   1HB   GLU  99          HB2       GLU  99   0.484   3.998  -8.305
  560   2HB   GLU  99          HB3       GLU  99  -0.269   3.489  -9.818
  561   1HG   GLU  99          HG2       GLU  99  -2.359   4.616  -9.069
  562   2HG   GLU  99          HG3       GLU  99  -1.467   5.246  -7.677
  563    H    VAL 100           HN       VAL 100   0.710   2.381  -6.272
  564    HA   VAL 100           HA       VAL 100  -0.864   3.921  -4.345
  565    HB   VAL 100           HB       VAL 100  -0.199   2.478  -2.494
  566   1HG1  VAL 100          HG11      VAL 100  -1.628   0.980  -4.684
  567   2HG1  VAL 100          HG12      VAL 100  -1.608   0.512  -2.984
  568   3HG1  VAL 100          HG13      VAL 100  -2.353   2.035  -3.471
  569   1HG2  VAL 100          HG21      VAL 100   0.929   0.611  -4.572
  570   2HG2  VAL 100          HG22      VAL 100   1.881   1.618  -3.476
  571   3HG2  VAL 100          HG23      VAL 100   0.859   0.330  -2.832
  572    H    ILE 101           HN       ILE 101   0.404   5.246  -3.049
  573    HA   ILE 101           HA       ILE 101   3.277   5.263  -3.625
  574    HB   ILE 101           HB       ILE 101   1.840   7.269  -1.900
  575   1HG1  ILE 101          HG12      ILE 101   0.594   7.145  -4.007
  576   2HG1  ILE 101          HG13      ILE 101   1.475   8.660  -3.890
  577   1HG2  ILE 101          HG21      ILE 101   3.646   8.749  -2.694
  578   2HG2  ILE 101          HG22      ILE 101   4.260   7.322  -1.856
  579   3HG2  ILE 101          HG23      ILE 101   4.315   7.401  -3.617
  580   1HD1  ILE 101          HD11      ILE 101   1.599   7.745  -6.127
  581   2HD1  ILE 101          HD12      ILE 101   3.195   7.768  -5.375
  582   3HD1  ILE 101          HD13      ILE 101   2.297   6.255  -5.489
  583    H    VAL 102           HN       VAL 102   4.442   4.015  -2.299
  584    HA   VAL 102           HA       VAL 102   3.783   3.913   0.550
  585    HB   VAL 102           HB       VAL 102   4.066   1.363   0.419
  586   1HG1  VAL 102          HG11      VAL 102   1.600   2.655  -0.738
  587   2HG1  VAL 102          HG12      VAL 102   1.684   1.024  -0.071
  588   3HG1  VAL 102          HG13      VAL 102   1.952   2.420   0.975
  589   1HG2  VAL 102          HG21      VAL 102   3.411   1.968  -2.464
  590   2HG2  VAL 102          HG22      VAL 102   4.869   1.188  -1.850
  591   3HG2  VAL 102          HG23      VAL 102   3.313   0.371  -1.723
  592    H    GLN 103           HN       GLN 103   5.546   3.868   1.782
  593    HA   GLN 103           HA       GLN 103   8.093   3.184   0.500
  594   1HB   GLN 103          HB2       GLN 103   9.116   4.409   2.481
  595   2HB   GLN 103          HB3       GLN 103   8.256   5.401   1.313
  596   1HG   GLN 103          HG2       GLN 103   6.309   5.437   2.800
  597   2HG   GLN 103          HG3       GLN 103   7.207   4.472   3.971
  598   1HE2  GLN 103          HE21      GLN 103   8.763   5.425   5.220
  599   2HE2  GLN 103          HE22      GLN 103   9.001   7.137   5.283
  600    H    ILE 104           HN       ILE 104   9.240   1.519   1.184
  601    HA   ILE 104           HA       ILE 104   8.109  -0.398   2.943
  602    HB   ILE 104           HB       ILE 104  10.830  -0.158   1.677
  603   1HG1  ILE 104          HG12      ILE 104   9.041  -0.684   0.141
  604   2HG1  ILE 104          HG13      ILE 104  10.012  -2.130   0.395
  605   1HG2  ILE 104          HG21      ILE 104  11.298  -2.442   2.430
  606   2HG2  ILE 104          HG22      ILE 104  11.153  -1.312   3.778
  607   3HG2  ILE 104          HG23      ILE 104   9.825  -2.414   3.402
  608   1HD1  ILE 104          HD11      ILE 104   7.613  -2.614   0.354
  609   2HD1  ILE 104          HD12      ILE 104   8.341  -3.020   1.907
  610   3HD1  ILE 104          HD13      ILE 104   7.381  -1.551   1.742
  611    H    ASP 105           HN       ASP 105   7.825   0.166   4.977
  612    HA   ASP 105           HA       ASP 105   9.787   1.663   6.482
  613   1HB   ASP 105          HB2       ASP 105   7.350   1.969   6.843
  614   2HB   ASP 105          HB3       ASP 105   7.238   0.299   7.391
  615    H    LYS 106           HN       LYS 106   8.586  -1.624   6.248
  616    HA   LYS 106           HA       LYS 106  10.815  -2.486   7.946
  617   1HB   LYS 106          HB2       LYS 106   8.030  -3.599   7.719
  618   2HB   LYS 106          HB3       LYS 106   9.361  -4.569   8.341
  619   1HG   LYS 106          HG2       LYS 106   9.744  -2.953  10.112
  620   2HG   LYS 106          HG3       LYS 106   8.460  -1.927   9.472
  621   1HD   LYS 106          HD2       LYS 106   6.796  -3.555  10.003
  622   2HD   LYS 106          HD3       LYS 106   8.025  -4.759  10.404
  623   1HE   LYS 106          HE2       LYS 106   7.003  -3.748  12.408
  624   2HE   LYS 106          HE3       LYS 106   8.738  -3.458  12.308
  625   1HZ   LYS 106          HZ1       LYS 106   8.333  -1.234  11.552
  626   2HZ   LYS 106          HZ2       LYS 106   7.455  -1.481  12.978
  627   3HZ   LYS 106          HZ3       LYS 106   6.660  -1.499  11.481
  628    H    GLU 107           HN       GLU 107  12.131  -4.015   7.208
  629    HA   GLU 107           HA       GLU 107  11.982  -4.414   4.328
  630   1HB   GLU 107          HB2       GLU 107  14.291  -4.358   6.272
  631   2HB   GLU 107          HB3       GLU 107  14.430  -4.593   4.543
  632   1HG   GLU 107          HG2       GLU 107  13.727  -2.411   4.062
  633   2HG   GLU 107          HG3       GLU 107  13.109  -2.175   5.697
  634    H    GLU 108           HN       GLU 108  12.915  -6.370   3.468
  635    HA   GLU 108           HA       GLU 108  11.652  -8.636   4.399
  636   1HB   GLU 108          HB2       GLU 108  13.007  -7.998   2.146
  637   2HB   GLU 108          HB3       GLU 108  14.149  -9.111   2.894
  638   1HG   GLU 108          HG2       GLU 108  11.262  -9.683   2.256
  639   2HG   GLU 108          HG3       GLU 108  12.662 -10.269   1.360
  640    H    ARG 109           HN       ARG 109  11.942  -9.815   6.080
  641    HA   ARG 109           HA       ARG 109  14.604 -10.442   7.081
  642   1HB   ARG 109          HB2       ARG 109  13.851  -9.921   9.416
  643   2HB   ARG 109          HB3       ARG 109  14.034  -8.504   8.394
  644   1HG   ARG 109          HG2       ARG 109  11.587  -8.568   7.995
  645   2HG   ARG 109          HG3       ARG 109  11.472  -9.867   9.179
  646   1HD   ARG 109          HD2       ARG 109  12.590  -7.123   9.737
  647   2HD   ARG 109          HD3       ARG 109  10.941  -7.630  10.103
  648    HE   ARG 109           HE       ARG 109  11.957  -9.316  11.612
  649   1HH1  ARG 109          HH1       ARG 109  13.863  -6.535  10.672
  650   2HH1  ARG 109          HH1       ARG 109  14.766  -6.484  12.153
  651   1HH2  ARG 109          HH2       ARG 109  13.142  -9.273  13.562
  652   2HH2  ARG 109          HH2       ARG 109  14.358  -8.051  13.803
  653    H    GLY 110           HN       GLY 110  12.163 -11.705   5.762
  654   1HA   GLY 110          HA1       GLY 110  11.536 -13.947   5.785
  655   2HA   GLY 110          HA2       GLY 110  12.214 -14.103   7.397
  656    H    ASN 111           HN       ASN 111  10.799 -12.011   8.673
  657    HA   ASN 111           HA       ASN 111   8.529 -13.541   9.396
  658   1HB   ASN 111          HB2       ASN 111   9.051 -10.661  10.144
  659   2HB   ASN 111          HB3       ASN 111   8.092 -11.838  11.031
  660   1HD2  ASN 111          HD21      ASN 111   9.143 -13.454  12.222
  661   2HD2  ASN 111          HD22      ASN 111  10.818 -13.319  12.641
  662    H    LYS 112           HN       LYS 112   8.720 -10.294   7.869
  663    HA   LYS 112           HA       LYS 112   6.141 -10.917   6.624
  664   1HB   LYS 112          HB2       LYS 112   7.027  -8.387   7.926
  665   2HB   LYS 112          HB3       LYS 112   5.944  -8.291   6.545
  666   1HG   LYS 112          HG2       LYS 112   4.334  -9.714   7.705
  667   2HG   LYS 112          HG3       LYS 112   5.419  -9.808   9.093
  668   1HD   LYS 112          HD2       LYS 112   5.233  -7.433   9.458
  669   2HD   LYS 112          HD3       LYS 112   4.275  -7.249   7.988
  670   1HE   LYS 112          HE2       LYS 112   2.876  -7.221   9.999
  671   2HE   LYS 112          HE3       LYS 112   2.494  -8.584   8.950
  672   1HZ   LYS 112          HZ1       LYS 112   2.596  -9.165  11.325
  673   2HZ   LYS 112          HZ2       LYS 112   4.241  -8.759  11.344
  674   3HZ   LYS 112          HZ3       LYS 112   3.701 -10.048  10.390
  675    H    GLY 113           HN       GLY 113   9.201  -9.263   6.359
  676   1HA   GLY 113          HA1       GLY 113  10.530  -9.230   4.417
  677   2HA   GLY 113          HA2       GLY 113   9.103  -9.641   3.472
  678    H    ALA 114           HN       ALA 114   8.612  -8.104   2.156
  679    HA   ALA 114           HA       ALA 114   9.461  -5.374   2.599
  680   1HB   ALA 114          HB1       ALA 114   7.952  -6.597   0.313
  681   2HB   ALA 114          HB2       ALA 114   8.670  -4.985   0.349
  682   3HB   ALA 114          HB3       ALA 114   9.704  -6.413   0.424
  683    H    ALA 115           HN       ALA 115   8.198  -4.520   4.248
  684    HA   ALA 115           HA       ALA 115   5.290  -4.743   4.049
  685   1HB   ALA 115          HB1       ALA 115   7.024  -3.583   6.223
  686   2HB   ALA 115          HB2       ALA 115   5.267  -3.737   6.287
  687   3HB   ALA 115          HB3       ALA 115   6.277  -5.183   6.220
  688    H    LEU 116           HN       LEU 116   4.068  -3.187   3.219
  689    HA   LEU 116           HA       LEU 116   5.268  -0.605   2.583
  690   1HB   LEU 116          HB2       LEU 116   2.462  -1.527   1.975
  691   2HB   LEU 116          HB3       LEU 116   3.333  -0.195   1.234
  692    HG   LEU 116           HG       LEU 116   4.123  -3.091   0.901
  693   1HD1  LEU 116          HD11      LEU 116   2.502  -1.320  -0.921
  694   2HD1  LEU 116          HD12      LEU 116   3.076  -2.945  -1.295
  695   3HD1  LEU 116          HD13      LEU 116   1.892  -2.701  -0.010
  696   1HD2  LEU 116          HD21      LEU 116   4.864  -0.624  -0.667
  697   2HD2  LEU 116          HD22      LEU 116   5.887  -1.397   0.542
  698   3HD2  LEU 116          HD23      LEU 116   5.457  -2.264  -0.931
  699    H    THR 117           HN       THR 117   4.773   1.250   3.609
  700    HA   THR 117           HA       THR 117   2.882   1.129   5.843
  701    HB   THR 117           HB       THR 117   5.235   2.076   6.124
  702    HG1  THR 117           HG1      THR 117   4.468   3.412   7.654
  703   1HG2  THR 117          HG21      THR 117   4.020   4.325   4.515
  704   2HG2  THR 117          HG22      THR 117   5.408   3.334   4.064
  705   3HG2  THR 117          HG23      THR 117   5.520   4.438   5.435
  706    H    THR 118           HN       THR 118   1.452   3.087   6.126
  707    HA   THR 118           HA       THR 118   0.800   4.331   3.542
  708    HB   THR 118           HB       THR 118  -1.569   4.540   4.481
  709    HG1  THR 118           HG1      THR 118  -2.097   2.886   5.991
  710   1HG2  THR 118          HG21      THR 118  -0.996   3.094   2.610
  711   2HG2  THR 118          HG22      THR 118  -2.162   2.295   3.663
  712   3HG2  THR 118          HG23      THR 118  -0.460   1.836   3.724
  713    H    PHE 119           HN       PHE 119   2.435   5.078   6.005
  714    HA   PHE 119           HA       PHE 119   1.136   7.505   6.882
  715   1HB   PHE 119          HB2       PHE 119   3.892   6.368   7.347
  716   2HB   PHE 119          HB3       PHE 119   3.425   7.970   7.916
  717    HD1  PHE 119           HD1      PHE 119   1.592   8.202   9.568
  718    HD2  PHE 119           HD2      PHE 119   3.187   4.412   8.478
  719    HE1  PHE 119           HE1      PHE 119   0.583   7.206  11.577
  720    HE2  PHE 119           HE2      PHE 119   2.182   3.407  10.487
  721    HZ   PHE 119           HZ       PHE 119   0.876   4.804  12.038
  722    H    ILE 120           HN       ILE 120   0.948   7.693   4.365
  723    HA   ILE 120           HA       ILE 120   3.006   9.593   3.460
  724    HB   ILE 120           HB       ILE 120   1.537   7.648   1.646
  725   1HG1  ILE 120          HG12      ILE 120   4.281   7.015   1.679
  726   2HG1  ILE 120          HG13      ILE 120   3.811   7.187   3.367
  727   1HG2  ILE 120          HG21      ILE 120   3.855   9.516   1.176
  728   2HG2  ILE 120          HG22      ILE 120   3.381   8.237   0.057
  729   3HG2  ILE 120          HG23      ILE 120   2.265   9.552   0.412
  730   1HD1  ILE 120          HD11      ILE 120   2.483   5.394   1.350
  731   2HD1  ILE 120          HD12      ILE 120   3.614   4.887   2.606
  732   3HD1  ILE 120          HD13      ILE 120   2.043   5.551   3.051
  733    H    SER 121           HN       SER 121   1.907  10.836   1.447
  734    HA   SER 121           HA       SER 121  -0.136  12.397   2.579
  735   1HB   SER 121          HB2       SER 121   0.550  12.381  -0.343
  736   2HB   SER 121          HB3       SER 121   0.109  13.749   0.683
  737    HG   SER 121           HG       SER 121   2.138  13.386   1.802
  738    H    LEU 122           HN       LEU 122  -0.857   9.476   1.906
  739    HA   LEU 122           HA       LEU 122  -3.202  10.026   0.227
  740   1HB   LEU 122          HB2       LEU 122  -1.574   7.515   0.539
  741   2HB   LEU 122          HB3       LEU 122  -3.154   7.537  -0.212
  742    HG   LEU 122           HG       LEU 122  -2.119   9.289  -1.810
  743   1HD1  LEU 122          HD11      LEU 122  -0.064   9.666  -0.567
  744   2HD1  LEU 122          HD12      LEU 122   0.373   7.968  -0.748
  745   3HD1  LEU 122          HD13      LEU 122   0.284   9.011  -2.168
  746   1HD2  LEU 122          HD21      LEU 122  -2.836   7.054  -2.448
  747   2HD2  LEU 122          HD22      LEU 122  -1.341   7.498  -3.274
  748   3HD2  LEU 122          HD23      LEU 122  -1.296   6.390  -1.901
  749    H    ALA 123           HN       ALA 123  -4.757  10.407   1.683
  750    HA   ALA 123           HA       ALA 123  -6.392   8.465   2.504
  751   1HB   ALA 123          HB1       ALA 123  -6.161   8.114   4.897
  752   2HB   ALA 123          HB2       ALA 123  -4.701   7.579   4.061
  753   3HB   ALA 123          HB3       ALA 123  -4.707   9.117   4.928
  754    H    GLY 124           HN       GLY 124  -7.103  10.627   1.523
  755   1HA   GLY 124          HA1       GLY 124  -7.317  12.889   3.272
  756   2HA   GLY 124          HA2       GLY 124  -8.080  12.706   1.699
  757    H    SER 125           HN       SER 125  -9.370  13.922   3.813
  758    HA   SER 125           HA       SER 125 -11.594  12.042   4.162
  759   1HB   SER 125          HB2       SER 125 -10.585  13.976   6.271
  760   2HB   SER 125          HB3       SER 125 -12.009  12.946   6.419
  761    HG   SER 125           HG       SER 125  -9.927  11.431   5.714
  Start of MODEL    4
    1   1H    GLY  30           H1       GLY  30   6.592  21.081  -1.025
    2   2H    GLY  30           H2       GLY  30   8.129  21.482  -0.440
    3   3H    GLY  30           H3       GLY  30   6.828  21.345   0.629
    4   1HA   GLY  30          HA2       GLY  30   8.297  19.409   0.734
    5   2HA   GLY  30          HA1       GLY  30   6.656  19.002   0.252
    6    H    SER  31           HN       SER  31   9.958  19.408  -0.828
    7    HA   SER  31           HA       SER  31   9.435  18.747  -3.554
    8   1HB   SER  31          HB2       SER  31  12.034  18.635  -2.009
    9   2HB   SER  31          HB3       SER  31  11.868  18.630  -3.766
   10    HG   SER  31           HG       SER  31  11.037  20.720  -3.671
   11    H    HIS  32           HN       HIS  32   9.513  16.826  -4.573
   12    HA   HIS  32           HA       HIS  32   9.385  14.453  -2.903
   13   1HB   HIS  32          HB2       HIS  32   8.903  14.884  -5.858
   14   2HB   HIS  32          HB3       HIS  32   8.746  13.325  -5.056
   15    HD1  HIS  32           HD1      HIS  32   6.947  16.470  -5.720
   16    HD2  HIS  32           HD2      HIS  32   6.556  13.192  -3.187
   17    HE1  HIS  32           HE1      HIS  32   4.603  16.579  -4.822
   18    HE2  HIS  32           HE2      HIS  32   4.335  14.499  -3.429
   19    H    MET  33           HN       MET  33  10.570  12.541  -3.387
   20    HA   MET  33           HA       MET  33  12.373  11.287  -3.876
   21   1HB   MET  33          HB2       MET  33  12.949  13.459  -5.887
   22   2HB   MET  33          HB3       MET  33  13.974  12.044  -5.680
   23   1HG   MET  33          HG2       MET  33  11.997  10.616  -6.169
   24   2HG   MET  33          HG3       MET  33  11.085  12.081  -6.526
   25   1HE   MET  33          HE1       MET  33  11.381   9.643  -8.566
   26   2HE   MET  33          HE2       MET  33  10.463  11.110  -8.912
   27   3HE   MET  33          HE3       MET  33  11.656  10.521 -10.072
   28    H    LEU  34           HN       LEU  34  12.304  13.565  -1.930
   29    HA   LEU  34           HA       LEU  34  15.193  13.759  -1.453
   30   1HB   LEU  34          HB2       LEU  34  12.877  15.149  -0.101
   31   2HB   LEU  34          HB3       LEU  34  14.545  15.295   0.416
   32    HG   LEU  34           HG       LEU  34  13.391  16.241  -2.207
   33   1HD1  LEU  34          HD11      LEU  34  13.961  18.456  -1.352
   34   2HD1  LEU  34          HD12      LEU  34  12.817  17.632  -0.293
   35   3HD1  LEU  34          HD13      LEU  34  14.519  17.732   0.156
   36   1HD2  LEU  34          HD21      LEU  34  15.661  15.390  -2.512
   37   2HD2  LEU  34          HD22      LEU  34  15.613  17.147  -2.654
   38   3HD2  LEU  34          HD23      LEU  34  16.223  16.399  -1.180
   39    H    GLU  35           HN       GLU  35  12.177  12.946   0.116
   40    HA   GLU  35           HA       GLU  35  11.611  11.540   1.826
   41   1HB   GLU  35          HB2       GLU  35  13.605   9.655   0.605
   42   2HB   GLU  35          HB3       GLU  35  12.025   9.298   1.282
   43   1HG   GLU  35          HG2       GLU  35  12.701  10.491  -1.383
   44   2HG   GLU  35          HG3       GLU  35  11.753   9.055  -1.022
   45    H    GLN  36           HN       GLN  36  12.762  12.998   3.352
   46    HA   GLN  36           HA       GLN  36  15.560  12.519   3.767
   47   1HB   GLN  36          HB2       GLN  36  15.580  14.550   5.028
   48   2HB   GLN  36          HB3       GLN  36  14.595  14.773   3.592
   49   1HG   GLN  36          HG2       GLN  36  13.552  14.357   6.379
   50   2HG   GLN  36          HG3       GLN  36  13.660  15.894   5.531
   51   1HE2  GLN  36          HE21      GLN  36  12.233  16.330   3.839
   52   2HE2  GLN  36          HE22      GLN  36  10.784  15.416   3.616
   53    H    LYS  37           HN       LYS  37  12.802  12.565   6.076
   54    HA   LYS  37           HA       LYS  37  14.324  10.581   7.645
   55   1HB   LYS  37          HB2       LYS  37  12.305  12.643   8.545
   56   2HB   LYS  37          HB3       LYS  37  12.744  11.261   9.540
   57   1HG   LYS  37          HG2       LYS  37  15.108  12.010   9.451
   58   2HG   LYS  37          HG3       LYS  37  14.578  13.450   8.581
   59   1HD   LYS  37          HD2       LYS  37  13.588  12.650  11.316
   60   2HD   LYS  37          HD3       LYS  37  14.890  13.803  11.021
   61   1HE   LYS  37          HE2       LYS  37  12.093  14.100   9.938
   62   2HE   LYS  37          HE3       LYS  37  12.655  14.844  11.435
   63   1HZ   LYS  37          HZ1       LYS  37  12.732  16.240   9.318
   64   2HZ   LYS  37          HZ2       LYS  37  14.069  15.297   8.872
   65   3HZ   LYS  37          HZ3       LYS  37  14.122  16.225  10.286
   66    H    LYS  38           HN       LYS  38  13.240   9.689   5.545
   67    HA   LYS  38           HA       LYS  38  10.635   8.519   6.188
   68   1HB   LYS  38          HB2       LYS  38  10.227  10.355   4.728
   69   2HB   LYS  38          HB3       LYS  38  11.606   9.959   3.724
   70   1HG   LYS  38          HG2       LYS  38  10.434   7.900   3.002
   71   2HG   LYS  38          HG3       LYS  38   9.015   8.456   3.908
   72   1HD   LYS  38          HD2       LYS  38  10.350  10.236   1.902
   73   2HD   LYS  38          HD3       LYS  38   9.190   9.007   1.386
   74   1HE   LYS  38          HE2       LYS  38   7.479  10.001   2.793
   75   2HE   LYS  38          HE3       LYS  38   8.639  11.186   3.397
   76   1HZ   LYS  38          HZ1       LYS  38   7.070  11.875   1.511
   77   2HZ   LYS  38          HZ2       LYS  38   8.087  10.950   0.506
   78   3HZ   LYS  38          HZ3       LYS  38   8.713  12.267   1.363
   79    H    ALA  39           HN       ALA  39  10.349   6.420   5.391
   80    HA   ALA  39           HA       ALA  39  12.673   4.927   4.640
   81   1HB   ALA  39          HB1       ALA  39   9.744   4.186   4.548
   82   2HB   ALA  39          HB2       ALA  39  11.089   3.068   4.316
   83   3HB   ALA  39          HB3       ALA  39  10.861   3.861   5.875
   84    H    ASN  40           HN       ASN  40  13.013   3.932   2.574
   85    HA   ASN  40           HA       ASN  40  12.803   5.761   0.468
   86   1HB   ASN  40          HB2       ASN  40  14.520   3.978   0.656
   87   2HB   ASN  40          HB3       ASN  40  13.277   2.788   0.301
   88   1HD2  ASN  40          HD21      ASN  40  14.566   2.129  -1.480
   89   2HD2  ASN  40          HD22      ASN  40  14.537   3.027  -2.958
   90    H    ILE  41           HN       ILE  41  11.170   6.289  -0.755
   91    HA   ILE  41           HA       ILE  41   8.656   4.895  -0.465
   92    HB   ILE  41           HB       ILE  41   8.948   7.402  -0.314
   93   1HG1  ILE  41          HG12      ILE  41   6.879   7.879  -1.757
   94   2HG1  ILE  41          HG13      ILE  41   6.927   6.167  -2.174
   95   1HG2  ILE  41          HG21      ILE  41  10.452   7.719  -2.182
   96   2HG2  ILE  41          HG22      ILE  41   9.203   7.177  -3.306
   97   3HG2  ILE  41          HG23      ILE  41   8.986   8.677  -2.401
   98   1HD1  ILE  41          HD11      ILE  41   5.383   6.635  -0.340
   99   2HD1  ILE  41          HD12      ILE  41   6.696   5.568   0.159
  100   3HD1  ILE  41          HD13      ILE  41   6.722   7.275   0.614
  101    H    TYR  42           HN       TYR  42   7.422   3.998  -2.134
  102    HA   TYR  42           HA       TYR  42   8.577   3.970  -4.830
  103   1HB   TYR  42          HB2       TYR  42   7.802   1.561  -3.188
  104   2HB   TYR  42          HB3       TYR  42   7.828   1.512  -4.946
  105    HD1  TYR  42           HD1      TYR  42   9.814   1.458  -1.915
  106    HD2  TYR  42           HD2      TYR  42   9.966   1.800  -6.154
  107    HE1  TYR  42           HE1      TYR  42  12.210   0.910  -1.869
  108    HE2  TYR  42           HE2      TYR  42  12.362   1.254  -6.119
  109    HH   TYR  42           HH       TYR  42  14.231   1.255  -4.651
  110    H    LYS  43           HN       LYS  43   7.063   3.938  -6.462
  111    HA   LYS  43           HA       LYS  43   4.250   3.678  -5.643
  112   1HB   LYS  43          HB2       LYS  43   4.703   5.775  -6.833
  113   2HB   LYS  43          HB3       LYS  43   5.405   4.877  -8.176
  114   1HG   LYS  43          HG2       LYS  43   3.218   3.782  -8.535
  115   2HG   LYS  43          HG3       LYS  43   2.533   4.800  -7.271
  116   1HD   LYS  43          HD2       LYS  43   3.836   5.802  -9.793
  117   2HD   LYS  43          HD3       LYS  43   2.096   5.643  -9.547
  118   1HE   LYS  43          HE2       LYS  43   2.252   7.214  -7.649
  119   2HE   LYS  43          HE3       LYS  43   3.974   7.405  -7.975
  120   1HZ   LYS  43          HZ1       LYS  43   2.685   9.203  -8.931
  121   2HZ   LYS  43          HZ2       LYS  43   1.771   8.105  -9.840
  122   3HZ   LYS  43          HZ3       LYS  43   3.427   8.293 -10.151
  123    H    GLY  44           HN       GLY  44   3.396   1.776  -5.988
  124   1HA   GLY  44          HA1       GLY  44   4.236   0.258  -8.365
  125   2HA   GLY  44          HA2       GLY  44   4.241  -0.523  -6.784
  126    H    LYS  45           HN       LYS  45   2.716  -1.631  -8.715
  127    HA   LYS  45           HA       LYS  45  -0.011  -0.672  -8.210
  128   1HB   LYS  45          HB2       LYS  45   0.997  -2.700 -10.203
  129   2HB   LYS  45          HB3       LYS  45  -0.681  -2.189 -10.016
  130   1HG   LYS  45          HG2       LYS  45  -0.251  -0.061 -10.873
  131   2HG   LYS  45          HG3       LYS  45   1.491  -0.213 -10.652
  132   1HD   LYS  45          HD2       LYS  45   1.268  -2.192 -12.328
  133   2HD   LYS  45          HD3       LYS  45  -0.277  -1.443 -12.737
  134   1HE   LYS  45          HE2       LYS  45   0.890   0.655 -13.235
  135   2HE   LYS  45          HE3       LYS  45   2.425  -0.118 -12.849
  136   1HZ   LYS  45          HZ1       LYS  45   1.827  -1.776 -14.647
  137   2HZ   LYS  45          HZ2       LYS  45   2.255  -0.221 -15.163
  138   3HZ   LYS  45          HZ3       LYS  45   0.623  -0.681 -15.130
  139    H    ILE  46           HN       ILE  46  -1.646  -2.186  -7.722
  140    HA   ILE  46           HA       ILE  46  -0.970  -4.295  -5.949
  141    HB   ILE  46           HB       ILE  46  -3.485  -3.379  -7.301
  142   1HG1  ILE  46          HG12      ILE  46  -4.278  -3.222  -4.945
  143   2HG1  ILE  46          HG13      ILE  46  -2.694  -3.754  -4.401
  144   1HG2  ILE  46          HG21      ILE  46  -3.545  -5.791  -7.447
  145   2HG2  ILE  46          HG22      ILE  46  -3.191  -5.922  -5.724
  146   3HG2  ILE  46          HG23      ILE  46  -4.712  -5.211  -6.259
  147   1HD1  ILE  46          HD11      ILE  46  -2.958  -1.340  -4.196
  148   2HD1  ILE  46          HD12      ILE  46  -1.695  -1.738  -5.361
  149   3HD1  ILE  46          HD13      ILE  46  -3.283  -1.219  -5.923
  150    H    THR  47           HN       THR  47  -0.665  -6.434  -6.367
  151    HA   THR  47           HA       THR  47  -0.932  -7.292  -9.188
  152    HB   THR  47           HB       THR  47   1.096  -8.410  -9.052
  153    HG1  THR  47           HG1      THR  47   0.919  -9.679  -7.242
  154   1HG2  THR  47          HG21      THR  47   1.631  -6.115  -8.956
  155   2HG2  THR  47          HG22      THR  47   2.627  -6.863  -7.707
  156   3HG2  THR  47          HG23      THR  47   1.153  -6.004  -7.260
  157    H    ARG  48           HN       ARG  48  -1.307  -8.127  -5.829
  158    HA   ARG  48           HA       ARG  48  -3.127 -10.277  -6.533
  159   1HB   ARG  48          HB2       ARG  48  -1.076 -11.472  -6.341
  160   2HB   ARG  48          HB3       ARG  48  -0.612 -10.585  -4.902
  161   1HG   ARG  48          HG2       ARG  48  -2.518 -11.644  -3.702
  162   2HG   ARG  48          HG3       ARG  48  -2.855 -12.594  -5.148
  163   1HD   ARG  48          HD2       ARG  48  -0.264 -12.637  -3.617
  164   2HD   ARG  48          HD3       ARG  48  -1.561 -13.818  -3.432
  165    HE   ARG  48           HE       ARG  48  -0.922 -13.752  -6.135
  166   1HH1  ARG  48          HH1       ARG  48   0.670 -14.541  -3.122
  167   2HH1  ARG  48          HH1       ARG  48   1.745 -15.706  -3.829
  168   1HH2  ARG  48          HH2       ARG  48   0.503 -15.266  -7.088
  169   2HH2  ARG  48          HH2       ARG  48   1.662 -16.107  -6.098
  170    H    ILE  49           HN       ILE  49  -4.900  -9.972  -5.372
  171    HA   ILE  49           HA       ILE  49  -4.630  -9.082  -2.585
  172    HB   ILE  49           HB       ILE  49  -6.836  -8.190  -4.451
  173   1HG1  ILE  49          HG12      ILE  49  -4.476  -6.641  -3.362
  174   2HG1  ILE  49          HG13      ILE  49  -4.699  -7.163  -5.022
  175   1HG2  ILE  49          HG21      ILE  49  -7.455  -6.701  -2.612
  176   2HG2  ILE  49          HG22      ILE  49  -7.553  -8.399  -2.143
  177   3HG2  ILE  49          HG23      ILE  49  -6.188  -7.418  -1.614
  178   1HD1  ILE  49          HD11      ILE  49  -5.258  -4.868  -4.875
  179   2HD1  ILE  49          HD12      ILE  49  -6.743  -5.782  -5.136
  180   3HD1  ILE  49          HD13      ILE  49  -6.364  -5.169  -3.526
  181    H    GLU  50           HN       GLU  50  -5.692 -10.300  -1.184
  182    HA   GLU  50           HA       GLU  50  -7.674 -12.209  -2.236
  183   1HB   GLU  50          HB2       GLU  50  -5.292 -13.124  -1.775
  184   2HB   GLU  50          HB3       GLU  50  -5.703 -12.930  -0.080
  185   1HG   GLU  50          HG2       GLU  50  -7.629 -14.408  -0.389
  186   2HG   GLU  50          HG3       GLU  50  -7.160 -14.641  -2.073
  187    HA   PRO  51           HA       PRO  51 -10.059 -10.417   1.032
  188   1HB   PRO  51          HB2       PRO  51 -11.859 -12.710   0.820
  189   2HB   PRO  51          HB3       PRO  51 -12.153 -11.022   0.402
  190   1HG   PRO  51          HG2       PRO  51 -11.933 -13.002  -1.450
  191   2HG   PRO  51          HG3       PRO  51 -11.507 -11.312  -1.774
  192   1HD   PRO  51          HD2       PRO  51  -9.736 -13.643  -1.203
  193   2HD   PRO  51          HD3       PRO  51  -9.479 -12.272  -2.301
  194    H    SER  52           HN       SER  52  -8.945 -13.701   1.002
  195    HA   SER  52           HA       SER  52  -9.715 -14.368   3.661
  196   1HB   SER  52          HB2       SER  52  -7.571 -15.681   1.986
  197   2HB   SER  52          HB3       SER  52  -8.531 -16.411   3.276
  198    HG   SER  52           HG       SER  52 -10.403 -15.959   1.908
  199    H    LEU  53           HN       LEU  53  -7.036 -12.675   2.264
  200    HA   LEU  53           HA       LEU  53  -5.729 -12.711   4.895
  201   1HB   LEU  53          HB2       LEU  53  -3.615 -12.094   3.602
  202   2HB   LEU  53          HB3       LEU  53  -4.168 -13.751   3.527
  203    HG   LEU  53           HG       LEU  53  -5.253 -13.103   1.291
  204   1HD1  LEU  53          HD11      LEU  53  -4.199 -11.248   0.098
  205   2HD1  LEU  53          HD12      LEU  53  -5.080 -10.681   1.517
  206   3HD1  LEU  53          HD13      LEU  53  -3.322 -10.803   1.564
  207   1HD2  LEU  53          HD21      LEU  53  -3.150 -13.468   0.099
  208   2HD2  LEU  53          HD22      LEU  53  -2.258 -13.143   1.585
  209   3HD2  LEU  53          HD23      LEU  53  -3.320 -14.549   1.483
  210    H    GLU  54           HN       GLU  54  -7.492 -10.781   2.822
  211    HA   GLU  54           HA       GLU  54  -7.853  -8.559   2.666
  212   1HB   GLU  54          HB2       GLU  54  -8.082  -7.447   4.923
  213   2HB   GLU  54          HB3       GLU  54  -9.025  -8.905   4.673
  214   1HG   GLU  54          HG2       GLU  54  -7.231 -10.152   5.911
  215   2HG   GLU  54          HG3       GLU  54  -6.521  -8.587   6.304
  216    H    ALA  55           HN       ALA  55  -5.565  -8.832   1.673
  217    HA   ALA  55           HA       ALA  55  -4.193  -6.416   2.290
  218   1HB   ALA  55          HB1       ALA  55  -3.170  -7.900   3.949
  219   2HB   ALA  55          HB2       ALA  55  -2.718  -9.018   2.663
  220   3HB   ALA  55          HB3       ALA  55  -2.004  -7.404   2.722
  221    H    ALA  56           HN       ALA  56  -2.281  -6.169   0.734
  222    HA   ALA  56           HA       ALA  56  -2.874  -7.564  -1.788
  223   1HB   ALA  56          HB1       ALA  56  -4.087  -5.423  -1.746
  224   2HB   ALA  56          HB2       ALA  56  -2.556  -4.579  -1.510
  225   3HB   ALA  56          HB3       ALA  56  -2.851  -5.473  -3.002
  226    H    PHE  57           HN       PHE  57  -1.141  -8.155  -2.904
  227    HA   PHE  57           HA       PHE  57   1.494  -7.334  -2.003
  228   1HB   PHE  57          HB2       PHE  57   0.579  -9.254  -4.144
  229   2HB   PHE  57          HB3       PHE  57   2.266  -8.836  -3.906
  230    HD1  PHE  57           HD1      PHE  57   3.379  -9.437  -1.753
  231    HD2  PHE  57           HD2      PHE  57  -0.490 -10.862  -2.804
  232    HE1  PHE  57           HE1      PHE  57   3.601 -11.242  -0.097
  233    HE2  PHE  57           HE2      PHE  57  -0.281 -12.666  -1.140
  234    HZ   PHE  57           HZ       PHE  57   1.768 -12.861   0.214
  235    H    VAL  58           HN       VAL  58   2.720  -5.889  -2.952
  236    HA   VAL  58           HA       VAL  58   1.825  -4.676  -5.477
  237    HB   VAL  58           HB       VAL  58   3.161  -3.420  -3.081
  238   1HG1  VAL  58          HG11      VAL  58   4.376  -2.694  -5.099
  239   2HG1  VAL  58          HG12      VAL  58   2.850  -2.182  -5.819
  240   3HG1  VAL  58          HG13      VAL  58   3.458  -1.375  -4.374
  241   1HG2  VAL  58          HG21      VAL  58   0.739  -3.468  -3.027
  242   2HG2  VAL  58          HG22      VAL  58   1.287  -1.814  -3.308
  243   3HG2  VAL  58          HG23      VAL  58   0.660  -2.776  -4.647
  244    H    ASP  59           HN       ASP  59   3.186  -4.711  -7.129
  245    HA   ASP  59           HA       ASP  59   5.783  -5.992  -6.660
  246   1HB   ASP  59          HB2       ASP  59   4.124  -7.094  -8.217
  247   2HB   ASP  59          HB3       ASP  59   4.302  -5.692  -9.286
  248    H    TYR  60           HN       TYR  60   7.296  -4.481  -6.375
  249    HA   TYR  60           HA       TYR  60   7.626  -2.545  -8.563
  250   1HB   TYR  60          HB2       TYR  60   8.795  -1.065  -6.932
  251   2HB   TYR  60          HB3       TYR  60   7.112  -1.335  -6.496
  252    HD1  TYR  60           HD1      TYR  60   6.641  -3.144  -4.696
  253    HD2  TYR  60           HD2      TYR  60  10.493  -1.457  -5.368
  254    HE1  TYR  60           HE1      TYR  60   7.358  -3.887  -2.463
  255    HE2  TYR  60           HE2      TYR  60  11.214  -2.201  -3.144
  256    HH   TYR  60           HH       TYR  60   9.381  -4.390  -1.254
  257    H    GLY  61           HN       GLY  61   8.631  -4.613  -9.412
  258   1HA   GLY  61          HA1       GLY  61  10.415  -6.020  -9.798
  259   2HA   GLY  61          HA2       GLY  61  11.417  -4.653  -9.323
  260    H    ALA  62           HN       ALA  62   9.083  -6.242  -7.250
  261    HA   ALA  62           HA       ALA  62  11.192  -6.548  -5.257
  262   1HB   ALA  62          HB1       ALA  62   9.176  -5.313  -4.639
  263   2HB   ALA  62          HB2       ALA  62   8.196  -6.743  -4.963
  264   3HB   ALA  62          HB3       ALA  62   9.373  -6.759  -3.648
  265    H    GLU  63           HN       GLU  63  11.360  -8.440  -3.959
  266    HA   GLU  63           HA       GLU  63  11.018 -10.839  -5.603
  267   1HB   GLU  63          HB2       GLU  63  13.269 -10.112  -4.668
  268   2HB   GLU  63          HB3       GLU  63  12.651 -10.539  -3.080
  269   1HG   GLU  63          HG2       GLU  63  14.018 -12.312  -4.012
  270   2HG   GLU  63          HG3       GLU  63  12.348 -12.838  -3.796
  271    H    ARG  64           HN       ARG  64  10.046  -9.408  -2.584
  272    HA   ARG  64           HA       ARG  64   8.473 -11.829  -2.002
  273   1HB   ARG  64          HB2       ARG  64   9.450  -9.680  -0.125
  274   2HB   ARG  64          HB3       ARG  64   8.340 -10.962   0.335
  275   1HG   ARG  64          HG2       ARG  64  11.032 -11.573  -0.832
  276   2HG   ARG  64          HG3       ARG  64  10.820 -11.256   0.889
  277   1HD   ARG  64          HD2       ARG  64  10.776 -13.641   0.470
  278   2HD   ARG  64          HD3       ARG  64   9.195 -13.093   1.016
  279    HE   ARG  64           HE       ARG  64   9.408 -13.202  -1.843
  280   1HH1  ARG  64          HH1       ARG  64   8.862 -15.116   1.027
  281   2HH1  ARG  64          HH1       ARG  64   7.898 -16.314   0.218
  282   1HH2  ARG  64          HH2       ARG  64   8.144 -14.783  -2.941
  283   2HH2  ARG  64          HH2       ARG  64   7.503 -16.130  -2.041
  284    H    HIS  65           HN       HIS  65   8.322  -8.750  -3.170
  285    HA   HIS  65           HA       HIS  65   6.631  -7.373  -3.794
  286   1HB   HIS  65          HB2       HIS  65   5.030  -9.771  -2.988
  287   2HB   HIS  65          HB3       HIS  65   4.201  -8.242  -3.244
  288    HD1  HIS  65           HD1      HIS  65   2.990  -9.329  -5.293
  289    HD2  HIS  65           HD2      HIS  65   7.112  -9.010  -5.669
  290    HE1  HIS  65           HE1      HIS  65   3.462  -9.630  -7.727
  291    HE2  HIS  65           HE2      HIS  65   5.939  -9.241  -7.969
  292    H    GLY  66           HN       GLY  66   5.549  -5.657  -2.930
  293   1HA   GLY  66          HA1       GLY  66   5.824  -5.291  -0.084
  294   2HA   GLY  66          HA2       GLY  66   5.179  -4.124  -1.233
  295    H    PHE  67           HN       PHE  67   4.441  -6.389   1.156
  296    HA   PHE  67           HA       PHE  67   1.699  -6.759   0.244
  297   1HB   PHE  67          HB2       PHE  67   3.262  -8.557   1.305
  298   2HB   PHE  67          HB3       PHE  67   2.814  -7.808   2.827
  299    HD1  PHE  67           HD1      PHE  67   0.601  -8.269  -0.104
  300    HD2  PHE  67           HD2      PHE  67   1.610  -9.576   3.819
  301    HE1  PHE  67           HE1      PHE  67  -1.458  -9.608  -0.024
  302    HE2  PHE  67           HE2      PHE  67  -0.444 -10.920   3.901
  303    HZ   PHE  67           HZ       PHE  67  -1.925 -11.027   1.923
  304    H    LEU  68           HN       LEU  68   0.675  -4.859   0.507
  305    HA   LEU  68           HA       LEU  68   0.765  -3.398   3.013
  306   1HB   LEU  68          HB2       LEU  68   0.271  -2.700   0.383
  307   2HB   LEU  68          HB3       LEU  68  -1.330  -2.690   1.087
  308    HG   LEU  68           HG       LEU  68   1.029  -1.016   1.904
  309   1HD1  LEU  68          HD11      LEU  68  -0.470   0.832   1.315
  310   2HD1  LEU  68          HD12      LEU  68  -0.155  -0.234  -0.053
  311   3HD1  LEU  68          HD13      LEU  68  -1.691  -0.333   0.805
  312   1HD2  LEU  68          HD21      LEU  68  -0.439  -0.039   3.600
  313   2HD2  LEU  68          HD22      LEU  68  -1.665  -1.256   3.232
  314   3HD2  LEU  68          HD23      LEU  68  -0.109  -1.744   3.909
  315    HA   PRO  69           HA       PRO  69  -2.720  -5.847   4.533
  316   1HB   PRO  69          HB2       PRO  69  -2.464  -4.197   6.930
  317   2HB   PRO  69          HB3       PRO  69  -2.265  -5.941   6.754
  318   1HG   PRO  69          HG2       PRO  69  -0.209  -4.251   7.257
  319   2HG   PRO  69          HG3       PRO  69  -0.022  -5.777   6.372
  320   1HD   PRO  69          HD2       PRO  69  -0.148  -2.980   5.320
  321   2HD   PRO  69          HD3       PRO  69   0.822  -4.356   4.754
  322    H    LEU  70           HN       LEU  70  -4.838  -5.411   4.578
  323    HA   LEU  70           HA       LEU  70  -5.898  -3.107   3.467
  324   1HB   LEU  70          HB2       LEU  70  -7.171  -5.067   3.370
  325   2HB   LEU  70          HB3       LEU  70  -7.078  -5.328   5.093
  326    HG   LEU  70           HG       LEU  70  -8.586  -3.410   5.455
  327   1HD1  LEU  70          HD11      LEU  70  -8.736  -3.382   2.447
  328   2HD1  LEU  70          HD12      LEU  70  -9.780  -2.465   3.534
  329   3HD1  LEU  70          HD13      LEU  70  -8.051  -2.123   3.476
  330   1HD2  LEU  70          HD21      LEU  70  -9.449  -5.691   5.299
  331   2HD2  LEU  70          HD22      LEU  70 -10.602  -4.515   4.667
  332   3HD2  LEU  70          HD23      LEU  70  -9.646  -5.496   3.556
  333    H    LYS  71           HN       LYS  71  -5.249  -3.827   6.791
  334    HA   LYS  71           HA       LYS  71  -6.906  -1.947   8.033
  335   1HB   LYS  71          HB2       LYS  71  -5.314  -2.185   9.944
  336   2HB   LYS  71          HB3       LYS  71  -5.878  -3.721   9.295
  337   1HG   LYS  71          HG2       LYS  71  -3.765  -3.848   7.962
  338   2HG   LYS  71          HG3       LYS  71  -3.201  -2.418   8.828
  339   1HD   LYS  71          HD2       LYS  71  -4.016  -5.007  10.134
  340   2HD   LYS  71          HD3       LYS  71  -2.354  -4.549   9.756
  341   1HE   LYS  71          HE2       LYS  71  -4.200  -2.963  11.530
  342   2HE   LYS  71          HE3       LYS  71  -3.019  -4.134  12.108
  343   1HZ   LYS  71          HZ1       LYS  71  -2.350  -1.706  10.520
  344   2HZ   LYS  71          HZ2       LYS  71  -1.250  -2.809  11.192
  345   3HZ   LYS  71          HZ3       LYS  71  -2.203  -1.842  12.206
  346    H    GLU  72           HN       GLU  72  -3.999  -1.525   6.242
  347    HA   GLU  72           HA       GLU  72  -3.353   1.012   7.535
  348   1HB   GLU  72          HB2       GLU  72  -1.898  -0.290   5.234
  349   2HB   GLU  72          HB3       GLU  72  -1.292   0.934   6.345
  350   1HG   GLU  72          HG2       GLU  72  -2.023  -1.867   7.178
  351   2HG   GLU  72          HG3       GLU  72  -0.397  -1.365   6.728
  352    H    ILE  73           HN       ILE  73  -5.038  -0.158   4.810
  353    HA   ILE  73           HA       ILE  73  -4.247   1.436   2.723
  354    HB   ILE  73           HB       ILE  73  -6.978   0.313   3.312
  355   1HG1  ILE  73          HG12      ILE  73  -4.636  -0.569   1.628
  356   2HG1  ILE  73          HG13      ILE  73  -5.341  -1.396   3.014
  357   1HG2  ILE  73          HG21      ILE  73  -7.630   0.749   1.066
  358   2HG2  ILE  73          HG22      ILE  73  -7.077   2.269   1.763
  359   3HG2  ILE  73          HG23      ILE  73  -6.033   1.372   0.662
  360   1HD1  ILE  73          HD11      ILE  73  -5.961  -2.506   0.971
  361   2HD1  ILE  73          HD12      ILE  73  -7.385  -1.781   1.715
  362   3HD1  ILE  73          HD13      ILE  73  -6.629  -1.006   0.324
  363    H    ALA  74           HN       ALA  74  -4.514   3.436   2.042
  364    HA   ALA  74           HA       ALA  74  -5.839   5.352   3.794
  365   1HB   ALA  74          HB1       ALA  74  -4.613   7.042   2.493
  366   2HB   ALA  74          HB2       ALA  74  -3.531   5.808   3.148
  367   3HB   ALA  74          HB3       ALA  74  -3.989   5.768   1.443
  368    H    ARG  75           HN       ARG  75  -7.242   6.893   3.069
  369    HA   ARG  75           HA       ARG  75  -9.372   6.160   1.481
  370   1HB   ARG  75          HB2       ARG  75  -9.280   7.956   3.229
  371   2HB   ARG  75          HB3       ARG  75  -8.474   8.985   2.057
  372   1HG   ARG  75          HG2       ARG  75 -10.691   9.672   2.008
  373   2HG   ARG  75          HG3       ARG  75 -10.538   8.627   0.596
  374   1HD   ARG  75          HD2       ARG  75 -11.637   6.835   1.700
  375   2HD   ARG  75          HD3       ARG  75 -11.540   7.654   3.261
  376    HE   ARG  75           HE       ARG  75 -13.328   8.361   1.032
  377   1HH1  ARG  75          HH1       ARG  75 -12.406   8.613   4.412
  378   2HH1  ARG  75          HH1       ARG  75 -13.805   9.545   4.854
  379   1HH2  ARG  75          HH2       ARG  75 -15.149   9.616   1.614
  380   2HH2  ARG  75          HH2       ARG  75 -15.349  10.140   3.261
  381    H    GLU  76           HN       GLU  76  -6.320   7.377   0.361
  382    HA   GLU  76           HA       GLU  76  -7.156   8.586  -2.052
  383   1HB   GLU  76          HB2       GLU  76  -4.806   8.556  -1.011
  384   2HB   GLU  76          HB3       GLU  76  -4.621   6.972  -1.759
  385   1HG   GLU  76          HG2       GLU  76  -3.641   8.578  -3.220
  386   2HG   GLU  76          HG3       GLU  76  -5.151   8.025  -3.947
  387    H    TYR  77           HN       TYR  77  -6.913   5.300  -1.063
  388    HA   TYR  77           HA       TYR  77  -6.743   4.269  -3.770
  389   1HB   TYR  77          HB2       TYR  77  -6.915   2.798  -1.134
  390   2HB   TYR  77          HB3       TYR  77  -6.535   2.086  -2.699
  391    HD1  TYR  77           HD1      TYR  77  -4.606   3.819  -3.901
  392    HD2  TYR  77           HD2      TYR  77  -5.042   2.774   0.198
  393    HE1  TYR  77           HE1      TYR  77  -2.221   4.277  -3.538
  394    HE2  TYR  77           HE2      TYR  77  -2.659   3.230   0.572
  395    HH   TYR  77           HH       TYR  77  -0.725   4.872  -1.688
  396    H    PHE  78           HN       PHE  78  -8.988   4.162  -1.054
  397    HA   PHE  78           HA       PHE  78 -11.130   3.592  -2.964
  398   1HB   PHE  78          HB2       PHE  78 -12.586   3.328  -0.944
  399   2HB   PHE  78          HB3       PHE  78 -11.298   2.146  -1.058
  400    HD1  PHE  78           HD1      PHE  78  -9.087   2.859   0.241
  401    HD2  PHE  78           HD2      PHE  78 -12.999   4.278   1.107
  402    HE1  PHE  78           HE1      PHE  78  -8.375   3.424   2.524
  403    HE2  PHE  78           HE2      PHE  78 -12.293   4.843   3.390
  404    HZ   PHE  78           HZ       PHE  78 -10.023   4.389   4.122
  405    HA   PRO  79           HA       PRO  79 -10.662   7.938  -3.675
  406   1HB   PRO  79          HB2       PRO  79 -13.538   7.402  -4.332
  407   2HB   PRO  79          HB3       PRO  79 -12.358   8.413  -5.181
  408   1HG   PRO  79          HG2       PRO  79 -12.907   5.876  -5.943
  409   2HG   PRO  79          HG3       PRO  79 -11.317   6.625  -6.153
  410   1HD   PRO  79          HD2       PRO  79 -12.075   4.434  -4.396
  411   2HD   PRO  79          HD3       PRO  79 -10.458   5.059  -4.770
  412    H    ALA  80           HN       ALA  80 -10.875   9.678  -2.569
  413    HA   ALA  80           HA       ALA  80 -11.911   9.834  -0.023
  414   1HB   ALA  80          HB1       ALA  80 -10.195  11.302  -1.028
  415   2HB   ALA  80          HB2       ALA  80 -11.474  12.134  -1.911
  416   3HB   ALA  80          HB3       ALA  80 -11.447  12.187  -0.148
  417    H    ASN  81           HN       ASN  81 -13.580  10.350  -3.052
  418    HA   ASN  81           HA       ASN  81 -15.876  11.611  -1.815
  419   1HB   ASN  81          HB2       ASN  81 -15.364  10.585  -4.612
  420   2HB   ASN  81          HB3       ASN  81 -16.896  11.298  -4.114
  421   1HD2  ASN  81          HD21      ASN  81 -14.833  12.140  -6.073
  422   2HD2  ASN  81          HD22      ASN  81 -14.439  13.771  -5.637
  423    H    TYR  82           HN       TYR  82 -14.747   8.487  -2.012
  424    HA   TYR  82           HA       TYR  82 -17.339   7.168  -1.957
  425   1HB   TYR  82          HB2       TYR  82 -15.595   5.931  -3.047
  426   2HB   TYR  82          HB3       TYR  82 -14.474   6.214  -1.723
  427    HD1  TYR  82           HD1      TYR  82 -17.639   4.433  -2.576
  428    HD2  TYR  82           HD2      TYR  82 -14.238   4.645  -0.020
  429    HE1  TYR  82           HE1      TYR  82 -18.241   2.258  -1.596
  430    HE2  TYR  82           HE2      TYR  82 -14.834   2.473   0.961
  431    HH   TYR  82           HH       TYR  82 -17.195   0.416  -0.414
  432    H    SER  83           HN       SER  83 -18.397   6.577  -0.102
  433    HA   SER  83           HA       SER  83 -17.477   7.610   2.393
  434   1HB   SER  83          HB2       SER  83 -19.908   7.308   1.751
  435   2HB   SER  83          HB3       SER  83 -19.677   5.574   1.979
  436    HG   SER  83           HG       SER  83 -20.330   6.172   3.935
  437    H    ALA  84           HN       ALA  84 -16.024   6.721   3.663
  438    HA   ALA  84           HA       ALA  84 -14.642   4.409   2.873
  439   1HB   ALA  84          HB1       ALA  84 -14.476   5.890   5.486
  440   2HB   ALA  84          HB2       ALA  84 -13.273   4.776   4.832
  441   3HB   ALA  84          HB3       ALA  84 -13.599   6.301   4.009
  442    H    HIS  85           HN       HIS  85 -17.328   4.816   4.960
  443    HA   HIS  85           HA       HIS  85 -18.619   3.372   6.146
  444   1HB   HIS  85          HB2       HIS  85 -16.968   1.301   4.688
  445   2HB   HIS  85          HB3       HIS  85 -18.307   0.896   5.755
  446    HD1  HIS  85           HD1      HIS  85 -17.605   1.380   2.299
  447    HD2  HIS  85           HD2      HIS  85 -20.801   2.314   4.793
  448    HE1  HIS  85           HE1      HIS  85 -19.577   1.716   0.780
  449    HE2  HIS  85           HE2      HIS  85 -21.523   2.172   2.310
  450    H    GLY  86           HN       GLY  86 -16.007   4.407   7.071
  451   1HA   GLY  86          HA1       GLY  86 -15.069   4.341   9.215
  452   2HA   GLY  86          HA2       GLY  86 -15.798   2.762   9.463
  453    H    ARG  87           HN       ARG  87 -14.885   1.167   7.615
  454    HA   ARG  87           HA       ARG  87 -11.986   1.499   7.483
  455   1HB   ARG  87          HB2       ARG  87 -11.798  -0.982   8.111
  456   2HB   ARG  87          HB3       ARG  87 -12.097   0.164   9.409
  457   1HG   ARG  87          HG2       ARG  87 -14.480  -0.413   9.359
  458   2HG   ARG  87          HG3       ARG  87 -14.156  -1.589   8.082
  459   1HD   ARG  87          HD2       ARG  87 -12.817  -2.917   9.526
  460   2HD   ARG  87          HD3       ARG  87 -12.784  -1.656  10.759
  461    HE   ARG  87           HE       ARG  87 -15.412  -2.207  10.565
  462   1HH1  ARG  87          HH1       ARG  87 -12.587  -4.252  10.939
  463   2HH1  ARG  87          HH1       ARG  87 -13.425  -5.456  11.875
  464   1HH2  ARG  87          HH2       ARG  87 -16.520  -3.794  11.811
  465   2HH2  ARG  87          HH2       ARG  87 -15.653  -5.194  12.367
  466    HA   PRO  88           HA       PRO  88 -12.728   0.346   3.304
  467   1HB   PRO  88          HB2       PRO  88 -10.057  -0.427   2.861
  468   2HB   PRO  88          HB3       PRO  88 -10.761   1.157   2.552
  469   1HG   PRO  88          HG2       PRO  88  -9.017   0.271   4.726
  470   2HG   PRO  88          HG3       PRO  88  -9.345   1.915   4.149
  471   1HD   PRO  88          HD2       PRO  88 -10.284   0.808   6.509
  472   2HD   PRO  88          HD3       PRO  88 -10.963   2.229   5.699
  473    H    ASN  89           HN       ASN  89 -12.912  -1.470   2.004
  474    HA   ASN  89           HA       ASN  89 -12.034  -4.050   3.126
  475   1HB   ASN  89          HB2       ASN  89 -14.448  -4.009   2.942
  476   2HB   ASN  89          HB3       ASN  89 -14.354  -3.420   1.283
  477   1HD2  ASN  89          HD21      ASN  89 -14.054  -4.824  -0.355
  478   2HD2  ASN  89          HD22      ASN  89 -14.003  -6.541  -0.160
  479    H    ILE  90           HN       ILE  90 -10.301  -4.841   2.107
  480    HA   ILE  90           HA       ILE  90  -9.040  -3.304   0.179
  481    HB   ILE  90           HB       ILE  90  -7.851  -4.738   1.770
  482   1HG1  ILE  90          HG12      ILE  90  -6.941  -5.561  -0.941
  483   2HG1  ILE  90          HG13      ILE  90  -7.012  -3.848  -0.556
  484   1HG2  ILE  90          HG21      ILE  90  -8.638  -7.008  -0.054
  485   2HG2  ILE  90          HG22      ILE  90  -7.464  -7.103   1.261
  486   3HG2  ILE  90          HG23      ILE  90  -9.165  -6.780   1.615
  487   1HD1  ILE  90          HD11      ILE  90  -5.523  -4.202   1.322
  488   2HD1  ILE  90          HD12      ILE  90  -5.470  -5.929   0.965
  489   3HD1  ILE  90          HD13      ILE  90  -4.800  -4.770  -0.183
  490    H    LYS  91           HN       LYS  91 -10.691  -6.417  -0.333
  491    HA   LYS  91           HA       LYS  91 -10.122  -6.677  -3.026
  492   1HB   LYS  91          HB2       LYS  91 -12.390  -7.567  -1.319
  493   2HB   LYS  91          HB3       LYS  91 -12.523  -7.764  -3.060
  494   1HG   LYS  91          HG2       LYS  91 -10.293  -8.834  -1.360
  495   2HG   LYS  91          HG3       LYS  91 -11.674  -9.760  -1.933
  496   1HD   LYS  91          HD2       LYS  91  -9.693  -8.377  -3.745
  497   2HD   LYS  91          HD3       LYS  91  -9.588 -10.068  -3.267
  498   1HE   LYS  91          HE2       LYS  91 -10.592 -10.051  -5.408
  499   2HE   LYS  91          HE3       LYS  91 -11.888 -10.375  -4.263
  500   1HZ   LYS  91          HZ1       LYS  91 -11.339  -7.641  -5.258
  501   2HZ   LYS  91          HZ2       LYS  91 -12.752  -8.233  -4.527
  502   3HZ   LYS  91          HZ3       LYS  91 -12.349  -8.706  -6.103
  503    H    ASP  92           HN       ASP  92 -12.308  -4.394  -1.563
  504    HA   ASP  92           HA       ASP  92 -13.373  -3.726  -4.234
  505   1HB   ASP  92          HB2       ASP  92 -14.541  -3.407  -1.480
  506   2HB   ASP  92          HB3       ASP  92 -15.123  -2.429  -2.826
  507    H    VAL  93           HN       VAL  93 -10.922  -2.873  -2.505
  508    HA   VAL  93           HA       VAL  93 -11.282   0.038  -2.844
  509    HB   VAL  93           HB       VAL  93  -9.565  -1.477  -0.867
  510   1HG1  VAL  93          HG11      VAL  93  -8.784   0.710  -0.084
  511   2HG1  VAL  93          HG12      VAL  93  -8.288   0.384  -1.746
  512   3HG1  VAL  93          HG13      VAL  93  -9.631   1.480  -1.429
  513   1HG2  VAL  93          HG21      VAL  93 -10.863  -0.106   0.772
  514   2HG2  VAL  93          HG22      VAL  93 -11.884   0.417  -0.567
  515   3HG2  VAL  93          HG23      VAL  93 -11.819  -1.286  -0.124
  516    H    LEU  94           HN       LEU  94  -8.879  -2.563  -2.867
  517    HA   LEU  94           HA       LEU  94  -7.330  -1.027  -4.827
  518   1HB   LEU  94          HB2       LEU  94  -6.521  -3.476  -3.266
  519   2HB   LEU  94          HB3       LEU  94  -5.492  -2.552  -4.334
  520    HG   LEU  94           HG       LEU  94  -6.644  -1.561  -1.724
  521   1HD1  LEU  94          HD11      LEU  94  -3.841  -2.357  -2.495
  522   2HD1  LEU  94          HD12      LEU  94  -4.326  -1.652  -0.952
  523   3HD1  LEU  94          HD13      LEU  94  -4.917  -3.247  -1.417
  524   1HD2  LEU  94          HD21      LEU  94  -5.191   0.363  -2.059
  525   2HD2  LEU  94          HD22      LEU  94  -4.697  -0.272  -3.629
  526   3HD2  LEU  94          HD23      LEU  94  -6.369   0.227  -3.365
  527    H    ARG  95           HN       ARG  95  -6.602  -2.053  -6.698
  528    HA   ARG  95           HA       ARG  95  -7.559  -4.717  -7.323
  529   1HB   ARG  95          HB2       ARG  95  -8.496  -4.034  -9.498
  530   2HB   ARG  95          HB3       ARG  95  -9.384  -3.336  -8.154
  531   1HG   ARG  95          HG2       ARG  95  -7.207  -1.754  -9.418
  532   2HG   ARG  95          HG3       ARG  95  -8.760  -1.896 -10.246
  533   1HD   ARG  95          HD2       ARG  95  -8.364  -0.923  -7.418
  534   2HD   ARG  95          HD3       ARG  95  -8.600   0.116  -8.826
  535    HE   ARG  95           HE       ARG  95 -10.700  -1.792  -8.566
  536   1HH1  ARG  95          HH1       ARG  95  -9.495   1.230  -7.273
  537   2HH1  ARG  95          HH1       ARG  95 -11.068   1.787  -6.780
  538   1HH2  ARG  95          HH2       ARG  95 -12.759  -1.066  -7.928
  539   2HH2  ARG  95          HH2       ARG  95 -12.924   0.486  -7.160
  540    H    GLU  96           HN       GLU  96  -6.444  -5.643  -9.114
  541    HA   GLU  96           HA       GLU  96  -3.700  -5.043  -9.036
  542   1HB   GLU  96          HB2       GLU  96  -5.199  -6.748 -11.034
  543   2HB   GLU  96          HB3       GLU  96  -3.462  -6.785 -10.735
  544   1HG   GLU  96          HG2       GLU  96  -3.744  -7.708  -8.589
  545   2HG   GLU  96          HG3       GLU  96  -5.471  -7.360  -8.578
  546    H    GLY  97           HN       GLY  97  -2.611  -3.526 -10.047
  547   1HA   GLY  97          HA1       GLY  97  -2.020  -2.421 -12.138
  548   2HA   GLY  97          HA2       GLY  97  -3.732  -2.402 -12.539
  549    H    GLN  98           HN       GLN  98  -4.190  -1.696  -9.561
  550    HA   GLN  98           HA       GLN  98  -4.133   1.161  -9.936
  551   1HB   GLN  98          HB2       GLN  98  -5.952  -0.106  -8.705
  552   2HB   GLN  98          HB3       GLN  98  -4.794  -0.346  -7.403
  553   1HG   GLN  98          HG2       GLN  98  -4.697   1.948  -6.922
  554   2HG   GLN  98          HG3       GLN  98  -5.525   2.378  -8.417
  555   1HE2  GLN  98          HE21      GLN  98  -5.899   1.073  -5.215
  556   2HE2  GLN  98          HE22      GLN  98  -7.617   1.253  -5.123
  557    H    GLU  99           HN       GLU  99  -2.741   2.610  -9.030
  558    HA   GLU  99           HA       GLU  99  -0.251   1.509  -8.040
  559   1HB   GLU  99          HB2       GLU  99   0.600   3.803  -8.255
  560   2HB   GLU  99          HB3       GLU  99  -0.138   3.238  -9.753
  561   1HG   GLU  99          HG2       GLU  99  -2.185   4.452  -9.165
  562   2HG   GLU  99          HG3       GLU  99  -1.384   5.081  -7.712
  563    H    VAL 100           HN       VAL 100   0.800   2.282  -6.186
  564    HA   VAL 100           HA       VAL 100  -0.806   3.782  -4.248
  565    HB   VAL 100           HB       VAL 100  -0.023   2.373  -2.424
  566   1HG1  VAL 100          HG11      VAL 100  -1.368   0.360  -2.882
  567   2HG1  VAL 100          HG12      VAL 100  -2.177   1.866  -3.323
  568   3HG1  VAL 100          HG13      VAL 100  -1.465   0.845  -4.574
  569   1HG2  VAL 100          HG21      VAL 100   1.081   0.236  -2.833
  570   2HG2  VAL 100          HG22      VAL 100   1.151   0.603  -4.556
  571   3HG2  VAL 100          HG23      VAL 100   2.057   1.591  -3.408
  572    H    ILE 101           HN       ILE 101   0.429   5.065  -2.832
  573    HA   ILE 101           HA       ILE 101   3.287   5.264  -3.499
  574    HB   ILE 101           HB       ILE 101   1.936   7.183  -1.644
  575   1HG1  ILE 101          HG12      ILE 101   0.389   7.020  -3.554
  576   2HG1  ILE 101          HG13      ILE 101   1.192   8.582  -3.507
  577   1HG2  ILE 101          HG21      ILE 101   3.526   8.756  -2.692
  578   2HG2  ILE 101          HG22      ILE 101   4.324   7.357  -1.971
  579   3HG2  ILE 101          HG23      ILE 101   4.107   7.444  -3.718
  580   1HD1  ILE 101          HD11      ILE 101   1.019   7.713  -5.771
  581   2HD1  ILE 101          HD12      ILE 101   2.702   7.868  -5.267
  582   3HD1  ILE 101          HD13      ILE 101   1.933   6.282  -5.292
  583    H    VAL 102           HN       VAL 102   4.534   4.055  -2.193
  584    HA   VAL 102           HA       VAL 102   3.806   3.785   0.637
  585    HB   VAL 102           HB       VAL 102   4.219   1.272   0.392
  586   1HG1  VAL 102          HG11      VAL 102   2.038   2.184   0.929
  587   2HG1  VAL 102          HG12      VAL 102   1.730   2.516  -0.779
  588   3HG1  VAL 102          HG13      VAL 102   1.864   0.850  -0.215
  589   1HG2  VAL 102          HG21      VAL 102   3.626   0.339  -1.824
  590   2HG2  VAL 102          HG22      VAL 102   3.629   1.970  -2.487
  591   3HG2  VAL 102          HG23      VAL 102   5.120   1.271  -1.857
  592    H    GLN 103           HN       GLN 103   5.488   3.706   1.925
  593    HA   GLN 103           HA       GLN 103   8.132   3.190   0.760
  594   1HB   GLN 103          HB2       GLN 103   9.031   4.385   2.742
  595   2HB   GLN 103          HB3       GLN 103   7.989   5.400   1.752
  596   1HG   GLN 103          HG2       GLN 103   6.138   4.921   3.342
  597   2HG   GLN 103          HG3       GLN 103   7.305   4.086   4.365
  598   1HE2  GLN 103          HE21      GLN 103   6.233   7.148   3.146
  599   2HE2  GLN 103          HE22      GLN 103   7.105   8.132   4.273
  600    H    ILE 104           HN       ILE 104   9.434   1.649   1.691
  601    HA   ILE 104           HA       ILE 104   8.008  -0.482   2.962
  602    HB   ILE 104           HB       ILE 104  10.851  -0.184   2.037
  603   1HG1  ILE 104          HG12      ILE 104   9.192  -0.496   0.303
  604   2HG1  ILE 104          HG13      ILE 104  10.137  -1.972   0.470
  605   1HG2  ILE 104          HG21      ILE 104   9.640  -2.582   3.404
  606   2HG2  ILE 104          HG22      ILE 104  11.200  -2.550   2.583
  607   3HG2  ILE 104          HG23      ILE 104  10.943  -1.567   4.023
  608   1HD1  ILE 104          HD11      ILE 104   8.319  -2.977   1.773
  609   2HD1  ILE 104          HD12      ILE 104   7.376  -1.500   1.582
  610   3HD1  ILE 104          HD13      ILE 104   7.782  -2.475   0.169
  611    H    ASP 105           HN       ASP 105   7.458  -0.250   4.965
  612    HA   ASP 105           HA       ASP 105   9.089   1.025   6.952
  613   1HB   ASP 105          HB2       ASP 105   6.649   1.149   7.081
  614   2HB   ASP 105          HB3       ASP 105   6.548  -0.607   7.183
  615    H    LYS 106           HN       LYS 106   8.146  -2.274   6.130
  616    HA   LYS 106           HA       LYS 106  10.282  -3.227   7.895
  617   1HB   LYS 106          HB2       LYS 106   7.683  -4.615   7.223
  618   2HB   LYS 106          HB3       LYS 106   8.981  -5.310   8.187
  619   1HG   LYS 106          HG2       LYS 106   8.718  -3.599   9.861
  620   2HG   LYS 106          HG3       LYS 106   7.510  -2.780   8.878
  621   1HD   LYS 106          HD2       LYS 106   6.043  -4.735   9.085
  622   2HD   LYS 106          HD3       LYS 106   7.252  -5.518  10.108
  623   1HE   LYS 106          HE2       LYS 106   5.522  -4.488  11.473
  624   2HE   LYS 106          HE3       LYS 106   7.068  -3.682  11.721
  625   1HZ   LYS 106          HZ1       LYS 106   4.822  -2.706  10.037
  626   2HZ   LYS 106          HZ2       LYS 106   6.335  -1.943  10.166
  627   3HZ   LYS 106          HZ3       LYS 106   5.322  -2.056  11.520
  628    H    GLU 107           HN       GLU 107  11.608  -4.884   7.129
  629    HA   GLU 107           HA       GLU 107  12.248  -4.140   4.442
  630   1HB   GLU 107          HB2       GLU 107  13.749  -5.830   6.435
  631   2HB   GLU 107          HB3       GLU 107  14.403  -5.069   5.000
  632   1HG   GLU 107          HG2       GLU 107  14.173  -2.906   5.903
  633   2HG   GLU 107          HG3       GLU 107  13.150  -3.498   7.214
  634    H    GLU 108           HN       GLU 108  12.600  -5.447   2.726
  635    HA   GLU 108           HA       GLU 108  11.076  -7.850   2.587
  636   1HB   GLU 108          HB2       GLU 108  11.374  -6.285   0.691
  637   2HB   GLU 108          HB3       GLU 108  13.074  -6.721   0.620
  638   1HG   GLU 108          HG2       GLU 108  12.514  -8.989   0.046
  639   2HG   GLU 108          HG3       GLU 108  10.795  -8.643   0.230
  640    H    ARG 109           HN       ARG 109  11.908  -9.284   4.044
  641    HA   ARG 109           HA       ARG 109  14.688 -10.160   3.673
  642   1HB   ARG 109          HB2       ARG 109  12.805 -10.789   5.948
  643   2HB   ARG 109          HB3       ARG 109  14.534 -11.102   5.889
  644   1HG   ARG 109          HG2       ARG 109  15.061  -9.004   6.464
  645   2HG   ARG 109          HG3       ARG 109  13.772  -8.309   5.479
  646   1HD   ARG 109          HD2       ARG 109  12.127  -8.925   7.150
  647   2HD   ARG 109          HD3       ARG 109  13.386  -9.665   8.141
  648    HE   ARG 109           HE       ARG 109  14.294  -7.159   7.912
  649   1HH1  ARG 109          HH1       ARG 109  11.143  -8.437   8.731
  650   2HH1  ARG 109          HH1       ARG 109  10.688  -7.076   9.715
  651   1HH2  ARG 109          HH2       ARG 109  13.723  -5.348   9.196
  652   2HH2  ARG 109          HH2       ARG 109  12.175  -5.318   9.997
  653    H    GLY 110           HN       GLY 110  11.970 -11.964   5.027
  654   1HA   GLY 110          HA1       GLY 110  11.710 -13.677   2.740
  655   2HA   GLY 110          HA2       GLY 110  12.621 -14.418   4.043
  656    H    ASN 111           HN       ASN 111  11.275 -13.480   6.268
  657    HA   ASN 111           HA       ASN 111   9.218 -15.387   6.419
  658   1HB   ASN 111          HB2       ASN 111  10.384 -14.757   8.409
  659   2HB   ASN 111          HB3       ASN 111   9.927 -13.069   8.217
  660   1HD2  ASN 111          HD21      ASN 111   8.825 -16.255   9.109
  661   2HD2  ASN 111          HD22      ASN 111   7.386 -15.738   9.915
  662    H    LYS 112           HN       LYS 112   8.935 -11.801   6.354
  663    HA   LYS 112           HA       LYS 112   6.328 -12.246   5.081
  664   1HB   LYS 112          HB2       LYS 112   7.066  -9.996   6.953
  665   2HB   LYS 112          HB3       LYS 112   5.588 -10.050   6.001
  666   1HG   LYS 112          HG2       LYS 112   5.006 -12.179   7.157
  667   2HG   LYS 112          HG3       LYS 112   6.410 -11.932   8.197
  668   1HD   LYS 112          HD2       LYS 112   4.488 -11.124   9.360
  669   2HD   LYS 112          HD3       LYS 112   5.440  -9.727   8.853
  670   1HE   LYS 112          HE2       LYS 112   3.067  -9.337   8.473
  671   2HE   LYS 112          HE3       LYS 112   3.942  -9.401   6.945
  672   1HZ   LYS 112          HZ1       LYS 112   1.811 -10.632   6.933
  673   2HZ   LYS 112          HZ2       LYS 112   2.444 -11.694   8.097
  674   3HZ   LYS 112          HZ3       LYS 112   3.149 -11.606   6.557
  675    H    GLY 113           HN       GLY 113   9.170 -10.228   5.356
  676   1HA   GLY 113          HA1       GLY 113  10.442  -9.481   3.560
  677   2HA   GLY 113          HA2       GLY 113   9.120  -9.897   2.481
  678    H    ALA 114           HN       ALA 114   8.521  -8.178   1.457
  679    HA   ALA 114           HA       ALA 114   9.127  -5.558   2.429
  680   1HB   ALA 114          HB1       ALA 114   8.257  -4.835   0.239
  681   2HB   ALA 114          HB2       ALA 114   9.469  -6.111   0.109
  682   3HB   ALA 114          HB3       ALA 114   7.762  -6.500  -0.085
  683    H    ALA 115           HN       ALA 115   7.866  -4.708   3.961
  684    HA   ALA 115           HA       ALA 115   4.951  -5.022   3.727
  685   1HB   ALA 115          HB1       ALA 115   5.943  -5.680   5.878
  686   2HB   ALA 115          HB2       ALA 115   6.569  -4.042   6.073
  687   3HB   ALA 115          HB3       ALA 115   4.830  -4.322   6.049
  688    H    LEU 116           HN       LEU 116   3.762  -3.362   3.048
  689    HA   LEU 116           HA       LEU 116   5.080  -0.795   2.633
  690   1HB   LEU 116          HB2       LEU 116   2.257  -1.530   1.889
  691   2HB   LEU 116          HB3       LEU 116   3.217  -0.194   1.275
  692    HG   LEU 116           HG       LEU 116   3.809  -3.105   0.729
  693   1HD1  LEU 116          HD11      LEU 116   2.952  -2.593  -1.532
  694   2HD1  LEU 116          HD12      LEU 116   1.708  -2.503  -0.286
  695   3HD1  LEU 116          HD13      LEU 116   2.409  -1.024  -0.940
  696   1HD2  LEU 116          HD21      LEU 116   5.783  -1.747   0.576
  697   2HD2  LEU 116          HD22      LEU 116   5.241  -2.146  -1.052
  698   3HD2  LEU 116          HD23      LEU 116   4.933  -0.541  -0.388
  699    H    THR 117           HN       THR 117   4.321   1.127   3.473
  700    HA   THR 117           HA       THR 117   2.411   0.888   5.703
  701    HB   THR 117           HB       THR 117   4.768   1.596   6.270
  702    HG1  THR 117           HG1      THR 117   4.005   2.941   7.799
  703   1HG2  THR 117          HG21      THR 117   5.256   2.910   4.296
  704   2HG2  THR 117          HG22      THR 117   5.400   3.917   5.740
  705   3HG2  THR 117          HG23      THR 117   3.973   4.045   4.710
  706    H    THR 118           HN       THR 118   1.300   3.106   6.087
  707    HA   THR 118           HA       THR 118   0.811   4.457   3.528
  708    HB   THR 118           HB       THR 118  -1.494   4.981   4.515
  709    HG1  THR 118           HG1      THR 118  -2.166   3.195   5.953
  710   1HG2  THR 118          HG21      THR 118  -1.149   3.518   2.601
  711   2HG2  THR 118          HG22      THR 118  -2.402   2.855   3.652
  712   3HG2  THR 118          HG23      THR 118  -0.776   2.170   3.673
  713    H    PHE 119           HN       PHE 119   2.657   4.931   5.787
  714    HA   PHE 119           HA       PHE 119   1.856   7.435   6.950
  715   1HB   PHE 119          HB2       PHE 119   3.427   5.952   8.102
  716   2HB   PHE 119          HB3       PHE 119   4.546   6.046   6.751
  717    HD1  PHE 119           HD1      PHE 119   2.707   8.516   8.878
  718    HD2  PHE 119           HD2      PHE 119   6.410   7.262   7.198
  719    HE1  PHE 119           HE1      PHE 119   3.832  10.430   9.936
  720    HE2  PHE 119           HE2      PHE 119   7.541   9.175   8.253
  721    HZ   PHE 119           HZ       PHE 119   6.252  10.758   9.622
  722    H    ILE 120           HN       ILE 120   1.357   7.569   4.327
  723    HA   ILE 120           HA       ILE 120   3.427   9.339   3.224
  724    HB   ILE 120           HB       ILE 120   1.785   7.361   1.620
  725   1HG1  ILE 120          HG12      ILE 120   4.432   6.642   1.325
  726   2HG1  ILE 120          HG13      ILE 120   4.324   7.045   3.036
  727   1HG2  ILE 120          HG21      ILE 120   2.425   9.331   0.353
  728   2HG2  ILE 120          HG22      ILE 120   4.113   9.087   0.808
  729   3HG2  ILE 120          HG23      ILE 120   3.293   7.901  -0.208
  730   1HD1  ILE 120          HD11      ILE 120   2.506   5.461   3.306
  731   2HD1  ILE 120          HD12      ILE 120   2.562   5.091   1.583
  732   3HD1  ILE 120          HD13      ILE 120   3.928   4.672   2.620
  733    H    SER 121           HN       SER 121   2.504  10.844   1.587
  734    HA   SER 121           HA       SER 121   0.186  12.114   2.609
  735   1HB   SER 121          HB2       SER 121   1.371  12.769  -0.067
  736   2HB   SER 121          HB3       SER 121   0.750  13.857   1.176
  737    HG   SER 121           HG       SER 121   2.702  13.987   1.938
  738    H    LEU 122           HN       LEU 122  -1.089   9.999   2.246
  739    HA   LEU 122           HA       LEU 122  -2.444  10.104  -0.361
  740   1HB   LEU 122          HB2       LEU 122  -2.219   7.806   1.590
  741   2HB   LEU 122          HB3       LEU 122  -3.145   7.780   0.102
  742    HG   LEU 122           HG       LEU 122  -0.330   8.472  -0.300
  743   1HD1  LEU 122          HD11      LEU 122   0.492   6.198   0.084
  744   2HD1  LEU 122          HD12      LEU 122  -0.042   6.964   1.582
  745   3HD1  LEU 122          HD13      LEU 122  -1.063   5.759   0.795
  746   1HD2  LEU 122          HD21      LEU 122  -2.081   6.291  -1.449
  747   2HD2  LEU 122          HD22      LEU 122  -1.944   7.930  -2.092
  748   3HD2  LEU 122          HD23      LEU 122  -0.541   6.861  -2.094
  749    H    ALA 123           HN       ALA 123  -4.782   9.352  -0.119
  750    HA   ALA 123           HA       ALA 123  -6.832   9.278   0.860
  751   1HB   ALA 123          HB1       ALA 123  -7.127   9.375   3.262
  752   2HB   ALA 123          HB2       ALA 123  -5.771   8.318   2.868
  753   3HB   ALA 123          HB3       ALA 123  -5.472   9.950   3.471
  754    H    GLY 124           HN       GLY 124  -6.352  11.301  -0.622
  755   1HA   GLY 124          HA1       GLY 124  -7.841  13.237  -0.768
  756   2HA   GLY 124          HA2       GLY 124  -7.418  13.600   0.900
  757    H    SER 125           HN       SER 125  -5.329  12.694  -1.812
  758    HA   SER 125           HA       SER 125  -3.885  15.221  -1.400
  759   1HB   SER 125          HB2       SER 125  -3.024  12.460  -1.893
  760   2HB   SER 125          HB3       SER 125  -2.203  13.652  -2.910
  761    HG   SER 125           HG       SER 125  -1.404  13.092  -0.620
  Start of MODEL    5
    1   1H    GLY  30           H1       GLY  30   8.911  22.427   3.331
    2   2H    GLY  30           H2       GLY  30   8.113  23.303   4.544
    3   3H    GLY  30           H3       GLY  30   7.414  23.149   3.007
    4   1HA   GLY  30          HA2       GLY  30   7.919  20.899   4.874
    5   2HA   GLY  30          HA1       GLY  30   6.362  21.685   4.654
    6    H    SER  31           HN       SER  31   8.194  21.532   1.792
    7    HA   SER  31           HA       SER  31   6.263  19.862   0.557
    8   1HB   SER  31          HB2       SER  31   7.971  19.994  -1.387
    9   2HB   SER  31          HB3       SER  31   7.188  21.483  -0.859
   10    HG   SER  31           HG       SER  31   9.837  20.631  -0.525
   11    H    HIS  32           HN       HIS  32   6.238  17.740   0.241
   12    HA   HIS  32           HA       HIS  32   8.449  16.216   1.416
   13   1HB   HIS  32          HB2       HIS  32   5.589  15.418   0.835
   14   2HB   HIS  32          HB3       HIS  32   6.809  14.345   1.516
   15    HD1  HIS  32           HD1      HIS  32   4.111  16.396   2.547
   16    HD2  HIS  32           HD2      HIS  32   7.932  15.661   4.031
   17    HE1  HIS  32           HE1      HIS  32   4.048  17.080   4.963
   18    HE2  HIS  32           HE2      HIS  32   6.414  16.818   5.785
   19    H    MET  33           HN       MET  33   9.129  17.149  -0.991
   20    HA   MET  33           HA       MET  33   8.762  15.005  -2.915
   21   1HB   MET  33          HB2       MET  33  10.454  17.510  -2.987
   22   2HB   MET  33          HB3       MET  33  10.392  16.334  -4.293
   23   1HG   MET  33          HG2       MET  33   8.000  16.747  -4.547
   24   2HG   MET  33          HG3       MET  33   8.068  17.925  -3.240
   25   1HE   MET  33          HE1       MET  33   9.317  20.254  -3.395
   26   2HE   MET  33          HE2       MET  33  10.815  19.400  -3.767
   27   3HE   MET  33          HE3       MET  33  10.295  20.747  -4.778
   28    H    LEU  34           HN       LEU  34  10.668  15.760  -0.291
   29    HA   LEU  34           HA       LEU  34  12.642  13.701  -0.981
   30   1HB   LEU  34          HB2       LEU  34  12.663  15.886   1.100
   31   2HB   LEU  34          HB3       LEU  34  13.773  14.536   1.165
   32    HG   LEU  34           HG       LEU  34  14.932  16.384   0.221
   33   1HD1  LEU  34          HD11      LEU  34  15.373  14.193  -0.779
   34   2HD1  LEU  34          HD12      LEU  34  14.161  14.523  -2.016
   35   3HD1  LEU  34          HD13      LEU  34  15.617  15.512  -1.925
   36   1HD2  LEU  34          HD21      LEU  34  12.707  16.601  -1.800
   37   2HD2  LEU  34          HD22      LEU  34  13.017  17.719  -0.472
   38   3HD2  LEU  34          HD23      LEU  34  14.188  17.560  -1.781
   39    H    GLU  35           HN       GLU  35  13.281  12.424   1.124
   40    HA   GLU  35           HA       GLU  35  11.023  10.923   1.873
   41   1HB   GLU  35          HB2       GLU  35  13.751  11.091   3.162
   42   2HB   GLU  35          HB3       GLU  35  12.556   9.843   3.494
   43   1HG   GLU  35          HG2       GLU  35  12.746   8.938   1.334
   44   2HG   GLU  35          HG3       GLU  35  13.611  10.354   0.736
   45    H    GLN  36           HN       GLN  36  13.071  12.966   3.967
   46    HA   GLN  36           HA       GLN  36  12.621  14.234   5.793
   47   1HB   GLN  36          HB2       GLN  36   9.727  14.127   4.904
   48   2HB   GLN  36          HB3       GLN  36  10.420  15.258   6.056
   49   1HG   GLN  36          HG2       GLN  36  11.163  15.083   3.145
   50   2HG   GLN  36          HG3       GLN  36  10.044  16.252   3.842
   51   1HE2  GLN  36          HE21      GLN  36  13.362  15.252   3.588
   52   2HE2  GLN  36          HE22      GLN  36  14.061  16.718   4.184
   53    H    LYS  37           HN       LYS  37  13.252  12.222   6.878
   54    HA   LYS  37           HA       LYS  37  13.051  10.650   8.498
   55   1HB   LYS  37          HB2       LYS  37  10.533  12.188   9.157
   56   2HB   LYS  37          HB3       LYS  37  11.239  10.943  10.178
   57   1HG   LYS  37          HG2       LYS  37  13.289  12.294  10.357
   58   2HG   LYS  37          HG3       LYS  37  12.505  13.560   9.411
   59   1HD   LYS  37          HD2       LYS  37  10.822  13.850  11.112
   60   2HD   LYS  37          HD3       LYS  37  11.459  12.480  12.026
   61   1HE   LYS  37          HE2       LYS  37  13.589  13.699  12.295
   62   2HE   LYS  37          HE3       LYS  37  12.876  15.082  11.466
   63   1HZ   LYS  37          HZ1       LYS  37  11.267  15.307  13.208
   64   2HZ   LYS  37          HZ2       LYS  37  12.818  15.269  13.901
   65   3HZ   LYS  37          HZ3       LYS  37  11.823  13.898  13.973
   66    H    LYS  38           HN       LYS  38  12.356   9.822   6.062
   67    HA   LYS  38           HA       LYS  38   9.992   8.127   6.480
   68   1HB   LYS  38          HB2       LYS  38   9.387   9.994   5.041
   69   2HB   LYS  38          HB3       LYS  38  10.757   9.665   3.995
   70   1HG   LYS  38          HG2       LYS  38   9.775   7.593   3.266
   71   2HG   LYS  38          HG3       LYS  38   8.450   7.777   4.421
   72   1HD   LYS  38          HD2       LYS  38   9.013   9.792   2.257
   73   2HD   LYS  38          HD3       LYS  38   7.954   8.405   2.011
   74   1HE   LYS  38          HE2       LYS  38   6.626  10.343   2.569
   75   2HE   LYS  38          HE3       LYS  38   6.548   9.179   3.888
   76   1HZ   LYS  38          HZ1       LYS  38   8.325  11.562   3.850
   77   2HZ   LYS  38          HZ2       LYS  38   8.094  10.494   5.139
   78   3HZ   LYS  38          HZ3       LYS  38   6.824  11.494   4.639
   79    H    ALA  39           HN       ALA  39  10.194   6.050   5.806
   80    HA   ALA  39           HA       ALA  39  12.676   5.010   4.879
   81   1HB   ALA  39          HB1       ALA  39   9.918   3.780   4.886
   82   2HB   ALA  39          HB2       ALA  39  11.424   2.913   4.588
   83   3HB   ALA  39          HB3       ALA  39  11.120   3.637   6.168
   84    H    ASN  40           HN       ASN  40  12.925   3.938   2.753
   85    HA   ASN  40           HA       ASN  40  12.566   5.734   0.683
   86   1HB   ASN  40          HB2       ASN  40  14.162   3.747   0.814
   87   2HB   ASN  40          HB3       ASN  40  12.808   2.767   0.267
   88   1HD2  ASN  40          HD21      ASN  40  15.416   3.440  -0.977
   89   2HD2  ASN  40          HD22      ASN  40  15.029   4.096  -2.529
   90    H    ILE  41           HN       ILE  41  10.886   6.335  -0.423
   91    HA   ILE  41           HA       ILE  41   8.368   4.916  -0.126
   92    HB   ILE  41           HB       ILE  41   8.492   7.354   0.293
   93   1HG1  ILE  41          HG12      ILE  41   6.587   8.007  -1.314
   94   2HG1  ILE  41          HG13      ILE  41   6.722   6.361  -1.925
   95   1HG2  ILE  41          HG21      ILE  41  10.168   7.995  -1.305
   96   2HG2  ILE  41          HG22      ILE  41   9.109   7.551  -2.644
   97   3HG2  ILE  41          HG23      ILE  41   8.691   8.910  -1.601
   98   1HD1  ILE  41          HD11      ILE  41   6.133   7.145   0.918
   99   2HD1  ILE  41          HD12      ILE  41   4.968   6.544  -0.262
  100   3HD1  ILE  41          HD13      ILE  41   6.267   5.495   0.307
  101    H    TYR  42           HN       TYR  42   7.232   3.974  -1.804
  102    HA   TYR  42           HA       TYR  42   8.431   4.138  -4.484
  103   1HB   TYR  42          HB2       TYR  42   7.510   1.607  -3.101
  104   2HB   TYR  42          HB3       TYR  42   7.975   1.714  -4.792
  105    HD1  TYR  42           HD1      TYR  42   9.128   1.419  -1.382
  106    HD2  TYR  42           HD2      TYR  42  10.356   2.159  -5.385
  107    HE1  TYR  42           HE1      TYR  42  11.447   0.908  -0.755
  108    HE2  TYR  42           HE2      TYR  42  12.684   1.655  -4.767
  109    HH   TYR  42           HH       TYR  42  14.101   1.602  -2.770
  110    H    LYS  43           HN       LYS  43   6.975   3.776  -6.193
  111    HA   LYS  43           HA       LYS  43   4.151   3.501  -5.411
  112   1HB   LYS  43          HB2       LYS  43   4.568   5.668  -6.538
  113   2HB   LYS  43          HB3       LYS  43   5.225   4.803  -7.928
  114   1HG   LYS  43          HG2       LYS  43   2.935   3.572  -7.900
  115   2HG   LYS  43          HG3       LYS  43   2.409   4.963  -6.956
  116   1HD   LYS  43          HD2       LYS  43   3.690   5.114  -9.679
  117   2HD   LYS  43          HD3       LYS  43   1.954   5.176  -9.376
  118   1HE   LYS  43          HE2       LYS  43   2.458   7.158  -7.859
  119   2HE   LYS  43          HE3       LYS  43   4.060   7.168  -8.599
  120   1HZ   LYS  43          HZ1       LYS  43   2.981   7.380 -10.776
  121   2HZ   LYS  43          HZ2       LYS  43   2.615   8.682  -9.753
  122   3HZ   LYS  43          HZ3       LYS  43   1.467   7.461 -10.015
  123    H    GLY  44           HN       GLY  44   3.325   1.627  -5.930
  124   1HA   GLY  44          HA1       GLY  44   4.240   0.276  -8.367
  125   2HA   GLY  44          HA2       GLY  44   4.284  -0.608  -6.843
  126    H    LYS  45           HN       LYS  45   2.770  -1.599  -8.882
  127    HA   LYS  45           HA       LYS  45   0.033  -0.734  -8.305
  128   1HB   LYS  45          HB2       LYS  45   1.023  -2.613 -10.449
  129   2HB   LYS  45          HB3       LYS  45  -0.640  -2.068 -10.233
  130   1HG   LYS  45          HG2       LYS  45  -0.048   0.174 -10.791
  131   2HG   LYS  45          HG3       LYS  45   1.668  -0.214 -10.785
  132   1HD   LYS  45          HD2       LYS  45   1.253  -1.792 -12.668
  133   2HD   LYS  45          HD3       LYS  45  -0.415  -1.213 -12.717
  134   1HE   LYS  45          HE2       LYS  45   0.450   1.081 -13.068
  135   2HE   LYS  45          HE3       LYS  45   2.080   0.417 -13.147
  136   1HZ   LYS  45          HZ1       LYS  45   1.056   0.805 -15.341
  137   2HZ   LYS  45          HZ2       LYS  45  -0.127  -0.359 -14.975
  138   3HZ   LYS  45          HZ3       LYS  45   1.497  -0.813 -15.095
  139    H    ILE  46           HN       ILE  46  -1.577  -2.230  -7.880
  140    HA   ILE  46           HA       ILE  46  -0.886  -4.378  -6.163
  141    HB   ILE  46           HB       ILE  46  -3.406  -3.313  -7.358
  142   1HG1  ILE  46          HG12      ILE  46  -4.102  -3.365  -4.950
  143   2HG1  ILE  46          HG13      ILE  46  -2.500  -3.972  -4.547
  144   1HG2  ILE  46          HG21      ILE  46  -3.184  -6.009  -6.041
  145   2HG2  ILE  46          HG22      ILE  46  -4.688  -5.176  -6.433
  146   3HG2  ILE  46          HG23      ILE  46  -3.604  -5.690  -7.724
  147   1HD1  ILE  46          HD11      ILE  46  -3.125  -1.307  -5.805
  148   2HD1  ILE  46          HD12      ILE  46  -2.666  -1.589  -4.127
  149   3HD1  ILE  46          HD13      ILE  46  -1.512  -1.906  -5.423
  150    H    THR  47           HN       THR  47  -0.542  -6.488  -6.635
  151    HA   THR  47           HA       THR  47  -1.241  -7.395  -9.361
  152    HB   THR  47           HB       THR  47   0.710  -8.837  -9.322
  153    HG1  THR  47           HG1      THR  47   1.129  -9.369  -7.240
  154   1HG2  THR  47          HG21      THR  47   0.982  -6.567 -10.141
  155   2HG2  THR  47          HG22      THR  47   2.442  -7.072  -9.286
  156   3HG2  THR  47          HG23      THR  47   1.283  -5.996  -8.499
  157    H    ARG  48           HN       ARG  48  -1.475  -7.920  -6.013
  158    HA   ARG  48           HA       ARG  48  -3.225 -10.176  -6.442
  159   1HB   ARG  48          HB2       ARG  48  -1.398 -11.473  -6.026
  160   2HB   ARG  48          HB3       ARG  48  -0.595 -10.245  -5.090
  161   1HG   ARG  48          HG2       ARG  48  -1.700 -10.816  -3.142
  162   2HG   ARG  48          HG3       ARG  48  -3.049 -11.557  -4.006
  163   1HD   ARG  48          HD2       ARG  48  -0.333 -12.759  -4.257
  164   2HD   ARG  48          HD3       ARG  48  -1.253 -13.020  -2.772
  165    HE   ARG  48           HE       ARG  48  -3.085 -13.829  -4.334
  166   1HH1  ARG  48          HH1       ARG  48   0.332 -14.134  -5.095
  167   2HH1  ARG  48          HH1       ARG  48   0.114 -15.584  -6.037
  168   1HH2  ARG  48          HH2       ARG  48  -3.354 -15.732  -5.543
  169   2HH2  ARG  48          HH2       ARG  48  -1.978 -16.496  -6.278
  170    H    ILE  49           HN       ILE  49  -4.939 -10.038  -5.169
  171    HA   ILE  49           HA       ILE  49  -4.714  -8.711  -2.573
  172    HB   ILE  49           HB       ILE  49  -6.920  -8.091  -4.556
  173   1HG1  ILE  49          HG12      ILE  49  -4.956  -6.151  -3.383
  174   2HG1  ILE  49          HG13      ILE  49  -4.604  -7.004  -4.885
  175   1HG2  ILE  49          HG21      ILE  49  -6.436  -7.076  -1.757
  176   2HG2  ILE  49          HG22      ILE  49  -7.703  -6.517  -2.849
  177   3HG2  ILE  49          HG23      ILE  49  -7.723  -8.177  -2.253
  178   1HD1  ILE  49          HD11      ILE  49  -6.706  -6.078  -5.810
  179   2HD1  ILE  49          HD12      ILE  49  -6.871  -5.111  -4.342
  180   3HD1  ILE  49          HD13      ILE  49  -5.483  -4.868  -5.412
  181    H    GLU  50           HN       GLU  50  -5.060 -10.465  -1.371
  182    HA   GLU  50           HA       GLU  50  -7.161 -12.321  -2.208
  183   1HB   GLU  50          HB2       GLU  50  -4.594 -12.682  -1.037
  184   2HB   GLU  50          HB3       GLU  50  -5.788 -13.240   0.124
  185   1HG   GLU  50          HG2       GLU  50  -5.417 -15.157  -1.054
  186   2HG   GLU  50          HG3       GLU  50  -6.782 -14.489  -1.947
  187    HA   PRO  51           HA       PRO  51  -9.828 -10.249   0.767
  188   1HB   PRO  51          HB2       PRO  51 -11.465 -12.635   0.063
  189   2HB   PRO  51          HB3       PRO  51 -11.913 -10.926   0.068
  190   1HG   PRO  51          HG2       PRO  51 -11.494 -12.202  -2.222
  191   2HG   PRO  51          HG3       PRO  51 -10.941 -10.530  -2.002
  192   1HD   PRO  51          HD2       PRO  51  -9.374 -13.075  -1.934
  193   2HD   PRO  51          HD3       PRO  51  -8.932 -11.496  -2.616
  194    H    SER  52           HN       SER  52  -8.685 -13.507   0.691
  195    HA   SER  52           HA       SER  52  -9.768 -14.391   3.158
  196   1HB   SER  52          HB2       SER  52  -9.060 -15.881   1.307
  197   2HB   SER  52          HB3       SER  52  -7.385 -15.435   1.613
  198    HG   SER  52           HG       SER  52  -7.579 -17.226   2.779
  199    H    LEU  53           HN       LEU  53  -7.061 -12.361   2.405
  200    HA   LEU  53           HA       LEU  53  -6.131 -12.716   5.170
  201   1HB   LEU  53          HB2       LEU  53  -3.791 -12.179   4.236
  202   2HB   LEU  53          HB3       LEU  53  -4.426 -13.802   4.091
  203    HG   LEU  53           HG       LEU  53  -5.082 -13.258   1.732
  204   1HD1  LEU  53          HD11      LEU  53  -3.473 -10.771   2.275
  205   2HD1  LEU  53          HD12      LEU  53  -3.954 -11.337   0.674
  206   3HD1  LEU  53          HD13      LEU  53  -5.184 -10.859   1.845
  207   1HD2  LEU  53          HD21      LEU  53  -3.075 -14.523   2.242
  208   2HD2  LEU  53          HD22      LEU  53  -2.804 -13.464   0.859
  209   3HD2  LEU  53          HD23      LEU  53  -2.162 -13.029   2.444
  210    H    GLU  54           HN       GLU  54  -7.651 -10.569   3.417
  211    HA   GLU  54           HA       GLU  54  -7.951  -8.348   3.438
  212   1HB   GLU  54          HB2       GLU  54  -7.824  -7.260   5.654
  213   2HB   GLU  54          HB3       GLU  54  -8.678  -8.789   5.670
  214   1HG   GLU  54          HG2       GLU  54  -7.475  -9.065   7.556
  215   2HG   GLU  54          HG3       GLU  54  -6.281  -9.673   6.416
  216    H    ALA  55           HN       ALA  55  -5.576  -8.921   2.177
  217    HA   ALA  55           HA       ALA  55  -4.260  -6.399   2.443
  218   1HB   ALA  55          HB1       ALA  55  -3.181  -7.603   4.265
  219   2HB   ALA  55          HB2       ALA  55  -2.689  -8.869   3.140
  220   3HB   ALA  55          HB3       ALA  55  -2.039  -7.240   2.970
  221    H    ALA  56           HN       ALA  56  -2.261  -6.351   0.922
  222    HA   ALA  56           HA       ALA  56  -2.859  -7.933  -1.484
  223   1HB   ALA  56          HB1       ALA  56  -2.869  -5.910  -2.849
  224   2HB   ALA  56          HB2       ALA  56  -4.143  -5.866  -1.629
  225   3HB   ALA  56          HB3       ALA  56  -2.668  -4.928  -1.399
  226    H    PHE  57           HN       PHE  57  -1.179  -8.169  -2.933
  227    HA   PHE  57           HA       PHE  57   1.458  -7.311  -1.983
  228   1HB   PHE  57          HB2       PHE  57   0.614  -9.388  -3.986
  229   2HB   PHE  57          HB3       PHE  57   2.273  -8.838  -3.869
  230    HD1  PHE  57           HD1      PHE  57   3.467  -9.141  -1.649
  231    HD2  PHE  57           HD2      PHE  57  -0.214 -11.047  -2.590
  232    HE1  PHE  57           HE1      PHE  57   3.885 -10.807   0.113
  233    HE2  PHE  57           HE2      PHE  57   0.188 -12.714  -0.824
  234    HZ   PHE  57           HZ       PHE  57   2.243 -12.597   0.529
  235    H    VAL  58           HN       VAL  58   2.712  -5.988  -3.113
  236    HA   VAL  58           HA       VAL  58   1.583  -4.779  -5.547
  237    HB   VAL  58           HB       VAL  58   2.984  -3.473  -3.218
  238   1HG1  VAL  58          HG11      VAL  58   4.124  -2.654  -5.198
  239   2HG1  VAL  58          HG12      VAL  58   2.576  -2.292  -5.965
  240   3HG1  VAL  58          HG13      VAL  58   3.081  -1.396  -4.533
  241   1HG2  VAL  58          HG21      VAL  58   1.052  -1.961  -3.323
  242   2HG2  VAL  58          HG22      VAL  58   0.413  -2.886  -4.681
  243   3HG2  VAL  58          HG23      VAL  58   0.567  -3.641  -3.094
  244    H    ASP  59           HN       ASP  59   2.854  -4.684  -7.273
  245    HA   ASP  59           HA       ASP  59   5.533  -5.842  -6.995
  246   1HB   ASP  59          HB2       ASP  59   3.970  -6.984  -8.526
  247   2HB   ASP  59          HB3       ASP  59   3.824  -5.493  -9.460
  248    H    TYR  60           HN       TYR  60   6.937  -4.266  -6.619
  249    HA   TYR  60           HA       TYR  60   7.128  -2.132  -8.636
  250   1HB   TYR  60          HB2       TYR  60   8.098  -0.695  -6.815
  251   2HB   TYR  60          HB3       TYR  60   6.412  -1.117  -6.532
  252    HD1  TYR  60           HD1      TYR  60   5.916  -3.021  -4.895
  253    HD2  TYR  60           HD2      TYR  60   9.757  -1.220  -5.217
  254    HE1  TYR  60           HE1      TYR  60   6.543  -3.974  -2.718
  255    HE2  TYR  60           HE2      TYR  60  10.393  -2.167  -3.043
  256    HH   TYR  60           HH       TYR  60   9.544  -3.135  -1.128
  257    H    GLY  61           HN       GLY  61   8.427  -4.037  -9.577
  258   1HA   GLY  61          HA1       GLY  61  10.358  -5.280  -9.856
  259   2HA   GLY  61          HA2       GLY  61  11.165  -3.776  -9.422
  260    H    ALA  62           HN       ALA  62   9.253  -6.242  -7.680
  261    HA   ALA  62           HA       ALA  62  11.207  -6.009  -5.481
  262   1HB   ALA  62          HB1       ALA  62   9.052  -5.013  -4.915
  263   2HB   ALA  62          HB2       ALA  62   8.243  -6.535  -5.288
  264   3HB   ALA  62          HB3       ALA  62   9.368  -6.444  -3.931
  265    H    GLU  63           HN       GLU  63  11.113  -7.969  -3.961
  266    HA   GLU  63           HA       GLU  63  11.451 -10.289  -5.700
  267   1HB   GLU  63          HB2       GLU  63  13.202  -9.430  -4.025
  268   2HB   GLU  63          HB3       GLU  63  12.184 -10.158  -2.788
  269   1HG   GLU  63          HG2       GLU  63  13.977 -11.655  -3.432
  270   2HG   GLU  63          HG3       GLU  63  12.407 -12.329  -3.874
  271    H    ARG  64           HN       ARG  64   9.962  -9.641  -2.477
  272    HA   ARG  64           HA       ARG  64   8.194 -11.909  -3.069
  273   1HB   ARG  64          HB2       ARG  64   8.095 -12.464  -0.861
  274   2HB   ARG  64          HB3       ARG  64   9.689 -11.735  -0.903
  275   1HG   ARG  64          HG2       ARG  64   8.758  -9.648  -0.042
  276   2HG   ARG  64          HG3       ARG  64   7.155 -10.387  -0.001
  277   1HD   ARG  64          HD2       ARG  64   9.570 -11.032   1.660
  278   2HD   ARG  64          HD3       ARG  64   7.954 -10.577   2.196
  279    HE   ARG  64           HE       ARG  64   8.174 -13.096   0.752
  280   1HH1  ARG  64          HH1       ARG  64   7.820 -11.474   3.834
  281   2HH1  ARG  64          HH1       ARG  64   7.487 -12.938   4.703
  282   1HH2  ARG  64          HH2       ARG  64   7.721 -15.011   1.881
  283   2HH2  ARG  64          HH2       ARG  64   7.421 -14.951   3.598
  284    H    HIS  65           HN       HIS  65   8.176  -8.813  -3.547
  285    HA   HIS  65           HA       HIS  65   6.573  -7.277  -4.025
  286   1HB   HIS  65          HB2       HIS  65   4.754  -9.591  -3.390
  287   2HB   HIS  65          HB3       HIS  65   4.111  -7.981  -3.694
  288    HD1  HIS  65           HD1      HIS  65   2.929  -8.840  -5.839
  289    HD2  HIS  65           HD2      HIS  65   7.064  -9.156  -5.913
  290    HE1  HIS  65           HE1      HIS  65   3.524  -9.294  -8.220
  291    HE2  HIS  65           HE2      HIS  65   6.037  -9.370  -8.276
  292    H    GLY  66           HN       GLY  66   5.631  -5.600  -2.980
  293   1HA   GLY  66          HA1       GLY  66   5.887  -5.527  -0.128
  294   2HA   GLY  66          HA2       GLY  66   5.252  -4.247  -1.155
  295    H    PHE  67           HN       PHE  67   4.451  -6.315   1.241
  296    HA   PHE  67           HA       PHE  67   1.729  -6.810   0.269
  297   1HB   PHE  67          HB2       PHE  67   3.177  -8.666   1.176
  298   2HB   PHE  67          HB3       PHE  67   3.066  -7.893   2.742
  299    HD1  PHE  67           HD1      PHE  67   0.640  -8.805   0.051
  300    HD2  PHE  67           HD2      PHE  67   1.644  -8.980   4.189
  301    HE1  PHE  67           HE1      PHE  67  -1.451 -10.013   0.507
  302    HE2  PHE  67           HE2      PHE  67  -0.443 -10.186   4.643
  303    HZ   PHE  67           HZ       PHE  67  -1.940 -10.811   2.778
  304    H    LEU  68           HN       LEU  68   0.635  -4.969   0.572
  305    HA   LEU  68           HA       LEU  68   0.778  -3.454   3.042
  306   1HB   LEU  68          HB2       LEU  68   0.192  -2.845   0.395
  307   2HB   LEU  68          HB3       LEU  68  -1.362  -2.759   1.194
  308    HG   LEU  68           HG       LEU  68   1.092  -1.137   1.814
  309   1HD1  LEU  68          HD11      LEU  68  -1.681  -0.384   0.897
  310   2HD1  LEU  68          HD12      LEU  68  -0.358   0.734   1.227
  311   3HD1  LEU  68          HD13      LEU  68  -0.232  -0.412  -0.108
  312   1HD2  LEU  68          HD21      LEU  68  -0.230  -0.063   3.562
  313   2HD2  LEU  68          HD22      LEU  68  -1.539  -1.214   3.287
  314   3HD2  LEU  68          HD23      LEU  68   0.016  -1.776   3.905
  315    HA   PRO  69           HA       PRO  69  -2.750  -5.752   4.759
  316   1HB   PRO  69          HB2       PRO  69  -2.326  -3.856   6.976
  317   2HB   PRO  69          HB3       PRO  69  -2.333  -5.622   6.998
  318   1HG   PRO  69          HG2       PRO  69  -0.065  -4.228   7.302
  319   2HG   PRO  69          HG3       PRO  69  -0.097  -5.768   6.422
  320   1HD   PRO  69          HD2       PRO  69  -0.053  -2.969   5.343
  321   2HD   PRO  69          HD3       PRO  69   0.849  -4.401   4.797
  322    H    LEU  70           HN       LEU  70  -4.867  -5.247   4.799
  323    HA   LEU  70           HA       LEU  70  -5.818  -2.947   3.537
  324   1HB   LEU  70          HB2       LEU  70  -7.154  -4.851   3.421
  325   2HB   LEU  70          HB3       LEU  70  -7.100  -5.119   5.148
  326    HG   LEU  70           HG       LEU  70  -8.570  -3.162   5.477
  327   1HD1  LEU  70          HD11      LEU  70  -7.967  -1.886   3.503
  328   2HD1  LEU  70          HD12      LEU  70  -8.674  -3.126   2.464
  329   3HD1  LEU  70          HD13      LEU  70  -9.706  -2.182   3.541
  330   1HD2  LEU  70          HD21      LEU  70  -9.601  -5.261   3.577
  331   2HD2  LEU  70          HD22      LEU  70  -9.509  -5.394   5.332
  332   3HD2  LEU  70          HD23      LEU  70 -10.598  -4.219   4.593
  333    H    LYS  71           HN       LYS  71  -5.443  -3.662   6.946
  334    HA   LYS  71           HA       LYS  71  -6.988  -1.492   7.898
  335   1HB   LYS  71          HB2       LYS  71  -5.619  -1.903  10.039
  336   2HB   LYS  71          HB3       LYS  71  -6.665  -3.190   9.457
  337   1HG   LYS  71          HG2       LYS  71  -4.733  -4.303   8.455
  338   2HG   LYS  71          HG3       LYS  71  -3.686  -3.011   9.044
  339   1HD   LYS  71          HD2       LYS  71  -4.132  -3.589  11.315
  340   2HD   LYS  71          HD3       LYS  71  -5.403  -4.716  10.836
  341   1HE   LYS  71          HE2       LYS  71  -2.506  -5.014  10.063
  342   2HE   LYS  71          HE3       LYS  71  -3.231  -5.789  11.469
  343   1HZ   LYS  71          HZ1       LYS  71  -4.604  -7.104  10.109
  344   2HZ   LYS  71          HZ2       LYS  71  -3.077  -7.165   9.379
  345   3HZ   LYS  71          HZ3       LYS  71  -4.288  -6.183   8.726
  346    H    GLU  72           HN       GLU  72  -4.043  -1.494   6.312
  347    HA   GLU  72           HA       GLU  72  -3.116   0.982   7.570
  348   1HB   GLU  72          HB2       GLU  72  -1.886  -0.514   5.248
  349   2HB   GLU  72          HB3       GLU  72  -1.133   0.746   6.220
  350   1HG   GLU  72          HG2       GLU  72  -1.975  -1.917   7.324
  351   2HG   GLU  72          HG3       GLU  72  -0.372  -1.593   6.670
  352    H    ILE  73           HN       ILE  73  -4.861  -0.174   4.845
  353    HA   ILE  73           HA       ILE  73  -3.990   1.388   2.765
  354    HB   ILE  73           HB       ILE  73  -6.700   0.198   3.274
  355   1HG1  ILE  73          HG12      ILE  73  -4.396  -0.506   1.450
  356   2HG1  ILE  73          HG13      ILE  73  -4.884  -1.375   2.903
  357   1HG2  ILE  73          HG21      ILE  73  -7.259   0.636   0.936
  358   2HG2  ILE  73          HG22      ILE  73  -7.022   2.142   1.823
  359   3HG2  ILE  73          HG23      ILE  73  -5.761   1.546   0.744
  360   1HD1  ILE  73          HD11      ILE  73  -6.494  -1.091   0.380
  361   2HD1  ILE  73          HD12      ILE  73  -5.610  -2.526   0.900
  362   3HD1  ILE  73          HD13      ILE  73  -6.995  -1.959   1.829
  363    H    ALA  74           HN       ALA  74  -4.302   3.304   1.970
  364    HA   ALA  74           HA       ALA  74  -5.535   5.320   3.653
  365   1HB   ALA  74          HB1       ALA  74  -3.859   5.588   1.162
  366   2HB   ALA  74          HB2       ALA  74  -4.353   6.901   2.232
  367   3HB   ALA  74          HB3       ALA  74  -3.257   5.650   2.820
  368    H    ARG  75           HN       ARG  75  -7.018   6.805   2.933
  369    HA   ARG  75           HA       ARG  75  -9.188   5.848   1.468
  370   1HB   ARG  75          HB2       ARG  75  -9.210   7.627   3.222
  371   2HB   ARG  75          HB3       ARG  75  -8.561   8.744   2.029
  372   1HG   ARG  75          HG2       ARG  75 -10.545   8.480   0.659
  373   2HG   ARG  75          HG3       ARG  75 -11.185   7.281   1.785
  374   1HD   ARG  75          HD2       ARG  75 -12.218   9.451   2.154
  375   2HD   ARG  75          HD3       ARG  75 -11.254   8.969   3.548
  376    HE   ARG  75           HE       ARG  75  -9.485  10.478   2.500
  377   1HH1  ARG  75          HH1       ARG  75 -12.929  11.008   2.185
  378   2HH1  ARG  75          HH1       ARG  75 -12.783  12.733   2.010
  379   1HH2  ARG  75          HH2       ARG  75  -9.274  12.742   2.320
  380   2HH2  ARG  75          HH2       ARG  75 -10.694  13.725   2.076
  381    H    GLU  76           HN       GLU  76  -6.296   7.186   0.247
  382    HA   GLU  76           HA       GLU  76  -7.087   8.624  -1.986
  383   1HB   GLU  76          HB2       GLU  76  -4.737   8.244  -1.104
  384   2HB   GLU  76          HB3       GLU  76  -4.767   6.696  -1.941
  385   1HG   GLU  76          HG2       GLU  76  -3.614   8.286  -3.297
  386   2HG   GLU  76          HG3       GLU  76  -5.155   7.902  -4.066
  387    H    TYR  77           HN       TYR  77  -6.993   5.132  -1.534
  388    HA   TYR  77           HA       TYR  77  -7.349   4.781  -4.413
  389   1HB   TYR  77          HB2       TYR  77  -6.437   2.802  -2.329
  390   2HB   TYR  77          HB3       TYR  77  -6.569   2.476  -4.064
  391    HD1  TYR  77           HD1      TYR  77  -5.483   4.667  -5.451
  392    HD2  TYR  77           HD2      TYR  77  -4.276   3.111  -1.683
  393    HE1  TYR  77           HE1      TYR  77  -3.206   5.524  -5.823
  394    HE2  TYR  77           HE2      TYR  77  -2.008   3.970  -2.039
  395    HH   TYR  77           HH       TYR  77  -0.560   4.609  -3.861
  396    H    PHE  78           HN       PHE  78  -8.980   4.072  -1.377
  397    HA   PHE  78           HA       PHE  78 -11.294   3.443  -3.054
  398   1HB   PHE  78          HB2       PHE  78 -12.568   3.123  -0.955
  399   2HB   PHE  78          HB3       PHE  78 -11.191   2.048  -1.068
  400    HD1  PHE  78           HD1      PHE  78  -9.068   2.753   0.203
  401    HD2  PHE  78           HD2      PHE  78 -12.927   4.368   0.967
  402    HE1  PHE  78           HE1      PHE  78  -8.313   3.499   2.421
  403    HE2  PHE  78           HE2      PHE  78 -12.180   5.112   3.186
  404    HZ   PHE  78           HZ       PHE  78  -9.976   4.561   3.989
  405    HA   PRO  79           HA       PRO  79 -10.556   7.689  -3.736
  406   1HB   PRO  79          HB2       PRO  79 -13.139   8.201  -4.784
  407   2HB   PRO  79          HB3       PRO  79 -11.667   7.828  -5.684
  408   1HG   PRO  79          HG2       PRO  79 -13.860   6.029  -4.799
  409   2HG   PRO  79          HG3       PRO  79 -12.880   5.959  -6.278
  410   1HD   PRO  79          HD2       PRO  79 -12.428   4.235  -4.314
  411   2HD   PRO  79          HD3       PRO  79 -11.053   5.000  -5.148
  412    H    ALA  80           HN       ALA  80 -10.845   9.592  -2.824
  413    HA   ALA  80           HA       ALA  80 -11.949   9.774  -0.283
  414   1HB   ALA  80          HB1       ALA  80 -10.116  11.143  -1.109
  415   2HB   ALA  80          HB2       ALA  80 -11.225  11.995  -2.182
  416   3HB   ALA  80          HB3       ALA  80 -11.404  12.141  -0.434
  417    H    ASN  81           HN       ASN  81 -13.589   9.863  -3.208
  418    HA   ASN  81           HA       ASN  81 -15.751  11.600  -2.393
  419   1HB   ASN  81          HB2       ASN  81 -15.149  11.377  -4.769
  420   2HB   ASN  81          HB3       ASN  81 -15.501   9.656  -4.705
  421   1HD2  ASN  81          HD21      ASN  81 -16.822  12.849  -4.847
  422   2HD2  ASN  81          HD22      ASN  81 -18.463  12.376  -5.156
  423    H    TYR  82           HN       TYR  82 -14.828   8.330  -2.097
  424    HA   TYR  82           HA       TYR  82 -17.423   7.214  -1.566
  425   1HB   TYR  82          HB2       TYR  82 -15.622   5.846  -2.507
  426   2HB   TYR  82          HB3       TYR  82 -14.606   6.185  -1.115
  427    HD1  TYR  82           HD1      TYR  82 -17.722   4.472  -2.174
  428    HD2  TYR  82           HD2      TYR  82 -14.695   4.805   0.797
  429    HE1  TYR  82           HE1      TYR  82 -18.609   2.471  -1.058
  430    HE2  TYR  82           HE2      TYR  82 -15.569   2.796   1.919
  431    HH   TYR  82           HH       TYR  82 -17.792   1.589   2.061
  432    H    SER  83           HN       SER  83 -18.441   7.157   0.355
  433    HA   SER  83           HA       SER  83 -17.451   8.636   2.555
  434   1HB   SER  83          HB2       SER  83 -19.770   6.694   2.422
  435   2HB   SER  83          HB3       SER  83 -19.479   7.862   3.712
  436    HG   SER  83           HG       SER  83 -21.005   8.554   2.065
  437    H    ALA  84           HN       ALA  84 -15.644   7.891   3.470
  438    HA   ALA  84           HA       ALA  84 -15.229   5.082   3.980
  439   1HB   ALA  84          HB1       ALA  84 -13.062   5.762   4.831
  440   2HB   ALA  84          HB2       ALA  84 -13.374   6.538   3.279
  441   3HB   ALA  84          HB3       ALA  84 -13.548   7.456   4.775
  442    H    HIS  85           HN       HIS  85 -16.486   4.291   5.541
  443    HA   HIS  85           HA       HIS  85 -16.224   5.508   8.196
  444   1HB   HIS  85          HB2       HIS  85 -18.584   4.722   8.674
  445   2HB   HIS  85          HB3       HIS  85 -18.448   6.095   7.585
  446    HD1  HIS  85           HD1      HIS  85 -19.208   2.385   7.552
  447    HD2  HIS  85           HD2      HIS  85 -19.562   5.739   5.112
  448    HE1  HIS  85           HE1      HIS  85 -20.611   1.660   5.596
  449    HE2  HIS  85           HE2      HIS  85 -20.973   3.754   4.239
  450    H    GLY  86           HN       GLY  86 -15.623   4.140   9.743
  451   1HA   GLY  86          HA1       GLY  86 -15.341   2.122  10.855
  452   2HA   GLY  86          HA2       GLY  86 -16.193   1.309   9.549
  453    H    ARG  87           HN       ARG  87 -15.055   0.324   7.960
  454    HA   ARG  87           HA       ARG  87 -12.135   0.686   7.910
  455   1HB   ARG  87          HB2       ARG  87 -13.508  -2.013   7.945
  456   2HB   ARG  87          HB3       ARG  87 -11.778  -1.723   7.868
  457   1HG   ARG  87          HG2       ARG  87 -13.536  -0.973  10.191
  458   2HG   ARG  87          HG3       ARG  87 -12.568  -2.444  10.090
  459   1HD   ARG  87          HD2       ARG  87 -10.539  -1.070   9.887
  460   2HD   ARG  87          HD3       ARG  87 -11.523   0.385  10.039
  461    HE   ARG  87           HE       ARG  87 -12.181  -0.950  12.265
  462   1HH1  ARG  87          HH1       ARG  87  -9.070  -0.116  10.865
  463   2HH1  ARG  87          HH1       ARG  87  -8.241  -0.161  12.393
  464   1HH2  ARG  87          HH2       ARG  87 -11.081  -0.977  14.269
  465   2HH2  ARG  87          HH2       ARG  87  -9.372  -0.638  14.317
  466    HA   PRO  88           HA       PRO  88 -12.931   0.453   3.452
  467   1HB   PRO  88          HB2       PRO  88 -10.222  -0.061   2.908
  468   2HB   PRO  88          HB3       PRO  88 -11.020   1.511   2.841
  469   1HG   PRO  88          HG2       PRO  88  -9.270   0.366   4.924
  470   2HG   PRO  88          HG3       PRO  88  -9.555   2.066   4.497
  471   1HD   PRO  88          HD2       PRO  88 -10.578   0.877   6.737
  472   2HD   PRO  88          HD3       PRO  88 -11.346   2.244   5.903
  473    H    ASN  89           HN       ASN  89 -12.794  -1.253   1.917
  474    HA   ASN  89           HA       ASN  89 -12.195  -3.892   3.087
  475   1HB   ASN  89          HB2       ASN  89 -14.578  -3.625   2.862
  476   2HB   ASN  89          HB3       ASN  89 -14.412  -3.035   1.214
  477   1HD2  ASN  89          HD21      ASN  89 -14.337  -4.442  -0.426
  478   2HD2  ASN  89          HD22      ASN  89 -14.456  -6.157  -0.247
  479    H    ILE  90           HN       ILE  90 -10.310  -4.547   2.198
  480    HA   ILE  90           HA       ILE  90  -9.082  -3.138   0.160
  481    HB   ILE  90           HB       ILE  90  -7.822  -4.369   1.842
  482   1HG1  ILE  90          HG12      ILE  90  -7.067  -5.377  -0.887
  483   2HG1  ILE  90          HG13      ILE  90  -6.888  -3.690  -0.415
  484   1HG2  ILE  90          HG21      ILE  90  -9.148  -6.441   1.904
  485   2HG2  ILE  90          HG22      ILE  90  -8.527  -6.872   0.309
  486   3HG2  ILE  90          HG23      ILE  90  -7.425  -6.757   1.682
  487   1HD1  ILE  90          HD11      ILE  90  -5.571  -6.056   0.887
  488   2HD1  ILE  90          HD12      ILE  90  -4.803  -4.883  -0.184
  489   3HD1  ILE  90          HD13      ILE  90  -5.400  -4.376   1.397
  490    H    LYS  91           HN       LYS  91 -10.551  -6.364  -0.082
  491    HA   LYS  91           HA       LYS  91  -9.998  -6.877  -2.741
  492   1HB   LYS  91          HB2       LYS  91 -12.176  -8.234  -2.632
  493   2HB   LYS  91          HB3       LYS  91 -10.898  -8.637  -1.495
  494   1HG   LYS  91          HG2       LYS  91 -12.056  -7.201   0.190
  495   2HG   LYS  91          HG3       LYS  91 -13.390  -7.045  -0.951
  496   1HD   LYS  91          HD2       LYS  91 -12.348  -9.668   0.110
  497   2HD   LYS  91          HD3       LYS  91 -13.733  -8.800   0.782
  498   1HE   LYS  91          HE2       LYS  91 -14.752  -8.898  -1.534
  499   2HE   LYS  91          HE3       LYS  91 -13.460 -10.021  -1.958
  500   1HZ   LYS  91          HZ1       LYS  91 -15.562 -10.397   0.103
  501   2HZ   LYS  91          HZ2       LYS  91 -14.228 -11.428  -0.070
  502   3HZ   LYS  91          HZ3       LYS  91 -15.356 -11.283  -1.328
  503    H    ASP  92           HN       ASP  92 -12.056  -4.419  -1.534
  504    HA   ASP  92           HA       ASP  92 -13.230  -4.053  -4.220
  505   1HB   ASP  92          HB2       ASP  92 -14.906  -4.568  -2.463
  506   2HB   ASP  92          HB3       ASP  92 -14.372  -3.158  -1.559
  507    H    VAL  93           HN       VAL  93 -10.823  -2.989  -2.377
  508    HA   VAL  93           HA       VAL  93 -11.276  -0.115  -2.859
  509    HB   VAL  93           HB       VAL  93  -9.481  -1.545  -0.894
  510   1HG1  VAL  93          HG11      VAL  93  -8.670   0.649  -0.185
  511   2HG1  VAL  93          HG12      VAL  93  -8.229   0.309  -1.858
  512   3HG1  VAL  93          HG13      VAL  93  -9.566   1.404  -1.504
  513   1HG2  VAL  93          HG21      VAL  93 -11.814   0.331  -0.601
  514   2HG2  VAL  93          HG22      VAL  93 -11.698  -1.344  -0.068
  515   3HG2  VAL  93          HG23      VAL  93 -10.740  -0.098   0.732
  516    H    LEU  94           HN       LEU  94  -8.801  -2.635  -2.932
  517    HA   LEU  94           HA       LEU  94  -7.327  -1.043  -4.898
  518   1HB   LEU  94          HB2       LEU  94  -6.464  -3.533  -3.422
  519   2HB   LEU  94          HB3       LEU  94  -5.466  -2.569  -4.487
  520    HG   LEU  94           HG       LEU  94  -6.566  -1.676  -1.820
  521   1HD1  LEU  94          HD11      LEU  94  -3.776  -2.397  -2.705
  522   2HD1  LEU  94          HD12      LEU  94  -4.222  -1.757  -1.123
  523   3HD1  LEU  94          HD13      LEU  94  -4.805  -3.343  -1.630
  524   1HD2  LEU  94          HD21      LEU  94  -5.148   0.290  -2.131
  525   2HD2  LEU  94          HD22      LEU  94  -4.714  -0.273  -3.745
  526   3HD2  LEU  94          HD23      LEU  94  -6.379   0.184  -3.391
  527    H    ARG  95           HN       ARG  95  -6.692  -1.985  -6.822
  528    HA   ARG  95           HA       ARG  95  -7.608  -4.637  -7.495
  529   1HB   ARG  95          HB2       ARG  95  -8.648  -3.845  -9.626
  530   2HB   ARG  95          HB3       ARG  95  -9.536  -3.407  -8.177
  531   1HG   ARG  95          HG2       ARG  95  -7.614  -1.457  -9.354
  532   2HG   ARG  95          HG3       ARG  95  -9.185  -1.690 -10.116
  533   1HD   ARG  95          HD2       ARG  95 -10.191  -1.277  -7.817
  534   2HD   ARG  95          HD3       ARG  95  -8.586  -0.730  -7.326
  535    HE   ARG  95           HE       ARG  95  -9.564   0.543  -9.713
  536   1HH1  ARG  95          HH1       ARG  95  -9.640   0.674  -6.203
  537   2HH1  ARG  95          HH1       ARG  95  -9.925   2.382  -6.149
  538   1HH2  ARG  95          HH2       ARG  95  -9.960   2.777  -9.644
  539   2HH2  ARG  95          HH2       ARG  95 -10.119   3.584  -8.109
  540    H    GLU  96           HN       GLU  96  -6.531  -5.507  -9.305
  541    HA   GLU  96           HA       GLU  96  -3.818  -4.949  -9.335
  542   1HB   GLU  96          HB2       GLU  96  -5.358  -6.406 -11.484
  543   2HB   GLU  96          HB3       GLU  96  -3.645  -6.573 -11.115
  544   1HG   GLU  96          HG2       GLU  96  -4.124  -7.601  -9.016
  545   2HG   GLU  96          HG3       GLU  96  -5.846  -7.264  -9.186
  546    H    GLY  97           HN       GLY  97  -2.624  -3.512 -10.336
  547   1HA   GLY  97          HA1       GLY  97  -2.000  -2.314 -12.339
  548   2HA   GLY  97          HA2       GLY  97  -3.706  -2.178 -12.733
  549    H    GLN  98           HN       GLN  98  -4.155  -1.568  -9.751
  550    HA   GLN  98           HA       GLN  98  -3.926   1.286 -10.016
  551   1HB   GLN  98          HB2       GLN  98  -5.799   0.056  -8.793
  552   2HB   GLN  98          HB3       GLN  98  -4.643  -0.199  -7.493
  553   1HG   GLN  98          HG2       GLN  98  -4.349   2.205  -7.254
  554   2HG   GLN  98          HG3       GLN  98  -5.487   2.483  -8.569
  555   1HE2  GLN  98          HE21      GLN  98  -5.891   0.019  -6.115
  556   2HE2  GLN  98          HE22      GLN  98  -7.253   0.748  -5.343
  557    H    GLU  99           HN       GLU  99  -2.438   2.591  -9.205
  558    HA   GLU  99           HA       GLU  99  -0.034   1.478  -8.077
  559   1HB   GLU  99          HB2       GLU  99   0.766   3.823  -8.144
  560   2HB   GLU  99          HB3       GLU  99   0.167   3.255  -9.704
  561   1HG   GLU  99          HG2       GLU  99  -1.940   4.414  -9.316
  562   2HG   GLU  99          HG3       GLU  99  -1.349   4.973  -7.746
  563    H    VAL 100           HN       VAL 100   0.904   2.153  -6.088
  564    HA   VAL 100           HA       VAL 100  -0.817   3.697  -4.287
  565    HB   VAL 100           HB       VAL 100  -0.123   2.340  -2.373
  566   1HG1  VAL 100          HG11      VAL 100  -1.534   0.373  -2.816
  567   2HG1  VAL 100          HG12      VAL 100  -2.268   1.889  -3.347
  568   3HG1  VAL 100          HG13      VAL 100  -1.540   0.797  -4.528
  569   1HG2  VAL 100          HG21      VAL 100   0.913   0.148  -2.695
  570   2HG2  VAL 100          HG22      VAL 100   1.062   0.476  -4.421
  571   3HG2  VAL 100          HG23      VAL 100   1.960   1.455  -3.257
  572    H    ILE 101           HN       ILE 101   0.263   5.125  -2.971
  573    HA   ILE 101           HA       ILE 101   3.160   5.323  -3.281
  574    HB   ILE 101           HB       ILE 101   1.419   7.086  -1.561
  575   1HG1  ILE 101          HG12      ILE 101   0.420   7.093  -3.778
  576   2HG1  ILE 101          HG13      ILE 101   1.237   8.621  -3.490
  577   1HG2  ILE 101          HG21      ILE 101   3.801   7.300  -1.216
  578   2HG2  ILE 101          HG22      ILE 101   4.057   7.527  -2.946
  579   3HG2  ILE 101          HG23      ILE 101   3.180   8.744  -2.018
  580   1HD1  ILE 101          HD11      ILE 101   3.125   7.867  -4.832
  581   2HD1  ILE 101          HD12      ILE 101   2.306   6.331  -5.117
  582   3HD1  ILE 101          HD13      ILE 101   1.619   7.828  -5.748
  583    H    VAL 102           HN       VAL 102   4.323   4.071  -1.972
  584    HA   VAL 102           HA       VAL 102   3.516   3.717   0.828
  585    HB   VAL 102           HB       VAL 102   4.024   1.227   0.554
  586   1HG1  VAL 102          HG11      VAL 102   1.530   2.418  -0.644
  587   2HG1  VAL 102          HG12      VAL 102   1.700   0.741  -0.125
  588   3HG1  VAL 102          HG13      VAL 102   1.817   2.046   1.058
  589   1HG2  VAL 102          HG21      VAL 102   3.499   1.954  -2.325
  590   2HG2  VAL 102          HG22      VAL 102   4.975   1.256  -1.658
  591   3HG2  VAL 102          HG23      VAL 102   3.488   0.308  -1.689
  592    H    GLN 103           HN       GLN 103   5.199   3.836   2.112
  593    HA   GLN 103           HA       GLN 103   7.871   3.544   0.992
  594   1HB   GLN 103          HB2       GLN 103   8.632   4.383   3.218
  595   2HB   GLN 103          HB3       GLN 103   7.582   5.507   2.366
  596   1HG   GLN 103          HG2       GLN 103   5.712   4.871   3.748
  597   2HG   GLN 103          HG3       GLN 103   6.685   3.637   4.544
  598   1HE2  GLN 103          HE21      GLN 103   8.184   4.233   6.074
  599   2HE2  GLN 103          HE22      GLN 103   8.218   5.812   6.776
  600    H    ILE 104           HN       ILE 104   9.208   1.901   1.517
  601    HA   ILE 104           HA       ILE 104   8.044  -0.398   2.816
  602    HB   ILE 104           HB       ILE 104  10.796   0.052   1.641
  603   1HG1  ILE 104          HG12      ILE 104   8.966   0.023   0.015
  604   2HG1  ILE 104          HG13      ILE 104   9.964  -1.420  -0.147
  605   1HG2  ILE 104          HG21      ILE 104   9.582  -2.523   2.645
  606   2HG2  ILE 104          HG22      ILE 104  11.141  -2.352   1.840
  607   3HG2  ILE 104          HG23      ILE 104  10.888  -1.630   3.430
  608   1HD1  ILE 104          HD11      ILE 104   8.300  -2.695   1.123
  609   2HD1  ILE 104          HD12      ILE 104   7.297  -1.251   1.246
  610   3HD1  ILE 104          HD13      ILE 104   7.613  -1.976  -0.333
  611    H    ASP 105           HN       ASP 105   7.735   0.011   4.886
  612    HA   ASP 105           HA       ASP 105   9.601   1.363   6.567
  613   1HB   ASP 105          HB2       ASP 105   7.182   1.400   7.010
  614   2HB   ASP 105          HB3       ASP 105   7.192  -0.342   7.257
  615    H    LYS 106           HN       LYS 106   9.001  -1.886   5.623
  616    HA   LYS 106           HA       LYS 106  11.096  -2.837   7.441
  617   1HB   LYS 106          HB2       LYS 106   8.651  -4.447   6.702
  618   2HB   LYS 106          HB3       LYS 106   9.835  -4.787   7.963
  619   1HG   LYS 106          HG2       LYS 106   9.056  -2.952   9.285
  620   2HG   LYS 106          HG3       LYS 106   8.009  -2.393   7.982
  621   1HD   LYS 106          HD2       LYS 106   6.898  -4.721   8.204
  622   2HD   LYS 106          HD3       LYS 106   7.698  -4.767   9.778
  623   1HE   LYS 106          HE2       LYS 106   5.708  -2.738   8.788
  624   2HE   LYS 106          HE3       LYS 106   5.489  -3.902  10.091
  625   1HZ   LYS 106          HZ1       LYS 106   7.344  -1.574  10.089
  626   2HZ   LYS 106          HZ2       LYS 106   7.265  -2.745  11.317
  627   3HZ   LYS 106          HZ3       LYS 106   5.926  -1.749  11.009
  628    H    GLU 107           HN       GLU 107  12.681  -3.829   6.398
  629    HA   GLU 107           HA       GLU 107  12.550  -4.122   3.559
  630   1HB   GLU 107          HB2       GLU 107  14.720  -4.638   5.587
  631   2HB   GLU 107          HB3       GLU 107  14.931  -4.781   3.857
  632   1HG   GLU 107          HG2       GLU 107  14.359  -2.401   3.607
  633   2HG   GLU 107          HG3       GLU 107  14.241  -2.278   5.363
  634    H    GLU 108           HN       GLU 108  13.292  -6.122   2.491
  635    HA   GLU 108           HA       GLU 108  11.629  -8.248   3.398
  636   1HB   GLU 108          HB2       GLU 108  12.171  -7.571   0.973
  637   2HB   GLU 108          HB3       GLU 108  13.645  -8.511   1.188
  638   1HG   GLU 108          HG2       GLU 108  12.386 -10.496   1.635
  639   2HG   GLU 108          HG3       GLU 108  10.874  -9.592   1.620
  640    H    ARG 109           HN       ARG 109  12.363  -8.944   5.318
  641    HA   ARG 109           HA       ARG 109  15.032 -10.171   5.426
  642   1HB   ARG 109          HB2       ARG 109  14.859  -9.907   7.852
  643   2HB   ARG 109          HB3       ARG 109  14.627  -8.364   7.043
  644   1HG   ARG 109          HG2       ARG 109  12.148  -8.793   7.241
  645   2HG   ARG 109          HG3       ARG 109  12.559 -10.122   8.325
  646   1HD   ARG 109          HD2       ARG 109  13.198  -7.200   8.701
  647   2HD   ARG 109          HD3       ARG 109  12.050  -8.166   9.628
  648    HE   ARG 109           HE       ARG 109  14.518  -9.410   9.879
  649   1HH1  ARG 109          HH1       ARG 109  13.075  -6.335  10.706
  650   2HH1  ARG 109          HH1       ARG 109  14.135  -6.047  12.051
  651   1HH2  ARG 109          HH2       ARG 109  15.909  -9.063  11.643
  652   2HH2  ARG 109          HH2       ARG 109  15.746  -7.623  12.599
  653    H    GLY 110           HN       GLY 110  12.055 -11.103   4.724
  654   1HA   GLY 110          HA1       GLY 110  11.449 -13.376   4.514
  655   2HA   GLY 110          HA2       GLY 110  12.485 -13.754   5.877
  656    H    ASN 111           HN       ASN 111  11.515 -11.959   7.791
  657    HA   ASN 111           HA       ASN 111   9.410 -13.503   8.837
  658   1HB   ASN 111          HB2       ASN 111  10.271 -10.712   9.636
  659   2HB   ASN 111          HB3       ASN 111   9.270 -11.789  10.602
  660   1HD2  ASN 111          HD21      ASN 111  10.198 -13.480  11.681
  661   2HD2  ASN 111          HD22      ASN 111  11.913 -13.678  11.831
  662    H    LYS 112           HN       LYS 112   9.321 -10.133   7.662
  663    HA   LYS 112           HA       LYS 112   6.584 -10.687   6.770
  664   1HB   LYS 112          HB2       LYS 112   6.572  -8.984   8.535
  665   2HB   LYS 112          HB3       LYS 112   7.741  -8.031   7.632
  666   1HG   LYS 112          HG2       LYS 112   5.496  -7.126   7.420
  667   2HG   LYS 112          HG3       LYS 112   6.118  -7.670   5.864
  668   1HD   LYS 112          HD2       LYS 112   3.864  -8.380   5.964
  669   2HD   LYS 112          HD3       LYS 112   4.843  -9.817   6.238
  670   1HE   LYS 112          HE2       LYS 112   3.671  -8.182   8.479
  671   2HE   LYS 112          HE3       LYS 112   2.814  -9.525   7.729
  672   1HZ   LYS 112          HZ1       LYS 112   4.767 -10.935   8.330
  673   2HZ   LYS 112          HZ2       LYS 112   3.884 -10.349   9.653
  674   3HZ   LYS 112          HZ3       LYS 112   5.362  -9.632   9.244
  675    H    GLY 113           HN       GLY 113   9.623  -9.091   6.167
  676   1HA   GLY 113          HA1       GLY 113  10.793  -9.123   4.158
  677   2HA   GLY 113          HA2       GLY 113   9.347  -9.736   3.360
  678    H    ALA 114           HN       ALA 114   8.930  -8.351   1.804
  679    HA   ALA 114           HA       ALA 114   9.438  -5.555   2.015
  680   1HB   ALA 114          HB1       ALA 114   8.417  -5.415  -0.203
  681   2HB   ALA 114          HB2       ALA 114   9.604  -6.717  -0.124
  682   3HB   ALA 114          HB3       ALA 114   7.881  -7.094  -0.070
  683    H    ALA 115           HN       ALA 115   8.276  -4.606   3.608
  684    HA   ALA 115           HA       ALA 115   5.372  -5.020   3.641
  685   1HB   ALA 115          HB1       ALA 115   6.531  -5.441   5.750
  686   2HB   ALA 115          HB2       ALA 115   7.139  -3.785   5.740
  687   3HB   ALA 115          HB3       ALA 115   5.408  -4.086   5.881
  688    H    LEU 116           HN       LEU 116   4.102  -3.522   2.851
  689    HA   LEU 116           HA       LEU 116   5.130  -0.838   2.354
  690   1HB   LEU 116          HB2       LEU 116   2.347  -1.841   1.806
  691   2HB   LEU 116          HB3       LEU 116   3.139  -0.439   1.118
  692    HG   LEU 116           HG       LEU 116   3.897  -3.300   0.533
  693   1HD1  LEU 116          HD11      LEU 116   2.347  -1.301  -1.107
  694   2HD1  LEU 116          HD12      LEU 116   2.846  -2.909  -1.628
  695   3HD1  LEU 116          HD13      LEU 116   1.678  -2.732  -0.319
  696   1HD2  LEU 116          HD21      LEU 116   5.775  -1.852   0.260
  697   2HD2  LEU 116          HD22      LEU 116   5.143  -2.246  -1.337
  698   3HD2  LEU 116          HD23      LEU 116   4.805  -0.671  -0.617
  699    H    THR 117           HN       THR 117   4.004   1.025   3.165
  700    HA   THR 117           HA       THR 117   1.858   0.471   5.090
  701    HB   THR 117           HB       THR 117   3.999   1.001   6.311
  702    HG1  THR 117           HG1      THR 117   2.148   1.448   7.443
  703   1HG2  THR 117          HG21      THR 117   4.791   3.306   6.301
  704   2HG2  THR 117          HG22      THR 117   3.592   3.716   5.071
  705   3HG2  THR 117          HG23      THR 117   4.900   2.598   4.690
  706    H    THR 118           HN       THR 118   0.276   2.131   5.180
  707    HA   THR 118           HA       THR 118   0.703   4.339   3.307
  708    HB   THR 118           HB       THR 118  -1.971   4.213   3.234
  709    HG1  THR 118           HG1      THR 118  -2.405   2.359   4.243
  710   1HG2  THR 118          HG21      THR 118  -0.052   2.654   1.510
  711   2HG2  THR 118          HG22      THR 118  -0.515   4.343   1.306
  712   3HG2  THR 118          HG23      THR 118  -1.708   3.066   1.068
  713    H    PHE 119           HN       PHE 119   1.190   4.156   6.152
  714    HA   PHE 119           HA       PHE 119  -0.618   6.107   7.289
  715   1HB   PHE 119          HB2       PHE 119   2.115   5.126   8.152
  716   2HB   PHE 119          HB3       PHE 119   1.213   6.359   9.024
  717    HD1  PHE 119           HD1      PHE 119  -1.512   5.300   8.921
  718    HD2  PHE 119           HD2      PHE 119   2.188   3.303   9.573
  719    HE1  PHE 119           HE1      PHE 119  -2.688   3.543  10.176
  720    HE2  PHE 119           HE2      PHE 119   1.017   1.538  10.826
  721    HZ   PHE 119           HZ       PHE 119  -1.400   1.680  11.184
  722    H    ILE 120           HN       ILE 120  -0.012   6.915   4.867
  723    HA   ILE 120           HA       ILE 120   2.095   8.959   5.085
  724    HB   ILE 120           HB       ILE 120   1.281   7.555   2.526
  725   1HG1  ILE 120          HG12      ILE 120   3.729   6.866   4.157
  726   2HG1  ILE 120          HG13      ILE 120   2.208   6.008   4.362
  727   1HG2  ILE 120          HG21      ILE 120   2.429   9.666   2.208
  728   2HG2  ILE 120          HG22      ILE 120   3.720   9.161   3.297
  729   3HG2  ILE 120          HG23      ILE 120   3.498   8.339   1.752
  730   1HD1  ILE 120          HD11      ILE 120   3.689   4.770   2.912
  731   2HD1  ILE 120          HD12      ILE 120   2.286   5.335   2.005
  732   3HD1  ILE 120          HD13      ILE 120   3.836   6.163   1.836
  733    H    SER 121           HN       SER 121   1.634  10.729   3.334
  734    HA   SER 121           HA       SER 121  -0.996  11.681   4.029
  735   1HB   SER 121          HB2       SER 121   0.175  13.684   2.577
  736   2HB   SER 121          HB3       SER 121   0.346  13.464   4.320
  737    HG   SER 121           HG       SER 121   2.369  13.016   4.018
  738    H    LEU 122           HN       LEU 122  -0.927   9.559   1.998
  739    HA   LEU 122           HA       LEU 122  -2.175  11.106  -0.147
  740   1HB   LEU 122          HB2       LEU 122  -1.599   9.454  -1.783
  741   2HB   LEU 122          HB3       LEU 122  -0.159  10.022  -0.987
  742    HG   LEU 122           HG       LEU 122   0.339   7.822  -1.200
  743   1HD1  LEU 122          HD11      LEU 122  -1.176   7.764   1.387
  744   2HD1  LEU 122          HD12      LEU 122  -0.008   6.556   0.851
  745   3HD1  LEU 122          HD13      LEU 122   0.513   8.214   1.150
  746   1HD2  LEU 122          HD21      LEU 122  -1.255   5.957  -1.099
  747   2HD2  LEU 122          HD22      LEU 122  -2.554   7.123  -0.816
  748   3HD2  LEU 122          HD23      LEU 122  -1.655   7.151  -2.335
  749    H    ALA 123           HN       ALA 123  -4.217  11.138   0.382
  750    HA   ALA 123           HA       ALA 123  -5.760   8.734   0.274
  751   1HB   ALA 123          HB1       ALA 123  -5.011   8.644   2.629
  752   2HB   ALA 123          HB2       ALA 123  -5.758  10.217   2.908
  753   3HB   ALA 123          HB3       ALA 123  -6.759   8.825   2.483
  754    H    GLY 124           HN       GLY 124  -5.619  11.029  -1.252
  755   1HA   GLY 124          HA1       GLY 124  -6.921  12.650  -2.207
  756   2HA   GLY 124          HA2       GLY 124  -8.286  11.882  -1.418
  757    H    SER 125           HN       SER 125  -9.058  14.127  -1.291
  758    HA   SER 125           HA       SER 125  -8.444  15.154   1.347
  759   1HB   SER 125          HB2       SER 125  -8.230  16.918  -1.112
  760   2HB   SER 125          HB3       SER 125  -8.158  17.481   0.558
  761    HG   SER 125           HG       SER 125  -6.405  15.440  -0.100
  Start of MODEL    6
    1   1H    GLY  30           H1       GLY  30  18.567  20.746  -3.045
    2   2H    GLY  30           H2       GLY  30  18.448  21.700  -1.648
    3   3H    GLY  30           H3       GLY  30  18.157  22.386  -3.169
    4   1HA   GLY  30          HA2       GLY  30  16.094  21.979  -1.957
    5   2HA   GLY  30          HA1       GLY  30  16.189  21.078  -3.464
    6    H    SER  31           HN       SER  31  14.424  20.212  -1.653
    7    HA   SER  31           HA       SER  31  15.678  17.721  -0.710
    8   1HB   SER  31          HB2       SER  31  13.462  19.220   0.712
    9   2HB   SER  31          HB3       SER  31  14.222  17.720   1.244
   10    HG   SER  31           HG       SER  31  15.328  19.193   2.348
   11    H    HIS  32           HN       HIS  32  14.893  17.268  -3.016
   12    HA   HIS  32           HA       HIS  32  12.321  15.947  -2.813
   13   1HB   HIS  32          HB2       HIS  32  11.949  18.350  -3.668
   14   2HB   HIS  32          HB3       HIS  32  12.740  17.812  -5.146
   15    HD1  HIS  32           HD1      HIS  32  11.329  16.543  -6.811
   16    HD2  HIS  32           HD2      HIS  32   9.471  16.973  -3.110
   17    HE1  HIS  32           HE1      HIS  32   8.974  15.722  -7.129
   18    HE2  HIS  32           HE2      HIS  32   7.925  15.819  -4.837
   19    H    MET  33           HN       MET  33  14.740  14.773  -2.887
   20    HA   MET  33           HA       MET  33  15.319  14.000  -5.624
   21   1HB   MET  33          HB2       MET  33  16.570  13.195  -2.999
   22   2HB   MET  33          HB3       MET  33  17.065  12.538  -4.552
   23   1HG   MET  33          HG2       MET  33  18.605  14.238  -3.952
   24   2HG   MET  33          HG3       MET  33  17.622  14.848  -5.280
   25   1HE   MET  33          HE1       MET  33  18.604  17.257  -4.704
   26   2HE   MET  33          HE2       MET  33  18.434  18.038  -3.131
   27   3HE   MET  33          HE3       MET  33  19.483  16.632  -3.307
   28    H    LEU  34           HN       LEU  34  14.151  12.604  -2.649
   29    HA   LEU  34           HA       LEU  34  12.910  10.441  -4.209
   30   1HB   LEU  34          HB2       LEU  34  14.236  10.178  -1.512
   31   2HB   LEU  34          HB3       LEU  34  13.273   8.926  -2.273
   32    HG   LEU  34           HG       LEU  34  15.868  10.035  -3.351
   33   1HD1  LEU  34          HD11      LEU  34  16.171   8.658  -1.352
   34   2HD1  LEU  34          HD12      LEU  34  15.240   7.363  -2.104
   35   3HD1  LEU  34          HD13      LEU  34  16.789   7.849  -2.792
   36   1HD2  LEU  34          HD21      LEU  34  14.158   7.760  -4.351
   37   2HD2  LEU  34          HD22      LEU  34  14.315   9.340  -5.119
   38   3HD2  LEU  34          HD23      LEU  34  15.712   8.269  -5.012
   39    H    GLU  35           HN       GLU  35  12.863  11.350  -0.806
   40    HA   GLU  35           HA       GLU  35  10.047  12.086  -1.059
   41   1HB   GLU  35          HB2       GLU  35  10.892   9.630   0.004
   42   2HB   GLU  35          HB3       GLU  35  10.471  10.624   1.394
   43   1HG   GLU  35          HG2       GLU  35   8.710   9.946  -0.949
   44   2HG   GLU  35          HG3       GLU  35   8.552   9.363   0.707
   45    H    GLN  36           HN       GLN  36   9.408  12.602   1.499
   46    HA   GLN  36           HA       GLN  36  11.305  14.750   2.194
   47   1HB   GLN  36          HB2       GLN  36   8.283  14.860   2.237
   48   2HB   GLN  36          HB3       GLN  36   9.383  16.185   2.603
   49   1HG   GLN  36          HG2       GLN  36   9.986  16.474   0.398
   50   2HG   GLN  36          HG3       GLN  36   9.504  14.840  -0.056
   51   1HE2  GLN  36          HE21      GLN  36   7.333  14.386  -0.399
   52   2HE2  GLN  36          HE22      GLN  36   6.168  15.636  -0.686
   53    H    LYS  37           HN       LYS  37  12.195  13.963   4.020
   54    HA   LYS  37           HA       LYS  37  12.454  13.275   6.166
   55   1HB   LYS  37          HB2       LYS  37   9.523  13.917   6.532
   56   2HB   LYS  37          HB3       LYS  37  10.705  13.684   7.809
   57   1HG   LYS  37          HG2       LYS  37  11.918  15.686   6.955
   58   2HG   LYS  37          HG3       LYS  37  10.580  15.949   5.834
   59   1HD   LYS  37          HD2       LYS  37   9.040  16.018   7.796
   60   2HD   LYS  37          HD3       LYS  37  10.451  15.933   8.850
   61   1HE   LYS  37          HE2       LYS  37   9.854  18.221   8.692
   62   2HE   LYS  37          HE3       LYS  37  11.297  18.005   7.702
   63   1HZ   LYS  37          HZ1       LYS  37   9.745  19.341   6.509
   64   2HZ   LYS  37          HZ2       LYS  37   8.493  18.225   6.749
   65   3HZ   LYS  37          HZ3       LYS  37   9.802  17.830   5.747
   66    H    LYS  38           HN       LYS  38  11.377  11.576   3.957
   67    HA   LYS  38           HA       LYS  38  10.484   9.313   5.601
   68   1HB   LYS  38          HB2       LYS  38   8.554  10.242   4.410
   69   2HB   LYS  38          HB3       LYS  38   9.415  10.128   2.886
   70   1HG   LYS  38          HG2       LYS  38   9.379   7.721   2.972
   71   2HG   LYS  38          HG3       LYS  38   8.681   7.758   4.597
   72   1HD   LYS  38          HD2       LYS  38   7.377   8.747   2.059
   73   2HD   LYS  38          HD3       LYS  38   6.957   7.287   2.953
   74   1HE   LYS  38          HE2       LYS  38   6.685  10.124   3.950
   75   2HE   LYS  38          HE3       LYS  38   5.375   9.089   3.401
   76   1HZ   LYS  38          HZ1       LYS  38   7.129   8.425   5.706
   77   2HZ   LYS  38          HZ2       LYS  38   5.702   7.645   5.238
   78   3HZ   LYS  38          HZ3       LYS  38   5.637   9.217   5.855
   79    H    ALA  39           HN       ALA  39  10.953   7.217   4.600
   80    HA   ALA  39           HA       ALA  39  13.463   7.108   3.245
   81   1HB   ALA  39          HB1       ALA  39  11.428   4.922   3.708
   82   2HB   ALA  39          HB2       ALA  39  13.097   4.693   3.188
   83   3HB   ALA  39          HB3       ALA  39  12.756   5.334   4.794
   84    H    ASN  40           HN       ASN  40  13.482   5.554   1.200
   85    HA   ASN  40           HA       ASN  40  12.462   7.039  -0.921
   86   1HB   ASN  40          HB2       ASN  40  14.338   5.365  -1.001
   87   2HB   ASN  40          HB3       ASN  40  13.105   4.107  -0.986
   88   1HD2  ASN  40          HD21      ASN  40  13.812   3.369  -3.022
   89   2HD2  ASN  40          HD22      ASN  40  13.430   4.227  -4.476
   90    H    ILE  41           HN       ILE  41  10.513   7.206  -1.773
   91    HA   ILE  41           HA       ILE  41   8.416   5.362  -0.911
   92    HB   ILE  41           HB       ILE  41   8.230   7.900  -0.717
   93   1HG1  ILE  41          HG12      ILE  41   5.819   7.870  -1.627
   94   2HG1  ILE  41          HG13      ILE  41   6.149   6.193  -2.055
   95   1HG2  ILE  41          HG21      ILE  41   7.812   7.665  -3.692
   96   2HG2  ILE  41          HG22      ILE  41   7.434   9.090  -2.724
   97   3HG2  ILE  41          HG23      ILE  41   9.103   8.540  -2.868
   98   1HD1  ILE  41          HD11      ILE  41   6.314   7.374   0.707
   99   2HD1  ILE  41          HD12      ILE  41   5.016   6.357   0.080
  100   3HD1  ILE  41          HD13      ILE  41   6.638   5.693   0.277
  101    H    TYR  42           HN       TYR  42   7.116   4.212  -2.409
  102    HA   TYR  42           HA       TYR  42   8.168   4.177  -5.164
  103   1HB   TYR  42          HB2       TYR  42   7.245   1.804  -3.525
  104   2HB   TYR  42          HB3       TYR  42   7.757   1.747  -5.205
  105    HD1  TYR  42           HD1      TYR  42   8.841   1.950  -1.732
  106    HD2  TYR  42           HD2      TYR  42  10.121   1.991  -5.789
  107    HE1  TYR  42           HE1      TYR  42  11.150   1.526  -1.001
  108    HE2  TYR  42           HE2      TYR  42  12.433   1.568  -5.068
  109    HH   TYR  42           HH       TYR  42  13.224   0.613  -1.893
  110    H    LYS  43           HN       LYS  43   6.662   4.383  -6.719
  111    HA   LYS  43           HA       LYS  43   3.859   3.900  -5.994
  112   1HB   LYS  43          HB2       LYS  43   4.263   5.984  -7.230
  113   2HB   LYS  43          HB3       LYS  43   5.032   5.080  -8.532
  114   1HG   LYS  43          HG2       LYS  43   2.863   3.852  -8.826
  115   2HG   LYS  43          HG3       LYS  43   2.143   4.996  -7.696
  116   1HD   LYS  43          HD2       LYS  43   3.505   5.744 -10.278
  117   2HD   LYS  43          HD3       LYS  43   1.762   5.579 -10.065
  118   1HE   LYS  43          HE2       LYS  43   1.866   7.338  -8.313
  119   2HE   LYS  43          HE3       LYS  43   3.576   7.555  -8.685
  120   1HZ   LYS  43          HZ1       LYS  43   2.995   8.202 -10.920
  121   2HZ   LYS  43          HZ2       LYS  43   2.152   9.176  -9.818
  122   3HZ   LYS  43          HZ3       LYS  43   1.351   7.916 -10.620
  123    H    GLY  44           HN       GLY  44   3.446   1.826  -6.038
  124   1HA   GLY  44          HA1       GLY  44   4.228   0.327  -8.456
  125   2HA   GLY  44          HA2       GLY  44   4.284  -0.395  -6.851
  126    H    LYS  45           HN       LYS  45   2.792  -1.485  -8.928
  127    HA   LYS  45           HA       LYS  45   0.032  -0.736  -8.364
  128   1HB   LYS  45          HB2       LYS  45   1.260  -2.642 -10.354
  129   2HB   LYS  45          HB3       LYS  45  -0.479  -2.517 -10.077
  130   1HG   LYS  45          HG2       LYS  45  -0.570  -0.336 -10.921
  131   2HG   LYS  45          HG3       LYS  45   1.181  -0.132 -10.837
  132   1HD   LYS  45          HD2       LYS  45   1.503  -1.711 -12.621
  133   2HD   LYS  45          HD3       LYS  45  -0.212  -2.127 -12.620
  134   1HE   LYS  45          HE2       LYS  45  -0.807   0.037 -13.427
  135   2HE   LYS  45          HE3       LYS  45   0.838   0.632 -13.200
  136   1HZ   LYS  45          HZ1       LYS  45   0.157  -1.573 -15.065
  137   2HZ   LYS  45          HZ2       LYS  45   1.613  -0.712 -14.958
  138   3HZ   LYS  45          HZ3       LYS  45   0.221   0.056 -15.538
  139    H    ILE  46           HN       ILE  46  -1.496  -2.278  -7.718
  140    HA   ILE  46           HA       ILE  46  -0.558  -4.333  -5.974
  141    HB   ILE  46           HB       ILE  46  -3.265  -3.526  -7.019
  142   1HG1  ILE  46          HG12      ILE  46  -3.759  -3.291  -4.597
  143   2HG1  ILE  46          HG13      ILE  46  -2.115  -3.788  -4.224
  144   1HG2  ILE  46          HG21      ILE  46  -2.599  -5.994  -5.424
  145   2HG2  ILE  46          HG22      ILE  46  -4.223  -5.384  -5.736
  146   3HG2  ILE  46          HG23      ILE  46  -3.219  -5.940  -7.075
  147   1HD1  ILE  46          HD11      ILE  46  -1.255  -1.785  -5.315
  148   2HD1  ILE  46          HD12      ILE  46  -2.895  -1.306  -5.753
  149   3HD1  ILE  46          HD13      ILE  46  -2.417  -1.366  -4.056
  150    H    THR  47           HN       THR  47  -0.197  -6.436  -6.499
  151    HA   THR  47           HA       THR  47  -0.850  -7.227  -9.264
  152    HB   THR  47           HB       THR  47   1.123  -8.635  -9.223
  153    HG1  THR  47           HG1      THR  47   1.448  -9.284  -7.165
  154   1HG2  THR  47          HG21      THR  47   2.823  -6.839  -8.978
  155   2HG2  THR  47          HG22      THR  47   1.585  -5.827  -8.224
  156   3HG2  THR  47          HG23      THR  47   1.411  -6.330  -9.907
  157    H    ARG  48           HN       ARG  48  -1.163  -7.891  -5.944
  158    HA   ARG  48           HA       ARG  48  -2.871 -10.158  -6.562
  159   1HB   ARG  48          HB2       ARG  48  -0.474 -10.929  -5.960
  160   2HB   ARG  48          HB3       ARG  48  -0.861 -10.376  -4.332
  161   1HG   ARG  48          HG2       ARG  48  -2.950 -11.856  -4.527
  162   2HG   ARG  48          HG3       ARG  48  -2.109 -12.615  -5.877
  163   1HD   ARG  48          HD2       ARG  48  -0.155 -12.926  -4.272
  164   2HD   ARG  48          HD3       ARG  48  -1.286 -12.487  -2.986
  165    HE   ARG  48           HE       ARG  48  -2.575 -14.474  -4.317
  166   1HH1  ARG  48          HH1       ARG  48   0.601 -14.164  -2.891
  167   2HH1  ARG  48          HH1       ARG  48   0.750 -15.844  -2.491
  168   1HH2  ARG  48          HH2       ARG  48  -2.419 -16.701  -3.783
  169   2HH2  ARG  48          HH2       ARG  48  -0.985 -17.293  -2.993
  170    H    ILE  49           HN       ILE  49  -4.734  -9.707  -5.606
  171    HA   ILE  49           HA       ILE  49  -4.626  -8.646  -2.863
  172    HB   ILE  49           HB       ILE  49  -6.588  -7.880  -5.031
  173   1HG1  ILE  49          HG12      ILE  49  -4.980  -6.203  -3.124
  174   2HG1  ILE  49          HG13      ILE  49  -4.425  -6.639  -4.743
  175   1HG2  ILE  49          HG21      ILE  49  -7.888  -6.709  -3.331
  176   2HG2  ILE  49          HG22      ILE  49  -7.856  -8.440  -2.997
  177   3HG2  ILE  49          HG23      ILE  49  -6.832  -7.342  -2.069
  178   1HD1  ILE  49          HD11      ILE  49  -5.341  -4.437  -4.783
  179   2HD1  ILE  49          HD12      ILE  49  -6.423  -5.514  -5.665
  180   3HD1  ILE  49          HD13      ILE  49  -6.842  -4.989  -4.030
  181    H    GLU  50           HN       GLU  50  -5.111 -10.213  -1.576
  182    HA   GLU  50           HA       GLU  50  -6.937 -12.316  -2.502
  183   1HB   GLU  50          HB2       GLU  50  -4.508 -12.780  -1.758
  184   2HB   GLU  50          HB3       GLU  50  -5.092 -12.482  -0.128
  185   1HG   GLU  50          HG2       GLU  50  -5.047 -14.843  -0.588
  186   2HG   GLU  50          HG3       GLU  50  -6.713 -14.296  -0.386
  187    HA   PRO  51           HA       PRO  51  -9.887 -10.168   0.149
  188   1HB   PRO  51          HB2       PRO  51 -11.363 -12.682  -0.490
  189   2HB   PRO  51          HB3       PRO  51 -11.903 -11.003  -0.597
  190   1HG   PRO  51          HG2       PRO  51 -11.276 -12.349  -2.794
  191   2HG   PRO  51          HG3       PRO  51 -10.812 -10.645  -2.617
  192   1HD   PRO  51          HD2       PRO  51  -9.136 -13.105  -2.353
  193   2HD   PRO  51          HD3       PRO  51  -8.720 -11.527  -3.053
  194    H    SER  52           HN       SER  52  -9.072 -13.598   0.375
  195    HA   SER  52           HA       SER  52 -10.263 -14.117   2.851
  196   1HB   SER  52          HB2       SER  52  -9.589 -15.869   1.272
  197   2HB   SER  52          HB3       SER  52  -7.895 -15.476   1.553
  198    HG   SER  52           HG       SER  52  -9.572 -16.160   3.712
  199    H    LEU  53           HN       LEU  53  -7.333 -12.432   2.129
  200    HA   LEU  53           HA       LEU  53  -6.614 -12.591   4.976
  201   1HB   LEU  53          HB2       LEU  53  -4.228 -12.286   4.225
  202   2HB   LEU  53          HB3       LEU  53  -4.955 -13.843   3.902
  203    HG   LEU  53           HG       LEU  53  -5.330 -13.077   1.525
  204   1HD1  LEU  53          HD11      LEU  53  -5.246 -10.700   1.782
  205   2HD1  LEU  53          HD12      LEU  53  -3.601 -10.785   2.430
  206   3HD1  LEU  53          HD13      LEU  53  -3.911 -11.206   0.745
  207   1HD2  LEU  53          HD21      LEU  53  -3.520 -14.562   2.126
  208   2HD2  LEU  53          HD22      LEU  53  -3.000 -13.431   0.876
  209   3HD2  LEU  53          HD23      LEU  53  -2.501 -13.185   2.551
  210    H    GLU  54           HN       GLU  54  -7.898 -10.577   2.841
  211    HA   GLU  54           HA       GLU  54  -8.011  -8.346   2.536
  212   1HB   GLU  54          HB2       GLU  54  -8.357  -7.092   4.656
  213   2HB   GLU  54          HB3       GLU  54  -9.333  -8.539   4.498
  214   1HG   GLU  54          HG2       GLU  54  -7.998  -9.702   6.078
  215   2HG   GLU  54          HG3       GLU  54  -6.784  -8.423   6.083
  216    H    ALA  55           HN       ALA  55  -5.709  -8.717   1.655
  217    HA   ALA  55           HA       ALA  55  -4.329  -6.337   2.307
  218   1HB   ALA  55          HB1       ALA  55  -3.450  -7.745   4.099
  219   2HB   ALA  55          HB2       ALA  55  -2.893  -8.915   2.902
  220   3HB   ALA  55          HB3       ALA  55  -2.188  -7.300   2.951
  221    H    ALA  56           HN       ALA  56  -2.479  -5.964   0.842
  222    HA   ALA  56           HA       ALA  56  -2.889  -7.444  -1.683
  223   1HB   ALA  56          HB1       ALA  56  -2.454  -4.480  -1.362
  224   2HB   ALA  56          HB2       ALA  56  -2.628  -5.345  -2.890
  225   3HB   ALA  56          HB3       ALA  56  -3.978  -5.270  -1.762
  226    H    PHE  57           HN       PHE  57  -1.172  -7.866  -2.953
  227    HA   PHE  57           HA       PHE  57   1.497  -7.259  -1.908
  228   1HB   PHE  57          HB2       PHE  57   0.488  -9.201  -3.984
  229   2HB   PHE  57          HB3       PHE  57   2.197  -8.817  -3.834
  230    HD1  PHE  57           HD1      PHE  57   3.429  -9.452  -1.805
  231    HD2  PHE  57           HD2      PHE  57  -0.606 -10.635  -2.436
  232    HE1  PHE  57           HE1      PHE  57   3.676 -11.195  -0.085
  233    HE2  PHE  57           HE2      PHE  57  -0.370 -12.378  -0.715
  234    HZ   PHE  57           HZ       PHE  57   1.774 -12.658   0.465
  235    H    VAL  58           HN       VAL  58   2.911  -5.987  -2.963
  236    HA   VAL  58           HA       VAL  58   2.002  -4.701  -5.458
  237    HB   VAL  58           HB       VAL  58   3.369  -3.436  -3.075
  238   1HG1  VAL  58          HG11      VAL  58   3.095  -2.290  -5.854
  239   2HG1  VAL  58          HG12      VAL  58   3.608  -1.392  -4.425
  240   3HG1  VAL  58          HG13      VAL  58   4.600  -2.715  -5.039
  241   1HG2  VAL  58          HG21      VAL  58   0.876  -2.744  -4.625
  242   2HG2  VAL  58          HG22      VAL  58   0.943  -3.466  -3.018
  243   3HG2  VAL  58          HG23      VAL  58   1.527  -1.819  -3.272
  244    H    ASP  59           HN       ASP  59   3.401  -4.730  -7.109
  245    HA   ASP  59           HA       ASP  59   5.937  -6.113  -6.604
  246   1HB   ASP  59          HB2       ASP  59   4.378  -7.222  -8.160
  247   2HB   ASP  59          HB3       ASP  59   4.401  -5.778  -9.180
  248    H    TYR  60           HN       TYR  60   7.594  -4.775  -6.400
  249    HA   TYR  60           HA       TYR  60   7.977  -2.802  -8.540
  250   1HB   TYR  60          HB2       TYR  60   9.149  -1.328  -6.954
  251   2HB   TYR  60          HB3       TYR  60   7.499  -1.620  -6.424
  252    HD1  TYR  60           HD1      TYR  60   7.233  -3.595  -4.669
  253    HD2  TYR  60           HD2      TYR  60  10.867  -1.513  -5.424
  254    HE1  TYR  60           HE1      TYR  60   8.095  -4.305  -2.476
  255    HE2  TYR  60           HE2      TYR  60  11.734  -2.221  -3.240
  256    HH   TYR  60           HH       TYR  60  10.229  -4.631  -1.358
  257    H    GLY  61           HN       GLY  61   8.910  -4.844  -9.453
  258   1HA   GLY  61          HA1       GLY  61  10.649  -6.275  -9.928
  259   2HA   GLY  61          HA2       GLY  61  11.680  -4.929  -9.464
  260    H    ALA  62           HN       ALA  62   9.458  -6.897  -7.497
  261    HA   ALA  62           HA       ALA  62  11.739  -7.426  -5.702
  262   1HB   ALA  62          HB1       ALA  62  10.193  -7.235  -3.817
  263   2HB   ALA  62          HB2       ALA  62  10.231  -5.748  -4.766
  264   3HB   ALA  62          HB3       ALA  62   8.877  -6.865  -4.933
  265    H    GLU  63           HN       GLU  63  11.826  -9.398  -4.658
  266    HA   GLU  63           HA       GLU  63  10.491 -11.591  -5.970
  267   1HB   GLU  63          HB2       GLU  63  12.245 -11.663  -3.504
  268   2HB   GLU  63          HB3       GLU  63  11.868 -13.004  -4.576
  269   1HG   GLU  63          HG2       GLU  63  13.467 -10.565  -5.312
  270   2HG   GLU  63          HG3       GLU  63  14.122 -12.157  -4.934
  271    H    ARG  64           HN       ARG  64  10.687 -10.368  -2.642
  272    HA   ARG  64           HA       ARG  64   8.021 -11.457  -2.113
  273   1HB   ARG  64          HB2       ARG  64  10.115 -10.211  -0.336
  274   2HB   ARG  64          HB3       ARG  64   8.467 -10.487   0.213
  275   1HG   ARG  64          HG2       ARG  64  10.290 -12.647  -0.828
  276   2HG   ARG  64          HG3       ARG  64  10.065 -12.263   0.879
  277   1HD   ARG  64          HD2       ARG  64   7.901 -13.143  -1.031
  278   2HD   ARG  64          HD3       ARG  64   8.678 -14.162   0.180
  279    HE   ARG  64           HE       ARG  64   7.707 -12.069   1.614
  280   1HH1  ARG  64          HH1       ARG  64   6.284 -14.357  -0.628
  281   2HH1  ARG  64          HH1       ARG  64   4.723 -14.317   0.141
  282   1HH2  ARG  64          HH2       ARG  64   5.640 -12.014   2.608
  283   2HH2  ARG  64          HH2       ARG  64   4.355 -12.991   1.965
  284    H    HIS  65           HN       HIS  65   6.462 -10.239  -2.868
  285    HA   HIS  65           HA       HIS  65   6.722  -7.552  -3.632
  286   1HB   HIS  65          HB2       HIS  65   4.322  -9.310  -3.168
  287   2HB   HIS  65          HB3       HIS  65   4.167  -7.640  -3.701
  288    HD1  HIS  65           HD1      HIS  65   3.091  -8.520  -5.904
  289    HD2  HIS  65           HD2      HIS  65   7.042  -9.657  -5.325
  290    HE1  HIS  65           HE1      HIS  65   3.867  -9.389  -8.102
  291    HE2  HIS  65           HE2      HIS  65   6.201 -10.265  -7.689
  292    H    GLY  66           HN       GLY  66   5.902  -5.661  -2.778
  293   1HA   GLY  66          HA1       GLY  66   5.972  -5.316   0.013
  294   2HA   GLY  66          HA2       GLY  66   5.324  -4.159  -1.147
  295    H    PHE  67           HN       PHE  67   4.572  -6.161   1.389
  296    HA   PHE  67           HA       PHE  67   1.861  -6.706   0.437
  297   1HB   PHE  67          HB2       PHE  67   3.353  -8.521   1.392
  298   2HB   PHE  67          HB3       PHE  67   3.159  -7.732   2.946
  299    HD1  PHE  67           HD1      PHE  67   0.721  -8.440   0.216
  300    HD2  PHE  67           HD2      PHE  67   1.853  -9.072   4.265
  301    HE1  PHE  67           HE1      PHE  67  -1.370  -9.685   0.604
  302    HE2  PHE  67           HE2      PHE  67  -0.228 -10.314   4.663
  303    HZ   PHE  67           HZ       PHE  67  -1.839 -10.663   2.748
  304    H    LEU  68           HN       LEU  68   0.681  -4.956   0.732
  305    HA   LEU  68           HA       LEU  68   0.804  -3.420   3.206
  306   1HB   LEU  68          HB2       LEU  68   0.331  -2.788   0.547
  307   2HB   LEU  68          HB3       LEU  68  -1.258  -2.699   1.272
  308    HG   LEU  68           HG       LEU  68   1.181  -1.113   2.046
  309   1HD1  LEU  68          HD11      LEU  68  -0.218   0.794   1.383
  310   2HD1  LEU  68          HD12      LEU  68   0.063  -0.323   0.047
  311   3HD1  LEU  68          HD13      LEU  68  -1.489  -0.325   0.886
  312   1HD2  LEU  68          HD21      LEU  68  -0.286   0.004   3.670
  313   2HD2  LEU  68          HD22      LEU  68  -1.540  -1.195   3.339
  314   3HD2  LEU  68          HD23      LEU  68  -0.008  -1.694   4.061
  315    HA   PRO  69           HA       PRO  69  -2.733  -5.791   4.820
  316   1HB   PRO  69          HB2       PRO  69  -2.361  -3.826   7.006
  317   2HB   PRO  69          HB3       PRO  69  -2.440  -5.587   7.090
  318   1HG   PRO  69          HG2       PRO  69  -0.129  -4.307   7.431
  319   2HG   PRO  69          HG3       PRO  69  -0.197  -5.839   6.536
  320   1HD   PRO  69          HD2       PRO  69  -0.020  -3.035   5.478
  321   2HD   PRO  69          HD3       PRO  69   0.840  -4.495   4.945
  322    H    LEU  70           HN       LEU  70  -4.852  -5.318   4.764
  323    HA   LEU  70           HA       LEU  70  -5.753  -2.960   3.532
  324   1HB   LEU  70          HB2       LEU  70  -7.119  -4.775   3.166
  325   2HB   LEU  70          HB3       LEU  70  -7.045  -5.300   4.828
  326    HG   LEU  70           HG       LEU  70  -8.498  -3.346   5.433
  327   1HD1  LEU  70          HD11      LEU  70  -8.014  -1.949   3.516
  328   2HD1  LEU  70          HD12      LEU  70  -8.776  -3.128   2.446
  329   3HD1  LEU  70          HD13      LEU  70  -9.745  -2.261   3.641
  330   1HD2  LEU  70          HD21      LEU  70 -10.568  -4.351   4.504
  331   2HD2  LEU  70          HD22      LEU  70  -9.561  -5.393   3.500
  332   3HD2  LEU  70          HD23      LEU  70  -9.483  -5.517   5.258
  333    H    LYS  71           HN       LYS  71  -5.566  -3.914   6.909
  334    HA   LYS  71           HA       LYS  71  -7.311  -1.960   7.926
  335   1HB   LYS  71          HB2       LYS  71  -6.489  -2.526  10.066
  336   2HB   LYS  71          HB3       LYS  71  -6.424  -3.999   9.118
  337   1HG   LYS  71          HG2       LYS  71  -4.014  -3.660   8.790
  338   2HG   LYS  71          HG3       LYS  71  -4.099  -2.208   9.793
  339   1HD   LYS  71          HD2       LYS  71  -5.197  -3.814  11.529
  340   2HD   LYS  71          HD3       LYS  71  -4.424  -5.077  10.573
  341   1HE   LYS  71          HE2       LYS  71  -3.023  -2.731  11.849
  342   2HE   LYS  71          HE3       LYS  71  -3.056  -4.370  12.492
  343   1HZ   LYS  71          HZ1       LYS  71  -1.043  -4.217  11.392
  344   2HZ   LYS  71          HZ2       LYS  71  -1.679  -3.348  10.087
  345   3HZ   LYS  71          HZ3       LYS  71  -2.025  -5.007  10.254
  346    H    GLU  72           HN       GLU  72  -4.252  -1.634   6.539
  347    HA   GLU  72           HA       GLU  72  -3.671   0.885   7.916
  348   1HB   GLU  72          HB2       GLU  72  -1.913  -0.258   5.782
  349   2HB   GLU  72          HB3       GLU  72  -1.472   0.652   7.222
  350   1HG   GLU  72          HG2       GLU  72  -2.498  -2.171   7.295
  351   2HG   GLU  72          HG3       GLU  72  -0.791  -1.758   7.186
  352    H    ILE  73           HN       ILE  73  -5.233  -0.253   5.163
  353    HA   ILE  73           HA       ILE  73  -4.222   1.144   3.024
  354    HB   ILE  73           HB       ILE  73  -6.958   0.095   3.609
  355   1HG1  ILE  73          HG12      ILE  73  -4.678  -0.624   1.778
  356   2HG1  ILE  73          HG13      ILE  73  -5.442  -1.602   3.023
  357   1HG2  ILE  73          HG21      ILE  73  -6.236   1.487   1.043
  358   2HG2  ILE  73          HG22      ILE  73  -7.753   0.676   1.412
  359   3HG2  ILE  73          HG23      ILE  73  -7.302   2.143   2.281
  360   1HD1  ILE  73          HD11      ILE  73  -7.456  -1.750   1.638
  361   2HD1  ILE  73          HD12      ILE  73  -6.648  -0.811   0.386
  362   3HD1  ILE  73          HD13      ILE  73  -6.033  -2.404   0.829
  363    H    ALA  74           HN       ALA  74  -4.309   3.089   2.203
  364    HA   ALA  74           HA       ALA  74  -5.442   5.253   3.756
  365   1HB   ALA  74          HB1       ALA  74  -4.207   6.701   2.250
  366   2HB   ALA  74          HB2       ALA  74  -3.161   5.406   2.835
  367   3HB   ALA  74          HB3       ALA  74  -3.828   5.329   1.204
  368    H    ARG  75           HN       ARG  75  -6.949   6.700   3.034
  369    HA   ARG  75           HA       ARG  75  -9.061   5.735   1.459
  370   1HB   ARG  75          HB2       ARG  75  -9.084   7.537   3.295
  371   2HB   ARG  75          HB3       ARG  75  -8.651   8.659   2.011
  372   1HG   ARG  75          HG2       ARG  75 -10.661   8.067   0.782
  373   2HG   ARG  75          HG3       ARG  75 -11.086   6.886   2.019
  374   1HD   ARG  75          HD2       ARG  75 -10.943   9.877   2.312
  375   2HD   ARG  75          HD3       ARG  75 -12.377   8.856   2.386
  376    HE   ARG  75           HE       ARG  75 -10.479   8.116   4.370
  377   1HH1  ARG  75          HH1       ARG  75 -12.988  10.442   3.627
  378   2HH1  ARG  75          HH1       ARG  75 -13.242  10.884   5.284
  379   1HH2  ARG  75          HH2       ARG  75 -10.818   8.690   6.560
  380   2HH2  ARG  75          HH2       ARG  75 -12.024   9.880   6.951
  381    H    GLU  76           HN       GLU  76  -6.132   7.166   0.466
  382    HA   GLU  76           HA       GLU  76  -6.904   8.477  -1.896
  383   1HB   GLU  76          HB2       GLU  76  -4.581   8.333  -0.776
  384   2HB   GLU  76          HB3       GLU  76  -4.395   6.831  -1.678
  385   1HG   GLU  76          HG2       GLU  76  -3.378   8.514  -2.983
  386   2HG   GLU  76          HG3       GLU  76  -4.922   8.143  -3.752
  387    H    TYR  77           HN       TYR  77  -6.792   5.148  -1.061
  388    HA   TYR  77           HA       TYR  77  -6.504   4.230  -3.800
  389   1HB   TYR  77          HB2       TYR  77  -6.830   2.619  -1.258
  390   2HB   TYR  77          HB3       TYR  77  -6.312   2.013  -2.830
  391    HD1  TYR  77           HD1      TYR  77  -4.439   4.229  -3.607
  392    HD2  TYR  77           HD2      TYR  77  -4.926   2.160   0.074
  393    HE1  TYR  77           HE1      TYR  77  -2.104   4.737  -3.011
  394    HE2  TYR  77           HE2      TYR  77  -2.598   2.658   0.674
  395    HH   TYR  77           HH       TYR  77  -0.484   3.221  -0.460
  396    H    PHE  78           HN       PHE  78  -8.872   3.979  -1.159
  397    HA   PHE  78           HA       PHE  78 -10.940   3.496  -3.166
  398   1HB   PHE  78          HB2       PHE  78 -12.502   3.298  -1.230
  399   2HB   PHE  78          HB3       PHE  78 -11.219   2.103  -1.207
  400    HD1  PHE  78           HD1      PHE  78  -9.132   2.775   0.288
  401    HD2  PHE  78           HD2      PHE  78 -13.045   4.399   0.687
  402    HE1  PHE  78           HE1      PHE  78  -8.639   3.387   2.617
  403    HE2  PHE  78           HE2      PHE  78 -12.554   5.023   3.013
  404    HZ   PHE  78           HZ       PHE  78 -10.350   4.515   3.982
  405    HA   PRO  79           HA       PRO  79 -10.336   7.802  -3.788
  406   1HB   PRO  79          HB2       PRO  79 -12.927   8.174  -4.889
  407   2HB   PRO  79          HB3       PRO  79 -11.417   7.914  -5.764
  408   1HG   PRO  79          HG2       PRO  79 -13.512   5.968  -4.970
  409   2HG   PRO  79          HG3       PRO  79 -12.489   5.985  -6.421
  410   1HD   PRO  79          HD2       PRO  79 -11.997   4.258  -4.470
  411   2HD   PRO  79          HD3       PRO  79 -10.643   5.106  -5.255
  412    H    ALA  80           HN       ALA  80 -10.669   9.559  -2.660
  413    HA   ALA  80           HA       ALA  80 -11.941   9.553  -0.216
  414   1HB   ALA  80          HB1       ALA  80 -11.471  11.919  -0.147
  415   2HB   ALA  80          HB2       ALA  80 -10.130  11.056  -0.908
  416   3HB   ALA  80          HB3       ALA  80 -11.279  11.956  -1.900
  417    H    ASN  81           HN       ASN  81 -13.475   9.848  -3.227
  418    HA   ASN  81           HA       ASN  81 -15.761  11.336  -2.233
  419   1HB   ASN  81          HB2       ASN  81 -15.279   9.949  -4.883
  420   2HB   ASN  81          HB3       ASN  81 -16.720  10.880  -4.495
  421   1HD2  ASN  81          HD21      ASN  81 -16.392  12.369  -6.113
  422   2HD2  ASN  81          HD22      ASN  81 -15.116  13.539  -6.065
  423    H    TYR  82           HN       TYR  82 -14.652   8.166  -2.205
  424    HA   TYR  82           HA       TYR  82 -17.169   6.784  -2.251
  425   1HB   TYR  82          HB2       TYR  82 -15.045   5.692  -2.887
  426   2HB   TYR  82          HB3       TYR  82 -14.436   5.922  -1.256
  427    HD1  TYR  82           HD1      TYR  82 -16.937   4.104  -3.287
  428    HD2  TYR  82           HD2      TYR  82 -14.959   4.372   0.472
  429    HE1  TYR  82           HE1      TYR  82 -17.884   1.931  -2.640
  430    HE2  TYR  82           HE2      TYR  82 -15.897   2.193   1.125
  431    HH   TYR  82           HH       TYR  82 -17.895   0.800   0.527
  432    H    SER  83           HN       SER  83 -18.333   6.021  -0.494
  433    HA   SER  83           HA       SER  83 -18.144   7.632   1.877
  434   1HB   SER  83          HB2       SER  83 -20.012   5.315   1.351
  435   2HB   SER  83          HB3       SER  83 -20.254   6.662   2.466
  436    HG   SER  83           HG       SER  83 -20.493   8.044   0.727
  437    H    ALA  84           HN       ALA  84 -16.400   7.084   3.120
  438    HA   ALA  84           HA       ALA  84 -15.925   4.305   3.828
  439   1HB   ALA  84          HB1       ALA  84 -14.570   6.826   4.796
  440   2HB   ALA  84          HB2       ALA  84 -14.038   5.175   5.118
  441   3HB   ALA  84          HB3       ALA  84 -14.019   5.801   3.470
  442    H    HIS  85           HN       HIS  85 -16.821   3.322   5.534
  443    HA   HIS  85           HA       HIS  85 -18.415   4.965   7.371
  444   1HB   HIS  85          HB2       HIS  85 -19.321   2.919   6.076
  445   2HB   HIS  85          HB3       HIS  85 -18.429   1.955   7.247
  446    HD1  HIS  85           HD1      HIS  85 -21.550   3.845   6.772
  447    HD2  HIS  85           HD2      HIS  85 -19.432   2.191   9.951
  448    HE1  HIS  85           HE1      HIS  85 -23.161   3.778   8.701
  449    HE2  HIS  85           HE2      HIS  85 -21.831   2.884  10.644
  450    H    GLY  86           HN       GLY  86 -15.542   3.113   7.224
  451   1HA   GLY  86          HA1       GLY  86 -14.571   3.940   9.694
  452   2HA   GLY  86          HA2       GLY  86 -15.306   2.362   9.942
  453    H    ARG  87           HN       ARG  87 -14.547   0.592   8.581
  454    HA   ARG  87           HA       ARG  87 -11.703   0.932   7.910
  455   1HB   ARG  87          HB2       ARG  87 -11.552  -1.537   8.040
  456   2HB   ARG  87          HB3       ARG  87 -12.081  -0.816   9.553
  457   1HG   ARG  87          HG2       ARG  87 -14.320  -1.521   9.204
  458   2HG   ARG  87          HG3       ARG  87 -13.978  -1.989   7.537
  459   1HD   ARG  87          HD2       ARG  87 -12.616  -3.257   9.902
  460   2HD   ARG  87          HD3       ARG  87 -14.129  -3.866   9.236
  461    HE   ARG  87           HE       ARG  87 -12.431  -3.712   7.090
  462   1HH1  ARG  87          HH1       ARG  87 -12.344  -5.308  10.211
  463   2HH1  ARG  87          HH1       ARG  87 -11.429  -6.671   9.635
  464   1HH2  ARG  87          HH2       ARG  87 -11.250  -5.527   6.324
  465   2HH2  ARG  87          HH2       ARG  87 -10.779  -6.781   7.432
  466    HA   PRO  88           HA       PRO  88 -12.796   0.423   3.595
  467   1HB   PRO  88          HB2       PRO  88 -10.199  -0.182   2.814
  468   2HB   PRO  88          HB3       PRO  88 -10.901   1.433   2.876
  469   1HG   PRO  88          HG2       PRO  88  -9.045   0.108   4.757
  470   2HG   PRO  88          HG3       PRO  88  -9.235   1.833   4.385
  471   1HD   PRO  88          HD2       PRO  88 -10.148   0.635   6.680
  472   2HD   PRO  88          HD3       PRO  88 -10.832   2.116   5.982
  473    H    ASN  89           HN       ASN  89 -12.720  -1.297   2.042
  474    HA   ASN  89           HA       ASN  89 -12.025  -3.935   3.148
  475   1HB   ASN  89          HB2       ASN  89 -13.922  -4.619   1.390
  476   2HB   ASN  89          HB3       ASN  89 -14.304  -4.197   3.054
  477   1HD2  ASN  89          HD21      ASN  89 -14.279  -3.071  -0.247
  478   2HD2  ASN  89          HD22      ASN  89 -15.426  -1.801  -0.020
  479    H    ILE  90           HN       ILE  90 -10.241  -4.595   2.127
  480    HA   ILE  90           HA       ILE  90  -9.118  -3.080   0.109
  481    HB   ILE  90           HB       ILE  90  -7.818  -4.426   1.703
  482   1HG1  ILE  90          HG12      ILE  90  -7.046  -5.179  -1.104
  483   2HG1  ILE  90          HG13      ILE  90  -6.967  -3.514  -0.530
  484   1HG2  ILE  90          HG21      ILE  90  -8.517  -6.784  -0.048
  485   2HG2  ILE  90          HG22      ILE  90  -7.364  -6.781   1.290
  486   3HG2  ILE  90          HG23      ILE  90  -9.082  -6.521   1.601
  487   1HD1  ILE  90          HD11      ILE  90  -5.476  -5.881   0.561
  488   2HD1  ILE  90          HD12      ILE  90  -4.811  -4.509  -0.325
  489   3HD1  ILE  90          HD13      ILE  90  -5.476  -4.273   1.290
  490    H    LYS  91           HN       LYS  91 -10.808  -6.159  -0.211
  491    HA   LYS  91           HA       LYS  91 -10.106  -6.583  -2.911
  492   1HB   LYS  91          HB2       LYS  91 -11.984  -8.221  -2.881
  493   2HB   LYS  91          HB3       LYS  91 -10.827  -8.429  -1.573
  494   1HG   LYS  91          HG2       LYS  91 -12.408  -7.113  -0.122
  495   2HG   LYS  91          HG3       LYS  91 -13.586  -7.255  -1.431
  496   1HD   LYS  91          HD2       LYS  91 -13.218  -9.749  -1.320
  497   2HD   LYS  91          HD3       LYS  91 -12.314  -9.465   0.171
  498   1HE   LYS  91          HE2       LYS  91 -14.247  -8.537   1.236
  499   2HE   LYS  91          HE3       LYS  91 -15.155  -8.553  -0.276
  500   1HZ   LYS  91          HZ1       LYS  91 -14.973 -10.996  -0.259
  501   2HZ   LYS  91          HZ2       LYS  91 -15.828 -10.396   1.074
  502   3HZ   LYS  91          HZ3       LYS  91 -14.225 -10.919   1.262
  503    H    ASP  92           HN       ASP  92 -12.197  -4.333  -1.532
  504    HA   ASP  92           HA       ASP  92 -13.429  -3.821  -4.160
  505   1HB   ASP  92          HB2       ASP  92 -15.112  -4.685  -2.584
  506   2HB   ASP  92          HB3       ASP  92 -14.685  -3.436  -1.425
  507    H    VAL  93           HN       VAL  93 -11.000  -2.905  -2.620
  508    HA   VAL  93           HA       VAL  93 -11.498   0.001  -2.725
  509    HB   VAL  93           HB       VAL  93  -9.840  -1.595  -0.779
  510   1HG1  VAL  93          HG11      VAL  93  -8.364   0.149  -1.614
  511   2HG1  VAL  93          HG12      VAL  93  -9.601   1.366  -1.306
  512   3HG1  VAL  93          HG13      VAL  93  -8.863   0.500   0.041
  513   1HG2  VAL  93          HG21      VAL  93 -11.027  -0.144   0.856
  514   2HG2  VAL  93          HG22      VAL  93 -11.956   0.529  -0.481
  515   3HG2  VAL  93          HG23      VAL  93 -12.092  -1.185  -0.086
  516    H    LEU  94           HN       LEU  94  -8.931  -2.435  -2.815
  517    HA   LEU  94           HA       LEU  94  -7.470  -0.774  -4.731
  518   1HB   LEU  94          HB2       LEU  94  -6.668  -3.062  -2.950
  519   2HB   LEU  94          HB3       LEU  94  -5.665  -2.557  -4.293
  520    HG   LEU  94           HG       LEU  94  -6.458  -0.748  -2.011
  521   1HD1  LEU  94          HD11      LEU  94  -4.167  -1.072  -1.221
  522   2HD1  LEU  94          HD12      LEU  94  -5.057  -2.596  -1.230
  523   3HD1  LEU  94          HD13      LEU  94  -3.888  -2.249  -2.506
  524   1HD2  LEU  94          HD21      LEU  94  -4.672   0.671  -2.893
  525   2HD2  LEU  94          HD22      LEU  94  -4.414  -0.472  -4.210
  526   3HD2  LEU  94          HD23      LEU  94  -5.936   0.411  -4.095
  527    H    ARG  95           HN       ARG  95  -6.721  -1.710  -6.680
  528    HA   ARG  95           HA       ARG  95  -7.923  -4.289  -7.374
  529   1HB   ARG  95          HB2       ARG  95  -7.359  -2.112  -9.373
  530   2HB   ARG  95          HB3       ARG  95  -8.270  -3.586  -9.593
  531   1HG   ARG  95          HG2       ARG  95 -10.084  -2.347  -9.322
  532   2HG   ARG  95          HG3       ARG  95  -9.658  -2.297  -7.609
  533   1HD   ARG  95          HD2       ARG  95 -10.094  -0.055  -8.643
  534   2HD   ARG  95          HD3       ARG  95  -8.510  -0.219  -7.881
  535    HE   ARG  95           HE       ARG  95  -8.423  -0.858 -10.663
  536   1HH1  ARG  95          HH1       ARG  95  -8.560   1.882  -8.465
  537   2HH1  ARG  95          HH1       ARG  95  -7.666   2.925  -9.533
  538   1HH2  ARG  95          HH2       ARG  95  -7.301   0.529 -12.062
  539   2HH2  ARG  95          HH2       ARG  95  -6.998   2.177 -11.599
  540    H    GLU  96           HN       GLU  96  -6.641  -5.616  -8.641
  541    HA   GLU  96           HA       GLU  96  -3.838  -5.287  -8.462
  542   1HB   GLU  96          HB2       GLU  96  -5.410  -7.232 -10.174
  543   2HB   GLU  96          HB3       GLU  96  -3.721  -7.384  -9.690
  544   1HG   GLU  96          HG2       GLU  96  -4.334  -7.668  -7.395
  545   2HG   GLU  96          HG3       GLU  96  -6.019  -7.303  -7.747
  546    H    GLY  97           HN       GLY  97  -2.735  -3.902  -9.632
  547   1HA   GLY  97          HA1       GLY  97  -2.120  -3.008 -11.818
  548   2HA   GLY  97          HA2       GLY  97  -3.820  -3.091 -12.255
  549    H    GLN  98           HN       GLN  98  -4.250  -2.091  -9.280
  550    HA   GLN  98           HA       GLN  98  -4.218   0.731  -9.915
  551   1HB   GLN  98          HB2       GLN  98  -5.986  -0.337  -8.467
  552   2HB   GLN  98          HB3       GLN  98  -4.758  -0.557  -7.231
  553   1HG   GLN  98          HG2       GLN  98  -4.372   1.886  -7.223
  554   2HG   GLN  98          HG3       GLN  98  -5.703   2.067  -8.359
  555   1HE2  GLN  98          HE21      GLN  98  -7.334   0.030  -7.112
  556   2HE2  GLN  98          HE22      GLN  98  -7.931   0.715  -5.640
  557    H    GLU  99           HN       GLU  99  -2.906   2.304  -9.006
  558    HA   GLU  99           HA       GLU  99  -0.327   1.368  -8.054
  559   1HB   GLU  99          HB2       GLU  99   0.377   3.682  -8.283
  560   2HB   GLU  99          HB3       GLU  99  -0.437   3.145  -9.754
  561   1HG   GLU  99          HG2       GLU  99  -2.532   4.203  -8.770
  562   2HG   GLU  99          HG3       GLU  99  -1.457   4.994  -7.607
  563    H    VAL 100           HN       VAL 100   0.644   2.003  -6.159
  564    HA   VAL 100           HA       VAL 100  -0.901   3.633  -4.271
  565    HB   VAL 100           HB       VAL 100  -0.049   2.293  -2.389
  566   1HG1  VAL 100          HG11      VAL 100  -2.281   1.840  -3.221
  567   2HG1  VAL 100          HG12      VAL 100  -1.630   0.675  -4.375
  568   3HG1  VAL 100          HG13      VAL 100  -1.520   0.356  -2.644
  569   1HG2  VAL 100          HG21      VAL 100   1.939   1.377  -3.463
  570   2HG2  VAL 100          HG22      VAL 100   0.945   0.092  -2.768
  571   3HG2  VAL 100          HG23      VAL 100   0.921   0.382  -4.507
  572    H    ILE 101           HN       ILE 101   0.379   5.082  -3.092
  573    HA   ILE 101           HA       ILE 101   3.231   5.097  -3.793
  574    HB   ILE 101           HB       ILE 101   1.956   7.239  -2.127
  575   1HG1  ILE 101          HG12      ILE 101   0.411   6.973  -4.005
  576   2HG1  ILE 101          HG13      ILE 101   1.316   8.472  -4.159
  577   1HG2  ILE 101          HG21      ILE 101   3.604   8.649  -3.275
  578   2HG2  ILE 101          HG22      ILE 101   4.359   7.279  -2.460
  579   3HG2  ILE 101          HG23      ILE 101   4.134   7.250  -4.209
  580   1HD1  ILE 101          HD11      ILE 101   2.774   7.430  -5.800
  581   2HD1  ILE 101          HD12      ILE 101   1.889   5.914  -5.624
  582   3HD1  ILE 101          HD13      ILE 101   1.083   7.334  -6.293
  583    H    VAL 102           HN       VAL 102   4.434   3.955  -2.441
  584    HA   VAL 102           HA       VAL 102   3.866   3.951   0.435
  585    HB   VAL 102           HB       VAL 102   4.104   1.412   0.391
  586   1HG1  VAL 102          HG11      VAL 102   1.987   2.536   0.870
  587   2HG1  VAL 102          HG12      VAL 102   1.635   2.616  -0.857
  588   3HG1  VAL 102          HG13      VAL 102   1.732   1.051  -0.047
  589   1HG2  VAL 102          HG21      VAL 102   4.928   1.152  -1.865
  590   2HG2  VAL 102          HG22      VAL 102   3.380   0.321  -1.713
  591   3HG2  VAL 102          HG23      VAL 102   3.464   1.886  -2.520
  592    H    GLN 103           HN       GLN 103   5.666   3.582   1.682
  593    HA   GLN 103           HA       GLN 103   8.153   3.153   0.172
  594   1HB   GLN 103          HB2       GLN 103   9.351   4.115   2.095
  595   2HB   GLN 103          HB3       GLN 103   8.185   5.236   1.419
  596   1HG   GLN 103          HG2       GLN 103   7.941   5.516   3.696
  597   2HG   GLN 103          HG3       GLN 103   6.631   4.419   3.293
  598   1HE2  GLN 103          HE21      GLN 103   9.742   4.747   4.806
  599   2HE2  GLN 103          HE22      GLN 103   9.683   3.282   5.715
  600    H    ILE 104           HN       ILE 104   9.842   1.910   1.392
  601    HA   ILE 104           HA       ILE 104   8.549  -0.409   2.642
  602    HB   ILE 104           HB       ILE 104  11.036  -0.177   0.958
  603   1HG1  ILE 104          HG12      ILE 104   8.931  -0.451  -0.226
  604   2HG1  ILE 104          HG13      ILE 104   9.888  -1.924  -0.362
  605   1HG2  ILE 104          HG21      ILE 104  11.636  -1.568   2.859
  606   2HG2  ILE 104          HG22      ILE 104  10.204  -2.564   2.597
  607   3HG2  ILE 104          HG23      ILE 104  11.492  -2.538   1.392
  608   1HD1  ILE 104          HD11      ILE 104   7.532  -2.420   0.018
  609   2HD1  ILE 104          HD12      ILE 104   8.515  -2.970   1.373
  610   3HD1  ILE 104          HD13      ILE 104   7.567  -1.489   1.516
  611    H    ASP 105           HN       ASP 105   8.565   0.096   4.729
  612    HA   ASP 105           HA       ASP 105  10.913   1.159   6.030
  613   1HB   ASP 105          HB2       ASP 105   8.833   1.978   6.842
  614   2HB   ASP 105          HB3       ASP 105   8.178   0.361   7.027
  615    H    LYS 106           HN       LYS 106   9.348  -1.928   5.608
  616    HA   LYS 106           HA       LYS 106  11.599  -3.140   7.053
  617   1HB   LYS 106          HB2       LYS 106   8.760  -4.114   6.809
  618   2HB   LYS 106          HB3       LYS 106  10.081  -5.184   7.264
  619   1HG   LYS 106          HG2       LYS 106   9.085  -2.761   8.744
  620   2HG   LYS 106          HG3       LYS 106   9.042  -4.447   9.270
  621   1HD   LYS 106          HD2       LYS 106  11.496  -4.483   9.312
  622   2HD   LYS 106          HD3       LYS 106  11.524  -2.795   8.804
  623   1HE   LYS 106          HE2       LYS 106  10.474  -3.917  11.393
  624   2HE   LYS 106          HE3       LYS 106  11.871  -2.867  11.165
  625   1HZ   LYS 106          HZ1       LYS 106   9.012  -2.203  11.075
  626   2HZ   LYS 106          HZ2       LYS 106  10.087  -1.275  10.154
  627   3HZ   LYS 106          HZ3       LYS 106  10.284  -1.378  11.832
  628    H    GLU 107           HN       GLU 107  12.705  -4.789   6.069
  629    HA   GLU 107           HA       GLU 107  12.615  -4.491   3.178
  630   1HB   GLU 107          HB2       GLU 107  14.795  -5.373   5.073
  631   2HB   GLU 107          HB3       GLU 107  14.975  -5.148   3.349
  632   1HG   GLU 107          HG2       GLU 107  14.722  -2.822   3.501
  633   2HG   GLU 107          HG3       GLU 107  14.084  -2.926   5.141
  634    H    GLU 108           HN       GLU 108  13.174  -6.357   1.857
  635    HA   GLU 108           HA       GLU 108  11.580  -8.560   2.309
  636   1HB   GLU 108          HB2       GLU 108  12.749  -7.814   0.149
  637   2HB   GLU 108          HB3       GLU 108  14.127  -8.750   0.717
  638   1HG   GLU 108          HG2       GLU 108  12.699 -10.743   0.834
  639   2HG   GLU 108          HG3       GLU 108  11.353  -9.791   0.210
  640    H    ARG 109           HN       ARG 109  11.648  -9.981   3.860
  641    HA   ARG 109           HA       ARG 109  14.145 -11.221   4.680
  642   1HB   ARG 109          HB2       ARG 109  13.568 -10.823   7.093
  643   2HB   ARG 109          HB3       ARG 109  14.052  -9.383   6.215
  644   1HG   ARG 109          HG2       ARG 109  11.726  -8.733   5.984
  645   2HG   ARG 109          HG3       ARG 109  11.220 -10.190   6.834
  646   1HD   ARG 109          HD2       ARG 109  13.009  -8.067   8.001
  647   2HD   ARG 109          HD3       ARG 109  11.265  -8.151   8.254
  648    HE   ARG 109           HE       ARG 109  12.641 -10.587   8.932
  649   1HH1  ARG 109          HH1       ARG 109  11.794  -7.401  10.103
  650   2HH1  ARG 109          HH1       ARG 109  11.740  -7.887  11.768
  651   1HH2  ARG 109          HH2       ARG 109  12.614 -11.231  11.095
  652   2HH2  ARG 109          HH2       ARG 109  12.207 -10.086  12.343
  653    H    GLY 110           HN       GLY 110  12.256 -12.422   3.204
  654   1HA   GLY 110          HA1       GLY 110  11.278 -14.500   3.164
  655   2HA   GLY 110          HA2       GLY 110  11.606 -14.638   4.880
  656    H    ASN 111           HN       ASN 111  10.035 -13.988   6.377
  657    HA   ASN 111           HA       ASN 111   7.511 -14.888   5.567
  658   1HB   ASN 111          HB2       ASN 111   8.294 -15.223   7.827
  659   2HB   ASN 111          HB3       ASN 111   8.327 -13.487   8.117
  660   1HD2  ASN 111          HD21      ASN 111   6.318 -16.296   7.737
  661   2HD2  ASN 111          HD22      ASN 111   4.866 -15.591   8.374
  662    H    LYS 112           HN       LYS 112   8.489 -11.548   6.435
  663    HA   LYS 112           HA       LYS 112   5.910 -10.701   5.313
  664   1HB   LYS 112          HB2       LYS 112   6.098 -10.046   7.637
  665   2HB   LYS 112          HB3       LYS 112   7.666  -9.314   7.339
  666   1HG   LYS 112          HG2       LYS 112   5.934  -7.622   7.544
  667   2HG   LYS 112          HG3       LYS 112   6.622  -7.625   5.921
  668   1HD   LYS 112          HD2       LYS 112   4.701  -8.960   5.137
  669   2HD   LYS 112          HD3       LYS 112   4.007  -8.881   6.757
  670   1HE   LYS 112          HE2       LYS 112   4.664  -6.458   5.089
  671   2HE   LYS 112          HE3       LYS 112   3.076  -7.223   5.123
  672   1HZ   LYS 112          HZ1       LYS 112   2.855  -6.716   7.430
  673   2HZ   LYS 112          HZ2       LYS 112   3.303  -5.289   6.635
  674   3HZ   LYS 112          HZ3       LYS 112   4.451  -6.152   7.534
  675    H    GLY 113           HN       GLY 113   9.335  -9.942   5.474
  676   1HA   GLY 113          HA1       GLY 113  10.745  -9.126   3.884
  677   2HA   GLY 113          HA2       GLY 113   9.518  -9.563   2.702
  678    H    ALA 114           HN       ALA 114   8.867  -7.968   1.532
  679    HA   ALA 114           HA       ALA 114   9.517  -5.264   2.155
  680   1HB   ALA 114          HB1       ALA 114   8.572  -4.747  -0.004
  681   2HB   ALA 114          HB2       ALA 114   9.576  -6.193  -0.130
  682   3HB   ALA 114          HB3       ALA 114   7.817  -6.339  -0.090
  683    H    ALA 115           HN       ALA 115   8.404  -4.417   3.833
  684    HA   ALA 115           HA       ALA 115   5.493  -4.754   3.903
  685   1HB   ALA 115          HB1       ALA 115   5.616  -3.814   6.159
  686   2HB   ALA 115          HB2       ALA 115   6.664  -5.223   5.977
  687   3HB   ALA 115          HB3       ALA 115   7.357  -3.602   5.972
  688    H    LEU 116           HN       LEU 116   4.203  -3.224   3.187
  689    HA   LEU 116           HA       LEU 116   5.295  -0.609   2.513
  690   1HB   LEU 116          HB2       LEU 116   2.493  -1.640   2.078
  691   2HB   LEU 116          HB3       LEU 116   3.227  -0.234   1.335
  692    HG   LEU 116           HG       LEU 116   4.080  -3.083   0.828
  693   1HD1  LEU 116          HD11      LEU 116   1.864  -2.698  -0.031
  694   2HD1  LEU 116          HD12      LEU 116   2.387  -1.194  -0.789
  695   3HD1  LEU 116          HD13      LEU 116   3.019  -2.736  -1.364
  696   1HD2  LEU 116          HD21      LEU 116   4.805  -0.536  -0.604
  697   2HD2  LEU 116          HD22      LEU 116   5.845  -1.381   0.539
  698   3HD2  LEU 116          HD23      LEU 116   5.383  -2.160  -0.973
  699    H    THR 117           HN       THR 117   4.825   1.215   3.603
  700    HA   THR 117           HA       THR 117   3.032   1.040   5.912
  701    HB   THR 117           HB       THR 117   5.383   2.103   6.031
  702    HG1  THR 117           HG1      THR 117   4.650   3.260   7.698
  703   1HG2  THR 117          HG21      THR 117   5.147   3.422   3.957
  704   2HG2  THR 117          HG22      THR 117   5.560   4.421   5.351
  705   3HG2  THR 117          HG23      THR 117   3.905   4.395   4.741
  706    H    THR 118           HN       THR 118   1.571   2.967   6.247
  707    HA   THR 118           HA       THR 118   0.793   4.244   3.724
  708    HB   THR 118           HB       THR 118  -1.621   4.103   4.723
  709    HG1  THR 118           HG1      THR 118  -1.941   2.317   6.016
  710   1HG2  THR 118          HG21      THR 118  -0.958   3.107   2.602
  711   2HG2  THR 118          HG22      THR 118  -2.003   2.005   3.498
  712   3HG2  THR 118          HG23      THR 118  -0.261   1.728   3.452
  713    H    PHE 119           HN       PHE 119   2.100   4.818   6.521
  714    HA   PHE 119           HA       PHE 119   0.577   7.135   7.341
  715   1HB   PHE 119          HB2       PHE 119   3.380   6.245   8.086
  716   2HB   PHE 119          HB3       PHE 119   2.516   7.590   8.827
  717    HD1  PHE 119           HD1      PHE 119   0.411   7.119  10.109
  718    HD2  PHE 119           HD2      PHE 119   3.029   4.034   8.795
  719    HE1  PHE 119           HE1      PHE 119  -0.583   5.578  11.752
  720    HE2  PHE 119           HE2      PHE 119   2.040   2.489  10.431
  721    HZ   PHE 119           HZ       PHE 119   0.169   3.250  11.867
  722    H    ILE 120           HN       ILE 120   0.624   7.570   4.931
  723    HA   ILE 120           HA       ILE 120   2.933   9.236   4.179
  724    HB   ILE 120           HB       ILE 120   1.403   7.535   2.202
  725   1HG1  ILE 120          HG12      ILE 120   3.958   6.722   3.603
  726   2HG1  ILE 120          HG13      ILE 120   2.368   6.101   4.029
  727   1HG2  ILE 120          HG21      ILE 120   4.130   8.820   2.185
  728   2HG2  ILE 120          HG22      ILE 120   3.551   7.711   0.940
  729   3HG2  ILE 120          HG23      ILE 120   2.735   9.252   1.197
  730   1HD1  ILE 120          HD11      ILE 120   2.157   5.149   1.782
  731   2HD1  ILE 120          HD12      ILE 120   3.771   5.747   1.392
  732   3HD1  ILE 120          HD13      ILE 120   3.563   4.524   2.647
  733    H    SER 121           HN       SER 121   2.167  10.543   2.096
  734    HA   SER 121           HA       SER 121   0.016  12.187   2.995
  735   1HB   SER 121          HB2       SER 121   1.520  12.288   0.381
  736   2HB   SER 121          HB3       SER 121   0.625  13.605   1.139
  737    HG   SER 121           HG       SER 121   2.977  13.605   1.456
  738    H    LEU 122           HN       LEU 122  -0.872   9.518   2.283
  739    HA   LEU 122           HA       LEU 122  -2.533  10.109  -0.065
  740   1HB   LEU 122          HB2       LEU 122  -1.316   7.552   0.883
  741   2HB   LEU 122          HB3       LEU 122  -2.742   7.536  -0.134
  742    HG   LEU 122           HG       LEU 122  -1.162   9.133  -1.607
  743   1HD1  LEU 122          HD11      LEU 122   0.698   8.975  -0.033
  744   2HD1  LEU 122          HD12      LEU 122   0.698   7.219  -0.218
  745   3HD1  LEU 122          HD13      LEU 122   1.098   8.250  -1.592
  746   1HD2  LEU 122          HD21      LEU 122  -2.357   7.073  -2.279
  747   2HD2  LEU 122          HD22      LEU 122  -0.744   7.207  -2.987
  748   3HD2  LEU 122          HD23      LEU 122  -1.026   6.122  -1.623
  749    H    ALA 123           HN       ALA 123  -4.553  10.399   0.347
  750    HA   ALA 123           HA       ALA 123  -6.364   8.626   1.150
  751   1HB   ALA 123          HB1       ALA 123  -5.399   8.500   3.409
  752   2HB   ALA 123          HB2       ALA 123  -5.698  10.228   3.630
  753   3HB   ALA 123          HB3       ALA 123  -7.054   9.111   3.446
  754    H    GLY 124           HN       GLY 124  -5.964  10.834  -0.540
  755   1HA   GLY 124          HA1       GLY 124  -7.407  12.424  -1.462
  756   2HA   GLY 124          HA2       GLY 124  -8.348  12.408   0.028
  757    H    SER 125           HN       SER 125  -7.758  13.713   1.734
  758    HA   SER 125           HA       SER 125  -5.273  15.193   1.649
  759   1HB   SER 125          HB2       SER 125  -7.948  16.620   1.623
  760   2HB   SER 125          HB3       SER 125  -6.390  17.394   1.917
  761    HG   SER 125           HG       SER 125  -6.366  15.887  -0.352
  Start of MODEL    7
    1   1H    GLY  30           H1       GLY  30  20.787   6.883  -0.273
    2   2H    GLY  30           H2       GLY  30  19.983   6.049  -1.510
    3   3H    GLY  30           H3       GLY  30  20.226   5.306  -0.004
    4   1HA   GLY  30          HA2       GLY  30  17.949   6.024  -0.192
    5   2HA   GLY  30          HA1       GLY  30  18.787   6.938   1.056
    6    H    SER  31           HN       SER  31  16.427   7.549  -0.676
    7    HA   SER  31           HA       SER  31  17.408   9.782  -2.290
    8   1HB   SER  31          HB2       SER  31  14.574   8.759  -1.941
    9   2HB   SER  31          HB3       SER  31  15.144   9.893  -3.167
   10    HG   SER  31           HG       SER  31  16.678   7.926  -3.574
   11    H    HIS  32           HN       HIS  32  18.095  10.601  -0.041
   12    HA   HIS  32           HA       HIS  32  16.278  11.389   1.905
   13   1HB   HIS  32          HB2       HIS  32  18.096  13.065   2.573
   14   2HB   HIS  32          HB3       HIS  32  18.512  11.357   2.577
   15    HD1  HIS  32           HD1      HIS  32  20.533  10.701   1.315
   16    HD2  HIS  32           HD2      HIS  32  19.146  14.468   0.201
   17    HE1  HIS  32           HE1      HIS  32  22.245  11.614  -0.286
   18    HE2  HIS  32           HE2      HIS  32  21.325  13.827  -1.056
   19    H    MET  33           HN       MET  33  16.926  12.933  -1.146
   20    HA   MET  33           HA       MET  33  15.966  15.509  -0.426
   21   1HB   MET  33          HB2       MET  33  16.059  14.139  -3.112
   22   2HB   MET  33          HB3       MET  33  15.585  15.816  -2.886
   23   1HG   MET  33          HG2       MET  33  17.807  16.272  -1.912
   24   2HG   MET  33          HG3       MET  33  18.271  14.609  -2.263
   25   1HE   MET  33          HE1       MET  33  20.386  15.417  -3.652
   26   2HE   MET  33          HE2       MET  33  20.300  16.617  -4.942
   27   3HE   MET  33          HE3       MET  33  19.971  17.091  -3.275
   28    H    LEU  34           HN       LEU  34  14.456  12.541  -1.196
   29    HA   LEU  34           HA       LEU  34  11.818  13.809  -1.347
   30   1HB   LEU  34          HB2       LEU  34  12.630  10.980  -1.994
   31   2HB   LEU  34          HB3       LEU  34  11.020  11.647  -2.182
   32    HG   LEU  34           HG       LEU  34  13.462  12.556  -3.708
   33   1HD1  LEU  34          HD11      LEU  34  12.402  11.485  -5.631
   34   2HD1  LEU  34          HD12      LEU  34  12.752  10.313  -4.359
   35   3HD1  LEU  34          HD13      LEU  34  11.104  10.895  -4.592
   36   1HD2  LEU  34          HD21      LEU  34  11.844  14.353  -3.368
   37   2HD2  LEU  34          HD22      LEU  34  11.862  13.834  -5.053
   38   3HD2  LEU  34          HD23      LEU  34  10.555  13.320  -3.985
   39    H    GLU  35           HN       GLU  35  13.582  11.219   0.225
   40    HA   GLU  35           HA       GLU  35  11.567  10.366   1.978
   41   1HB   GLU  35          HB2       GLU  35  14.565  10.172   2.035
   42   2HB   GLU  35          HB3       GLU  35  13.584   9.529   3.346
   43   1HG   GLU  35          HG2       GLU  35  12.565   7.942   1.965
   44   2HG   GLU  35          HG3       GLU  35  13.106   8.754   0.492
   45    H    GLN  36           HN       GLN  36  14.446  12.264   2.797
   46    HA   GLN  36           HA       GLN  36  14.852  13.935   4.257
   47   1HB   GLN  36          HB2       GLN  36  11.881  14.366   4.528
   48   2HB   GLN  36          HB3       GLN  36  13.175  15.540   4.735
   49   1HG   GLN  36          HG2       GLN  36  13.691  15.291   2.313
   50   2HG   GLN  36          HG3       GLN  36  12.259  14.269   2.172
   51   1HE2  GLN  36          HE21      GLN  36  11.315  15.687   0.723
   52   2HE2  GLN  36          HE22      GLN  36  10.640  17.203   1.218
   53    H    LYS  37           HN       LYS  37  11.786  12.641   5.508
   54    HA   LYS  37           HA       LYS  37  13.222  11.841   7.952
   55   1HB   LYS  37          HB2       LYS  37  11.713  13.812   8.276
   56   2HB   LYS  37          HB3       LYS  37  10.362  12.805   7.779
   57   1HG   LYS  37          HG2       LYS  37  10.869  11.290   9.688
   58   2HG   LYS  37          HG3       LYS  37  12.088  12.451  10.221
   59   1HD   LYS  37          HD2       LYS  37  10.076  12.864  11.452
   60   2HD   LYS  37          HD3       LYS  37  10.299  14.186  10.304
   61   1HE   LYS  37          HE2       LYS  37   8.767  12.874   8.746
   62   2HE   LYS  37          HE3       LYS  37   8.374  11.881  10.148
   63   1HZ   LYS  37          HZ1       LYS  37   6.739  13.569   9.977
   64   2HZ   LYS  37          HZ2       LYS  37   7.910  14.786   9.811
   65   3HZ   LYS  37          HZ3       LYS  37   7.731  13.987  11.293
   66    H    LYS  38           HN       LYS  38  11.127  10.995   5.371
   67    HA   LYS  38           HA       LYS  38  10.040   8.678   6.741
   68   1HB   LYS  38          HB2       LYS  38   8.760   8.283   4.728
   69   2HB   LYS  38          HB3       LYS  38   8.603   9.969   5.204
   70   1HG   LYS  38          HG2       LYS  38  10.039  10.667   3.439
   71   2HG   LYS  38          HG3       LYS  38  10.470   8.992   3.055
   72   1HD   LYS  38          HD2       LYS  38   8.369   8.529   2.171
   73   2HD   LYS  38          HD3       LYS  38   7.611   9.895   2.987
   74   1HE   LYS  38          HE2       LYS  38   9.692  10.256   0.854
   75   2HE   LYS  38          HE3       LYS  38   7.981  10.072   0.470
   76   1HZ   LYS  38          HZ1       LYS  38   8.516  12.389   0.595
   77   2HZ   LYS  38          HZ2       LYS  38   9.202  12.209   2.131
   78   3HZ   LYS  38          HZ3       LYS  38   7.533  11.997   1.919
   79    H    ALA  39           HN       ALA  39  10.038   6.603   5.353
   80    HA   ALA  39           HA       ALA  39  12.788   5.989   4.642
   81   1HB   ALA  39          HB1       ALA  39  11.547   4.380   6.014
   82   2HB   ALA  39          HB2       ALA  39  10.351   4.202   4.728
   83   3HB   ALA  39          HB3       ALA  39  12.014   3.673   4.466
   84    H    ASN  40           HN       ASN  40  12.900   4.485   2.584
   85    HA   ASN  40           HA       ASN  40  12.424   6.211   0.433
   86   1HB   ASN  40          HB2       ASN  40  14.172   4.410   0.631
   87   2HB   ASN  40          HB3       ASN  40  12.934   3.257   0.170
   88   1HD2  ASN  40          HD21      ASN  40  14.732   6.085  -0.854
   89   2HD2  ASN  40          HD22      ASN  40  14.518   5.832  -2.558
   90    H    ILE  41           HN       ILE  41  10.770   6.516  -0.824
   91    HA   ILE  41           HA       ILE  41   8.369   4.964  -0.291
   92    HB   ILE  41           HB       ILE  41   8.558   7.543  -0.174
   93   1HG1  ILE  41          HG12      ILE  41   6.215   7.774  -1.034
   94   2HG1  ILE  41          HG13      ILE  41   6.339   6.120  -1.628
   95   1HG2  ILE  41          HG21      ILE  41   8.034   8.711  -2.256
   96   2HG2  ILE  41          HG22      ILE  41   9.603   7.910  -2.321
   97   3HG2  ILE  41          HG23      ILE  41   8.215   7.196  -3.142
   98   1HD1  ILE  41          HD11      ILE  41   6.571   7.013   1.228
   99   2HD1  ILE  41          HD12      ILE  41   5.213   6.155   0.497
  100   3HD1  ILE  41          HD13      ILE  41   6.780   5.357   0.661
  101    H    TYR  42           HN       TYR  42   7.159   3.967  -1.924
  102    HA   TYR  42           HA       TYR  42   8.509   3.787  -4.531
  103   1HB   TYR  42          HB2       TYR  42   7.286   1.514  -2.954
  104   2HB   TYR  42          HB3       TYR  42   7.925   1.386  -4.590
  105    HD1  TYR  42           HD1      TYR  42   8.694   1.305  -1.089
  106    HD2  TYR  42           HD2      TYR  42  10.398   1.823  -4.951
  107    HE1  TYR  42           HE1      TYR  42  10.917   0.809  -0.167
  108    HE2  TYR  42           HE2      TYR  42  12.628   1.328  -4.041
  109    HH   TYR  42           HH       TYR  42  13.102  -0.074  -1.042
  110    H    LYS  43           HN       LYS  43   7.252   3.686  -6.291
  111    HA   LYS  43           HA       LYS  43   4.331   3.751  -5.891
  112   1HB   LYS  43          HB2       LYS  43   4.878   5.790  -6.927
  113   2HB   LYS  43          HB3       LYS  43   6.139   5.063  -7.913
  114   1HG   LYS  43          HG2       LYS  43   4.344   5.632  -9.352
  115   2HG   LYS  43          HG3       LYS  43   4.332   3.876  -9.186
  116   1HD   LYS  43          HD2       LYS  43   2.097   4.405  -8.952
  117   2HD   LYS  43          HD3       LYS  43   2.638   4.347  -7.272
  118   1HE   LYS  43          HE2       LYS  43   1.327   6.304  -7.497
  119   2HE   LYS  43          HE3       LYS  43   3.011   6.824  -7.425
  120   1HZ   LYS  43          HZ1       LYS  43   1.230   6.695  -9.789
  121   2HZ   LYS  43          HZ2       LYS  43   2.915   6.823  -9.942
  122   3HZ   LYS  43          HZ3       LYS  43   2.041   8.045  -9.153
  123    H    GLY  44           HN       GLY  44   3.355   1.973  -6.417
  124   1HA   GLY  44          HA1       GLY  44   4.131   0.492  -8.792
  125   2HA   GLY  44          HA2       GLY  44   4.309  -0.368  -7.265
  126    H    LYS  45           HN       LYS  45   2.650  -1.578  -8.848
  127    HA   LYS  45           HA       LYS  45  -0.014  -0.648  -8.025
  128   1HB   LYS  45          HB2       LYS  45   0.868  -2.082 -10.511
  129   2HB   LYS  45          HB3       LYS  45  -0.821  -2.068  -9.977
  130   1HG   LYS  45          HG2       LYS  45  -0.911   0.328 -10.119
  131   2HG   LYS  45          HG3       LYS  45   0.809   0.416 -10.481
  132   1HD   LYS  45          HD2       LYS  45  -0.869  -1.230 -12.277
  133   2HD   LYS  45          HD3       LYS  45  -1.067   0.522 -12.367
  134   1HE   LYS  45          HE2       LYS  45   1.380   0.732 -12.653
  135   2HE   LYS  45          HE3       LYS  45   1.492  -1.028 -12.706
  136   1HZ   LYS  45          HZ1       LYS  45  -0.026   0.680 -14.602
  137   2HZ   LYS  45          HZ2       LYS  45   0.049  -1.015 -14.655
  138   3HZ   LYS  45          HZ3       LYS  45   1.445  -0.095 -14.923
  139    H    ILE  46           HN       ILE  46  -1.599  -2.215  -7.643
  140    HA   ILE  46           HA       ILE  46  -0.734  -4.366  -6.020
  141    HB   ILE  46           HB       ILE  46  -3.352  -3.328  -6.995
  142   1HG1  ILE  46          HG12      ILE  46  -3.856  -3.488  -4.551
  143   2HG1  ILE  46          HG13      ILE  46  -2.234  -4.122  -4.297
  144   1HG2  ILE  46          HG21      ILE  46  -3.519  -5.711  -7.447
  145   2HG2  ILE  46          HG22      ILE  46  -3.009  -6.072  -5.797
  146   3HG2  ILE  46          HG23      ILE  46  -4.541  -5.251  -6.087
  147   1HD1  ILE  46          HD11      ILE  46  -2.926  -1.398  -5.370
  148   2HD1  ILE  46          HD12      ILE  46  -2.343  -1.770  -3.747
  149   3HD1  ILE  46          HD13      ILE  46  -1.295  -2.030  -5.141
  150    H    THR  47           HN       THR  47  -0.510  -6.487  -6.464
  151    HA   THR  47           HA       THR  47  -1.169  -7.361  -9.198
  152    HB   THR  47           HB       THR  47   0.843  -8.812  -9.094
  153    HG1  THR  47           HG1      THR  47   1.716  -7.204  -6.935
  154   1HG2  THR  47          HG21      THR  47   0.828  -6.627 -10.202
  155   2HG2  THR  47          HG22      THR  47   2.401  -6.972  -9.481
  156   3HG2  THR  47          HG23      THR  47   1.285  -5.863  -8.678
  157    H    ARG  48           HN       ARG  48  -1.271  -8.000  -5.831
  158    HA   ARG  48           HA       ARG  48  -3.024 -10.241  -6.395
  159   1HB   ARG  48          HB2       ARG  48  -0.746 -11.223  -6.018
  160   2HB   ARG  48          HB3       ARG  48  -0.763 -10.508  -4.408
  161   1HG   ARG  48          HG2       ARG  48  -2.974 -11.765  -4.070
  162   2HG   ARG  48          HG3       ARG  48  -2.492 -12.709  -5.477
  163   1HD   ARG  48          HD2       ARG  48  -0.561 -12.341  -3.243
  164   2HD   ARG  48          HD3       ARG  48  -1.891 -13.480  -3.039
  165    HE   ARG  48           HE       ARG  48  -0.176 -13.732  -5.408
  166   1HH1  ARG  48          HH1       ARG  48  -1.315 -14.947  -2.330
  167   2HH1  ARG  48          HH1       ARG  48  -0.516 -16.481  -2.480
  168   1HH2  ARG  48          HH2       ARG  48   0.870 -15.761  -5.636
  169   2HH2  ARG  48          HH2       ARG  48   0.722 -16.947  -4.380
  170    H    ILE  49           HN       ILE  49  -4.814  -9.865  -5.306
  171    HA   ILE  49           HA       ILE  49  -4.602  -8.813  -2.571
  172    HB   ILE  49           HB       ILE  49  -6.760  -8.107  -4.574
  173   1HG1  ILE  49          HG12      ILE  49  -4.784  -6.305  -3.190
  174   2HG1  ILE  49          HG13      ILE  49  -4.532  -6.928  -4.820
  175   1HG2  ILE  49          HG21      ILE  49  -7.676  -8.365  -2.346
  176   2HG2  ILE  49          HG22      ILE  49  -6.409  -7.327  -1.688
  177   3HG2  ILE  49          HG23      ILE  49  -7.615  -6.656  -2.784
  178   1HD1  ILE  49          HD11      ILE  49  -6.723  -5.098  -3.871
  179   2HD1  ILE  49          HD12      ILE  49  -5.402  -4.725  -4.987
  180   3HD1  ILE  49          HD13      ILE  49  -6.679  -5.844  -5.471
  181    H    GLU  50           HN       GLU  50  -5.112 -10.434  -1.291
  182    HA   GLU  50           HA       GLU  50  -6.979 -12.473  -2.288
  183   1HB   GLU  50          HB2       GLU  50  -4.531 -12.953  -1.530
  184   2HB   GLU  50          HB3       GLU  50  -5.180 -12.808   0.096
  185   1HG   GLU  50          HG2       GLU  50  -6.610 -14.665  -0.214
  186   2HG   GLU  50          HG3       GLU  50  -6.305 -14.692  -1.951
  187    HA   PRO  51           HA       PRO  51  -9.927 -10.544   0.325
  188   1HB   PRO  51          HB2       PRO  51 -11.579 -12.937   0.033
  189   2HB   PRO  51          HB3       PRO  51 -11.856 -11.305  -0.576
  190   1HG   PRO  51          HG2       PRO  51 -11.231 -13.410  -2.178
  191   2HG   PRO  51          HG3       PRO  51 -10.829 -11.732  -2.568
  192   1HD   PRO  51          HD2       PRO  51  -9.082 -13.914  -1.540
  193   2HD   PRO  51          HD3       PRO  51  -8.701 -12.586  -2.654
  194    H    SER  52           HN       SER  52  -8.908 -13.855   0.901
  195    HA   SER  52           HA       SER  52 -10.247 -14.055   3.422
  196   1HB   SER  52          HB2       SER  52  -9.800 -16.026   1.984
  197   2HB   SER  52          HB3       SER  52  -8.074 -15.821   2.280
  198    HG   SER  52           HG       SER  52  -8.766 -15.946   4.611
  199    H    LEU  53           HN       LEU  53  -7.389 -12.512   2.474
  200    HA   LEU  53           HA       LEU  53  -6.495 -12.557   5.268
  201   1HB   LEU  53          HB2       LEU  53  -4.138 -12.348   4.434
  202   2HB   LEU  53          HB3       LEU  53  -4.905 -13.904   4.203
  203    HG   LEU  53           HG       LEU  53  -5.361 -13.159   1.806
  204   1HD1  LEU  53          HD11      LEU  53  -3.875 -11.450   0.905
  205   2HD1  LEU  53          HD12      LEU  53  -4.974 -10.771   2.106
  206   3HD1  LEU  53          HD13      LEU  53  -3.293 -11.092   2.531
  207   1HD2  LEU  53          HD21      LEU  53  -3.682 -14.805   2.392
  208   2HD2  LEU  53          HD22      LEU  53  -3.099 -13.763   1.094
  209   3HD2  LEU  53          HD23      LEU  53  -2.522 -13.523   2.744
  210    H    GLU  54           HN       GLU  54  -7.773 -10.593   2.986
  211    HA   GLU  54           HA       GLU  54  -7.962  -8.360   2.781
  212   1HB   GLU  54          HB2       GLU  54  -8.252  -7.162   4.926
  213   2HB   GLU  54          HB3       GLU  54  -9.147  -8.668   4.842
  214   1HG   GLU  54          HG2       GLU  54  -7.476  -9.752   6.243
  215   2HG   GLU  54          HG3       GLU  54  -6.543  -8.258   6.298
  216    H    ALA  55           HN       ALA  55  -5.634  -8.804   1.833
  217    HA   ALA  55           HA       ALA  55  -4.188  -6.435   2.455
  218   1HB   ALA  55          HB1       ALA  55  -2.065  -7.459   3.047
  219   2HB   ALA  55          HB2       ALA  55  -3.313  -7.886   4.217
  220   3HB   ALA  55          HB3       ALA  55  -2.808  -9.058   2.998
  221    H    ALA  56           HN       ALA  56  -2.316  -6.137   0.962
  222    HA   ALA  56           HA       ALA  56  -2.833  -7.566  -1.571
  223   1HB   ALA  56          HB1       ALA  56  -2.751  -5.447  -2.767
  224   2HB   ALA  56          HB2       ALA  56  -4.041  -5.450  -1.566
  225   3HB   ALA  56          HB3       ALA  56  -2.539  -4.587  -1.244
  226    H    PHE  57           HN       PHE  57  -1.161  -8.013  -2.825
  227    HA   PHE  57           HA       PHE  57   1.525  -7.240  -1.991
  228   1HB   PHE  57          HB2       PHE  57   0.441  -9.210  -3.995
  229   2HB   PHE  57          HB3       PHE  57   2.140  -8.752  -3.996
  230    HD1  PHE  57           HD1      PHE  57   3.498  -9.206  -1.918
  231    HD2  PHE  57           HD2      PHE  57  -0.387 -10.820  -2.525
  232    HE1  PHE  57           HE1      PHE  57   3.939 -10.902  -0.189
  233    HE2  PHE  57           HE2      PHE  57   0.043 -12.521  -0.802
  234    HZ   PHE  57           HZ       PHE  57   2.235 -12.602   0.323
  235    H    VAL  58           HN       VAL  58   2.622  -5.669  -2.926
  236    HA   VAL  58           HA       VAL  58   1.624  -4.586  -5.482
  237    HB   VAL  58           HB       VAL  58   3.265  -3.202  -3.341
  238   1HG1  VAL  58          HG11      VAL  58   3.289  -1.247  -4.716
  239   2HG1  VAL  58          HG12      VAL  58   3.923  -2.580  -5.679
  240   3HG1  VAL  58          HG13      VAL  58   2.271  -2.023  -5.931
  241   1HG2  VAL  58          HG21      VAL  58   0.481  -2.694  -4.386
  242   2HG2  VAL  58          HG22      VAL  58   0.895  -3.367  -2.806
  243   3HG2  VAL  58          HG23      VAL  58   1.332  -1.702  -3.201
  244    H    ASP  59           HN       ASP  59   2.871  -4.632  -7.218
  245    HA   ASP  59           HA       ASP  59   5.491  -5.917  -6.938
  246   1HB   ASP  59          HB2       ASP  59   3.678  -6.938  -8.387
  247   2HB   ASP  59          HB3       ASP  59   3.878  -5.543  -9.464
  248    H    TYR  60           HN       TYR  60   6.808  -4.187  -6.497
  249    HA   TYR  60           HA       TYR  60   7.218  -2.387  -8.788
  250   1HB   TYR  60          HB2       TYR  60   8.066  -0.700  -7.111
  251   2HB   TYR  60          HB3       TYR  60   6.345  -1.032  -6.983
  252    HD1  TYR  60           HD1      TYR  60   5.584  -2.674  -5.164
  253    HD2  TYR  60           HD2      TYR  60   9.466  -0.951  -5.239
  254    HE1  TYR  60           HE1      TYR  60   5.845  -3.167  -2.773
  255    HE2  TYR  60           HE2      TYR  60   9.742  -1.445  -2.853
  256    HH   TYR  60           HH       TYR  60   7.684  -3.501  -1.151
  257    H    GLY  61           HN       GLY  61   8.539  -4.376  -9.318
  258   1HA   GLY  61          HA1       GLY  61  10.545  -5.493  -9.459
  259   2HA   GLY  61          HA2       GLY  61  11.283  -4.016  -8.860
  260    H    ALA  62           HN       ALA  62   8.940  -5.278  -6.759
  261    HA   ALA  62           HA       ALA  62  10.982  -5.881  -4.805
  262   1HB   ALA  62          HB1       ALA  62   7.972  -5.948  -4.521
  263   2HB   ALA  62          HB2       ALA  62   9.148  -6.033  -3.203
  264   3HB   ALA  62          HB3       ALA  62   9.002  -4.560  -4.165
  265    H    GLU  63           HN       GLU  63  11.870  -7.799  -4.802
  266    HA   GLU  63           HA       GLU  63  10.656 -10.086  -6.017
  267   1HB   GLU  63          HB2       GLU  63  13.166  -9.831  -4.355
  268   2HB   GLU  63          HB3       GLU  63  12.718 -11.232  -5.322
  269   1HG   GLU  63          HG2       GLU  63  12.978 -10.052  -7.339
  270   2HG   GLU  63          HG3       GLU  63  13.047  -8.498  -6.510
  271    H    ARG  64           HN       ARG  64  10.748  -8.751  -2.859
  272    HA   ARG  64           HA       ARG  64   9.653 -11.200  -1.713
  273   1HB   ARG  64          HB2       ARG  64  10.344  -8.551  -0.439
  274   2HB   ARG  64          HB3       ARG  64   9.676  -9.928   0.427
  275   1HG   ARG  64          HG2       ARG  64  12.271 -10.010  -1.094
  276   2HG   ARG  64          HG3       ARG  64  12.151  -9.648   0.627
  277   1HD   ARG  64          HD2       ARG  64  12.708 -11.981   0.317
  278   2HD   ARG  64          HD3       ARG  64  11.089 -11.838   0.992
  279    HE   ARG  64           HE       ARG  64  10.876 -12.007  -1.795
  280   1HH1  ARG  64          HH1       ARG  64  11.942 -14.022   0.867
  281   2HH1  ARG  64          HH1       ARG  64  11.384 -15.501   0.134
  282   1HH2  ARG  64          HH2       ARG  64  10.150 -13.940  -2.760
  283   2HH2  ARG  64          HH2       ARG  64  10.334 -15.448  -1.916
  284    H    HIS  65           HN       HIS  65   8.599  -8.597  -3.406
  285    HA   HIS  65           HA       HIS  65   6.611  -7.621  -3.861
  286   1HB   HIS  65          HB2       HIS  65   5.983 -10.363  -3.137
  287   2HB   HIS  65          HB3       HIS  65   4.637  -9.272  -2.809
  288    HD1  HIS  65           HD1      HIS  65   3.217 -10.165  -4.768
  289    HD2  HIS  65           HD2      HIS  65   6.916  -8.678  -5.920
  290    HE1  HIS  65           HE1      HIS  65   3.081  -9.875  -7.253
  291    HE2  HIS  65           HE2      HIS  65   5.317  -8.934  -7.937
  292    H    GLY  66           HN       GLY  66   6.278  -5.784  -2.839
  293   1HA   GLY  66          HA1       GLY  66   6.193  -5.459  -0.050
  294   2HA   GLY  66          HA2       GLY  66   5.609  -4.287  -1.224
  295    H    PHE  67           HN       PHE  67   4.673  -5.911   1.376
  296    HA   PHE  67           HA       PHE  67   2.006  -6.575   0.328
  297   1HB   PHE  67          HB2       PHE  67   3.507  -8.393   1.337
  298   2HB   PHE  67          HB3       PHE  67   3.194  -7.620   2.879
  299    HD1  PHE  67           HD1      PHE  67   0.937  -8.259   0.006
  300    HD2  PHE  67           HD2      PHE  67   1.848  -9.097   4.077
  301    HE1  PHE  67           HE1      PHE  67  -1.120  -9.590   0.186
  302    HE2  PHE  67           HE2      PHE  67  -0.214 -10.431   4.265
  303    HZ   PHE  67           HZ       PHE  67  -1.707 -10.675   2.312
  304    H    LEU  68           HN       LEU  68   0.708  -4.947   0.689
  305    HA   LEU  68           HA       LEU  68   0.899  -3.333   3.108
  306   1HB   LEU  68          HB2       LEU  68   0.228  -2.772   0.475
  307   2HB   LEU  68          HB3       LEU  68  -1.315  -2.776   1.300
  308    HG   LEU  68           HG       LEU  68   1.045  -1.018   1.924
  309   1HD1  LEU  68          HD11      LEU  68  -0.192  -0.332  -0.035
  310   2HD1  LEU  68          HD12      LEU  68  -1.714  -0.449   0.849
  311   3HD1  LEU  68          HD13      LEU  68  -0.524   0.770   1.300
  312   1HD2  LEU  68          HD21      LEU  68  -0.381   0.015   3.612
  313   2HD2  LEU  68          HD22      LEU  68  -1.627  -1.199   3.311
  314   3HD2  LEU  68          HD23      LEU  68  -0.068  -1.680   3.987
  315    HA   PRO  69           HA       PRO  69  -2.542  -5.682   4.957
  316   1HB   PRO  69          HB2       PRO  69  -2.133  -3.609   7.029
  317   2HB   PRO  69          HB3       PRO  69  -2.177  -5.366   7.198
  318   1HG   PRO  69          HG2       PRO  69   0.121  -4.021   7.410
  319   2HG   PRO  69          HG3       PRO  69   0.055  -5.607   6.617
  320   1HD   PRO  69          HD2       PRO  69   0.171  -2.876   5.382
  321   2HD   PRO  69          HD3       PRO  69   1.031  -4.361   4.918
  322    H    LEU  70           HN       LEU  70  -4.635  -5.220   4.715
  323    HA   LEU  70           HA       LEU  70  -5.552  -2.943   3.402
  324   1HB   LEU  70          HB2       LEU  70  -6.879  -4.816   3.183
  325   2HB   LEU  70          HB3       LEU  70  -6.835  -5.174   4.886
  326    HG   LEU  70           HG       LEU  70  -8.340  -3.215   5.273
  327   1HD1  LEU  70          HD11      LEU  70  -7.888  -1.932   3.303
  328   2HD1  LEU  70          HD12      LEU  70  -8.463  -3.242   2.269
  329   3HD1  LEU  70          HD13      LEU  70  -9.592  -2.384   3.316
  330   1HD2  LEU  70          HD21      LEU  70  -9.259  -5.414   5.266
  331   2HD2  LEU  70          HD22      LEU  70 -10.353  -4.361   4.371
  332   3HD2  LEU  70          HD23      LEU  70  -9.279  -5.457   3.502
  333    H    LYS  71           HN       LYS  71  -5.276  -3.606   6.819
  334    HA   LYS  71           HA       LYS  71  -6.993  -1.516   7.673
  335   1HB   LYS  71          HB2       LYS  71  -6.093  -1.943   9.888
  336   2HB   LYS  71          HB3       LYS  71  -6.422  -3.462   9.066
  337   1HG   LYS  71          HG2       LYS  71  -4.047  -3.699   8.551
  338   2HG   LYS  71          HG3       LYS  71  -3.719  -2.171   9.371
  339   1HD   LYS  71          HD2       LYS  71  -4.687  -3.162  11.446
  340   2HD   LYS  71          HD3       LYS  71  -4.786  -4.708  10.601
  341   1HE   LYS  71          HE2       LYS  71  -2.769  -4.723  11.877
  342   2HE   LYS  71          HE3       LYS  71  -2.324  -4.537  10.181
  343   1HZ   LYS  71          HZ1       LYS  71  -1.040  -3.029  11.509
  344   2HZ   LYS  71          HZ2       LYS  71  -2.431  -2.384  12.230
  345   3HZ   LYS  71          HZ3       LYS  71  -2.134  -2.118  10.581
  346    H    GLU  72           HN       GLU  72  -3.980  -1.383   6.219
  347    HA   GLU  72           HA       GLU  72  -3.233   1.137   7.545
  348   1HB   GLU  72          HB2       GLU  72  -1.603  -0.352   5.488
  349   2HB   GLU  72          HB3       GLU  72  -1.053   0.859   6.640
  350   1HG   GLU  72          HG2       GLU  72  -2.050  -1.875   7.398
  351   2HG   GLU  72          HG3       GLU  72  -0.354  -1.461   7.161
  352    H    ILE  73           HN       ILE  73  -4.934   0.027   4.910
  353    HA   ILE  73           HA       ILE  73  -3.819   1.396   2.736
  354    HB   ILE  73           HB       ILE  73  -6.623   0.371   3.161
  355   1HG1  ILE  73          HG12      ILE  73  -4.184  -0.703   1.741
  356   2HG1  ILE  73          HG13      ILE  73  -5.021  -1.404   3.118
  357   1HG2  ILE  73          HG21      ILE  73  -5.381   1.355   0.599
  358   2HG2  ILE  73          HG22      ILE  73  -6.963   0.594   0.760
  359   3HG2  ILE  73          HG23      ILE  73  -6.659   2.167   1.502
  360   1HD1  ILE  73          HD11      ILE  73  -6.976  -1.800   1.673
  361   2HD1  ILE  73          HD12      ILE  73  -6.054  -1.182   0.306
  362   3HD1  ILE  73          HD13      ILE  73  -5.529  -2.649   1.133
  363    H    ALA  74           HN       ALA  74  -3.993   3.362   1.940
  364    HA   ALA  74           HA       ALA  74  -5.238   5.451   3.460
  365   1HB   ALA  74          HB1       ALA  74  -4.303   6.946   1.765
  366   2HB   ALA  74          HB2       ALA  74  -3.089   5.801   2.339
  367   3HB   ALA  74          HB3       ALA  74  -3.860   5.555   0.772
  368    H    ARG  75           HN       ARG  75  -7.024   6.577   3.022
  369    HA   ARG  75           HA       ARG  75  -9.109   5.542   1.518
  370   1HB   ARG  75          HB2       ARG  75  -9.383   7.094   3.408
  371   2HB   ARG  75          HB3       ARG  75  -8.733   8.399   2.428
  372   1HG   ARG  75          HG2       ARG  75 -10.626   8.543   1.122
  373   2HG   ARG  75          HG3       ARG  75 -11.129   6.890   1.479
  374   1HD   ARG  75          HD2       ARG  75 -12.549   8.587   2.576
  375   2HD   ARG  75          HD3       ARG  75 -11.753   7.512   3.719
  376    HE   ARG  75           HE       ARG  75 -10.093   9.679   3.541
  377   1HH1  ARG  75          HH1       ARG  75 -13.457   9.187   4.332
  378   2HH1  ARG  75          HH1       ARG  75 -13.534  10.524   5.433
  379   1HH2  ARG  75          HH2       ARG  75 -10.178  11.460   4.993
  380   2HH2  ARG  75          HH2       ARG  75 -11.683  11.831   5.789
  381    H    GLU  76           HN       GLU  76  -6.383   7.282   0.327
  382    HA   GLU  76           HA       GLU  76  -7.459   8.678  -1.841
  383   1HB   GLU  76          HB2       GLU  76  -5.036   8.617  -1.088
  384   2HB   GLU  76          HB3       GLU  76  -4.892   7.092  -1.955
  385   1HG   GLU  76          HG2       GLU  76  -4.072   8.864  -3.350
  386   2HG   GLU  76          HG3       GLU  76  -5.582   8.251  -4.025
  387    H    TYR  77           HN       TYR  77  -7.103   5.284  -1.343
  388    HA   TYR  77           HA       TYR  77  -7.187   4.628  -4.165
  389   1HB   TYR  77          HB2       TYR  77  -7.185   2.745  -1.802
  390   2HB   TYR  77          HB3       TYR  77  -6.812   2.348  -3.479
  391    HD1  TYR  77           HD1      TYR  77  -4.895   4.000  -4.483
  392    HD2  TYR  77           HD2      TYR  77  -5.371   2.917  -0.403
  393    HE1  TYR  77           HE1      TYR  77  -2.531   4.536  -4.070
  394    HE2  TYR  77           HE2      TYR  77  -3.013   3.443   0.022
  395    HH   TYR  77           HH       TYR  77  -0.911   3.619  -1.238
  396    H    PHE  78           HN       PHE  78  -9.230   4.142  -1.303
  397    HA   PHE  78           HA       PHE  78 -11.475   3.774  -3.143
  398   1HB   PHE  78          HB2       PHE  78 -12.802   3.044  -1.243
  399   2HB   PHE  78          HB3       PHE  78 -11.320   2.109  -1.306
  400    HD1  PHE  78           HD1      PHE  78  -9.359   3.124   0.221
  401    HD2  PHE  78           HD2      PHE  78 -13.522   3.801   0.770
  402    HE1  PHE  78           HE1      PHE  78  -8.960   3.642   2.588
  403    HE2  PHE  78           HE2      PHE  78 -13.128   4.329   3.135
  404    HZ   PHE  78           HZ       PHE  78 -10.846   4.246   4.050
  405    HA   PRO  79           HA       PRO  79 -11.062   8.099  -3.407
  406   1HB   PRO  79          HB2       PRO  79 -13.869   8.429  -3.889
  407   2HB   PRO  79          HB3       PRO  79 -12.547   8.433  -5.057
  408   1HG   PRO  79          HG2       PRO  79 -14.307   6.214  -4.194
  409   2HG   PRO  79          HG3       PRO  79 -13.552   6.490  -5.776
  410   1HD   PRO  79          HD2       PRO  79 -12.593   4.583  -4.202
  411   2HD   PRO  79          HD3       PRO  79 -11.456   5.693  -5.018
  412    H    ALA  80           HN       ALA  80 -11.145   9.783  -2.170
  413    HA   ALA  80           HA       ALA  80 -11.737   9.668   0.504
  414   1HB   ALA  80          HB1       ALA  80 -10.262  11.285  -0.603
  415   2HB   ALA  80          HB2       ALA  80 -11.682  12.148  -1.188
  416   3HB   ALA  80          HB3       ALA  80 -11.369  12.042   0.544
  417    H    ASN  81           HN       ASN  81 -13.998  10.372  -2.056
  418    HA   ASN  81           HA       ASN  81 -15.936  11.516  -0.188
  419   1HB   ASN  81          HB2       ASN  81 -15.522  12.407  -2.556
  420   2HB   ASN  81          HB3       ASN  81 -16.391  10.987  -3.121
  421   1HD2  ASN  81          HD21      ASN  81 -17.991  12.321  -4.018
  422   2HD2  ASN  81          HD22      ASN  81 -19.196  13.078  -3.031
  423    H    TYR  82           HN       TYR  82 -14.951   8.543  -0.870
  424    HA   TYR  82           HA       TYR  82 -17.518   7.205  -1.031
  425   1HB   TYR  82          HB2       TYR  82 -15.398   6.346  -2.100
  426   2HB   TYR  82          HB3       TYR  82 -14.769   6.046  -0.487
  427    HD1  TYR  82           HD1      TYR  82 -17.466   5.077  -2.848
  428    HD2  TYR  82           HD2      TYR  82 -15.279   4.062   0.653
  429    HE1  TYR  82           HE1      TYR  82 -18.522   2.856  -2.844
  430    HE2  TYR  82           HE2      TYR  82 -16.319   1.838   0.665
  431    HH   TYR  82           HH       TYR  82 -18.394   0.773  -0.185
  432    H    SER  83           HN       SER  83 -18.637   6.418   0.688
  433    HA   SER  83           HA       SER  83 -18.106   7.531   3.219
  434   1HB   SER  83          HB2       SER  83 -20.006   5.773   3.820
  435   2HB   SER  83          HB3       SER  83 -20.358   7.236   2.901
  436    HG   SER  83           HG       SER  83 -19.938   4.601   1.906
  437    H    ALA  84           HN       ALA  84 -16.284   6.905   4.201
  438    HA   ALA  84           HA       ALA  84 -15.634   4.082   4.468
  439   1HB   ALA  84          HB1       ALA  84 -13.580   4.878   5.536
  440   2HB   ALA  84          HB2       ALA  84 -13.834   5.655   3.973
  441   3HB   ALA  84          HB3       ALA  84 -14.183   6.534   5.461
  442    H    HIS  85           HN       HIS  85 -17.888   4.182   5.653
  443    HA   HIS  85           HA       HIS  85 -17.756   5.128   8.372
  444   1HB   HIS  85          HB2       HIS  85 -20.053   4.269   8.582
  445   2HB   HIS  85          HB3       HIS  85 -19.880   5.288   7.163
  446    HD1  HIS  85           HD1      HIS  85 -21.209   2.121   8.226
  447    HD2  HIS  85           HD2      HIS  85 -19.603   3.627   4.696
  448    HE1  HIS  85           HE1      HIS  85 -21.983   0.563   6.405
  449    HE2  HIS  85           HE2      HIS  85 -20.808   1.366   4.324
  450    H    GLY  86           HN       GLY  86 -15.715   3.602   8.338
  451   1HA   GLY  86          HA1       GLY  86 -15.676   1.866  10.314
  452   2HA   GLY  86          HA2       GLY  86 -16.419   0.866   9.073
  453    H    ARG  87           HN       ARG  87 -15.052  -0.412   8.097
  454    HA   ARG  87           HA       ARG  87 -12.275   0.498   7.715
  455   1HB   ARG  87          HB2       ARG  87 -13.268  -2.330   8.132
  456   2HB   ARG  87          HB3       ARG  87 -11.596  -1.857   7.874
  457   1HG   ARG  87          HG2       ARG  87 -11.481  -0.778   9.980
  458   2HG   ARG  87          HG3       ARG  87 -13.228  -0.905  10.210
  459   1HD   ARG  87          HD2       ARG  87 -11.257  -3.187  10.102
  460   2HD   ARG  87          HD3       ARG  87 -12.091  -2.589  11.537
  461    HE   ARG  87           HE       ARG  87 -13.996  -3.297   9.584
  462   1HH1  ARG  87          HH1       ARG  87 -11.700  -4.807  11.773
  463   2HH1  ARG  87          HH1       ARG  87 -12.618  -6.276  11.916
  464   1HH2  ARG  87          HH2       ARG  87 -15.170  -5.237   9.746
  465   2HH2  ARG  87          HH2       ARG  87 -14.579  -6.529  10.745
  466    HA   PRO  88           HA       PRO  88 -13.178  -0.010   3.343
  467   1HB   PRO  88          HB2       PRO  88 -10.461  -0.302   2.687
  468   2HB   PRO  88          HB3       PRO  88 -11.382   1.201   2.660
  469   1HG   PRO  88          HG2       PRO  88  -9.477   0.179   4.679
  470   2HG   PRO  88          HG3       PRO  88  -9.879   1.854   4.253
  471   1HD   PRO  88          HD2       PRO  88 -10.742   0.650   6.529
  472   2HD   PRO  88          HD3       PRO  88 -11.655   1.923   5.690
  473    H    ASN  89           HN       ASN  89 -13.412  -1.807   2.049
  474    HA   ASN  89           HA       ASN  89 -12.198  -4.312   2.978
  475   1HB   ASN  89          HB2       ASN  89 -14.608  -4.412   2.603
  476   2HB   ASN  89          HB3       ASN  89 -14.399  -3.820   0.956
  477   1HD2  ASN  89          HD21      ASN  89 -13.648  -5.192  -0.622
  478   2HD2  ASN  89          HD22      ASN  89 -13.507  -6.903  -0.397
  479    H    ILE  90           HN       ILE  90 -10.465  -5.129   1.938
  480    HA   ILE  90           HA       ILE  90  -9.102  -3.335   0.318
  481    HB   ILE  90           HB       ILE  90  -7.941  -4.888   1.774
  482   1HG1  ILE  90          HG12      ILE  90  -6.994  -5.414  -1.019
  483   2HG1  ILE  90          HG13      ILE  90  -6.984  -3.783  -0.355
  484   1HG2  ILE  90          HG21      ILE  90  -8.687  -7.009  -0.236
  485   2HG2  ILE  90          HG22      ILE  90  -7.514  -7.208   1.066
  486   3HG2  ILE  90          HG23      ILE  90  -9.213  -6.918   1.445
  487   1HD1  ILE  90          HD11      ILE  90  -5.521  -6.182   0.699
  488   2HD1  ILE  90          HD12      ILE  90  -4.832  -4.753  -0.073
  489   3HD1  ILE  90          HD13      ILE  90  -5.597  -4.616   1.510
  490    H    LYS  91           HN       LYS  91 -10.577  -6.449  -0.737
  491    HA   LYS  91           HA       LYS  91  -9.836  -6.067  -3.439
  492   1HB   LYS  91          HB2       LYS  91 -12.014  -7.724  -2.204
  493   2HB   LYS  91          HB3       LYS  91 -11.756  -7.670  -3.940
  494   1HG   LYS  91          HG2       LYS  91  -9.256  -8.199  -3.111
  495   2HG   LYS  91          HG3       LYS  91 -10.180  -8.980  -1.829
  496   1HD   LYS  91          HD2       LYS  91  -9.790 -10.609  -3.526
  497   2HD   LYS  91          HD3       LYS  91 -11.492 -10.154  -3.614
  498   1HE   LYS  91          HE2       LYS  91 -11.034  -8.694  -5.496
  499   2HE   LYS  91          HE3       LYS  91  -9.309  -9.041  -5.372
  500   1HZ   LYS  91          HZ1       LYS  91 -10.379 -10.343  -7.117
  501   2HZ   LYS  91          HZ2       LYS  91 -11.422 -11.042  -5.978
  502   3HZ   LYS  91          HZ3       LYS  91  -9.755 -11.343  -5.900
  503    H    ASP  92           HN       ASP  92 -12.029  -4.246  -1.687
  504    HA   ASP  92           HA       ASP  92 -13.419  -3.422  -4.158
  505   1HB   ASP  92          HB2       ASP  92 -14.284  -3.330  -1.276
  506   2HB   ASP  92          HB3       ASP  92 -15.015  -2.270  -2.475
  507    H    VAL  93           HN       VAL  93 -10.844  -2.689  -2.459
  508    HA   VAL  93           HA       VAL  93 -11.169   0.241  -2.733
  509    HB   VAL  93           HB       VAL  93  -9.408  -1.325  -0.832
  510   1HG1  VAL  93          HG11      VAL  93  -8.669   0.838   0.026
  511   2HG1  VAL  93          HG12      VAL  93  -8.224   0.631  -1.668
  512   3HG1  VAL  93          HG13      VAL  93  -9.594   1.652  -1.236
  513   1HG2  VAL  93          HG21      VAL  93 -10.721  -0.171   0.907
  514   2HG2  VAL  93          HG22      VAL  93 -11.742   0.522  -0.350
  515   3HG2  VAL  93          HG23      VAL  93 -11.710  -1.223  -0.103
  516    H    LEU  94           HN       LEU  94  -8.780  -2.377  -2.774
  517    HA   LEU  94           HA       LEU  94  -7.220  -0.879  -4.755
  518   1HB   LEU  94          HB2       LEU  94  -6.477  -3.378  -3.225
  519   2HB   LEU  94          HB3       LEU  94  -5.427  -2.472  -4.290
  520    HG   LEU  94           HG       LEU  94  -6.511  -1.509  -1.645
  521   1HD1  LEU  94          HD11      LEU  94  -3.757  -2.367  -2.518
  522   2HD1  LEU  94          HD12      LEU  94  -4.159  -1.659  -0.952
  523   3HD1  LEU  94          HD13      LEU  94  -4.820  -3.229  -1.408
  524   1HD2  LEU  94          HD21      LEU  94  -4.646  -0.207  -3.622
  525   2HD2  LEU  94          HD22      LEU  94  -6.263   0.344  -3.176
  526   3HD2  LEU  94          HD23      LEU  94  -4.959   0.378  -1.988
  527    H    ARG  95           HN       ARG  95  -6.573  -1.936  -6.676
  528    HA   ARG  95           HA       ARG  95  -7.598  -4.601  -7.178
  529   1HB   ARG  95          HB2       ARG  95  -8.482  -3.961  -9.416
  530   2HB   ARG  95          HB3       ARG  95  -9.406  -3.296  -8.079
  531   1HG   ARG  95          HG2       ARG  95  -7.270  -1.615  -9.261
  532   2HG   ARG  95          HG3       ARG  95  -8.744  -1.863 -10.195
  533   1HD   ARG  95          HD2       ARG  95  -8.638  -0.834  -7.356
  534   2HD   ARG  95          HD3       ARG  95  -8.828   0.170  -8.793
  535    HE   ARG  95           HE       ARG  95 -10.852  -1.681  -8.931
  536   1HH1  ARG  95          HH1       ARG  95  -9.811   0.795  -6.698
  537   2HH1  ARG  95          HH1       ARG  95 -11.401   1.087  -6.073
  538   1HH2  ARG  95          HH2       ARG  95 -12.962  -1.299  -8.135
  539   2HH2  ARG  95          HH2       ARG  95 -13.208  -0.111  -6.890
  540    H    GLU  96           HN       GLU  96  -6.477  -5.704  -8.789
  541    HA   GLU  96           HA       GLU  96  -3.760  -5.163  -9.028
  542   1HB   GLU  96          HB2       GLU  96  -5.503  -6.846 -10.844
  543   2HB   GLU  96          HB3       GLU  96  -3.745  -6.906 -10.769
  544   1HG   GLU  96          HG2       GLU  96  -3.790  -7.762  -8.547
  545   2HG   GLU  96          HG3       GLU  96  -5.527  -7.492  -8.420
  546    H    GLY  97           HN       GLY  97  -2.842  -3.514 -10.018
  547   1HA   GLY  97          HA1       GLY  97  -2.346  -2.396 -12.126
  548   2HA   GLY  97          HA2       GLY  97  -4.055  -2.516 -12.516
  549    H    GLN  98           HN       GLN  98  -4.057  -1.800  -9.340
  550    HA   GLN  98           HA       GLN  98  -4.263   1.077  -9.833
  551   1HB   GLN  98          HB2       GLN  98  -6.045  -0.234  -8.565
  552   2HB   GLN  98          HB3       GLN  98  -4.877  -0.376  -7.262
  553   1HG   GLN  98          HG2       GLN  98  -4.803   1.988  -6.961
  554   2HG   GLN  98          HG3       GLN  98  -5.791   2.253  -8.397
  555   1HE2  GLN  98          HE21      GLN  98  -5.776   1.138  -5.105
  556   2HE2  GLN  98          HE22      GLN  98  -7.487   1.223  -4.856
  557    H    GLU  99           HN       GLU  99  -2.899   2.544  -8.964
  558    HA   GLU  99           HA       GLU  99  -0.365   1.548  -8.016
  559   1HB   GLU  99          HB2       GLU  99   0.366   3.880  -8.144
  560   2HB   GLU  99          HB3       GLU  99  -0.390   3.351  -9.645
  561   1HG   GLU  99          HG2       GLU  99  -2.389   4.540  -9.154
  562   2HG   GLU  99          HG3       GLU  99  -1.853   4.897  -7.502
  563    H    VAL 100           HN       VAL 100   0.694   2.261  -6.154
  564    HA   VAL 100           HA       VAL 100  -0.853   3.749  -4.164
  565    HB   VAL 100           HB       VAL 100  -0.078   2.311  -2.349
  566   1HG1  VAL 100          HG11      VAL 100  -1.564   0.792  -4.484
  567   2HG1  VAL 100          HG12      VAL 100  -1.469   0.325  -2.786
  568   3HG1  VAL 100          HG13      VAL 100  -2.262   1.835  -3.244
  569   1HG2  VAL 100          HG21      VAL 100   1.031   0.206  -2.741
  570   2HG2  VAL 100          HG22      VAL 100   0.983   0.470  -4.485
  571   3HG2  VAL 100          HG23      VAL 100   1.972   1.515  -3.463
  572    H    ILE 101           HN       ILE 101   0.439   5.008  -2.782
  573    HA   ILE 101           HA       ILE 101   3.314   5.068  -3.384
  574    HB   ILE 101           HB       ILE 101   1.704   6.997  -1.708
  575   1HG1  ILE 101          HG12      ILE 101   0.928   6.907  -4.071
  576   2HG1  ILE 101          HG13      ILE 101   1.619   8.457  -3.625
  577   1HG2  ILE 101          HG21      ILE 101   4.438   7.235  -2.944
  578   2HG2  ILE 101          HG22      ILE 101   3.608   8.488  -2.018
  579   3HG2  ILE 101          HG23      ILE 101   4.090   6.982  -1.235
  580   1HD1  ILE 101          HD11      ILE 101   2.979   6.287  -5.193
  581   2HD1  ILE 101          HD12      ILE 101   2.353   7.808  -5.829
  582   3HD1  ILE 101          HD13      ILE 101   3.720   7.815  -4.714
  583    H    VAL 102           HN       VAL 102   4.481   3.799  -2.096
  584    HA   VAL 102           HA       VAL 102   3.663   3.431   0.705
  585    HB   VAL 102           HB       VAL 102   4.216   0.943   0.339
  586   1HG1  VAL 102          HG11      VAL 102   2.009   1.732   0.914
  587   2HG1  VAL 102          HG12      VAL 102   1.693   2.164  -0.769
  588   3HG1  VAL 102          HG13      VAL 102   1.886   0.471  -0.316
  589   1HG2  VAL 102          HG21      VAL 102   3.752   0.086  -1.902
  590   2HG2  VAL 102          HG22      VAL 102   3.542   1.733  -2.501
  591   3HG2  VAL 102          HG23      VAL 102   5.122   1.194  -1.929
  592    H    GLN 103           HN       GLN 103   5.305   3.540   2.033
  593    HA   GLN 103           HA       GLN 103   7.989   2.906   1.037
  594   1HB   GLN 103          HB2       GLN 103   8.828   4.021   3.071
  595   2HB   GLN 103          HB3       GLN 103   7.822   5.103   2.112
  596   1HG   GLN 103          HG2       GLN 103   6.055   4.993   3.625
  597   2HG   GLN 103          HG3       GLN 103   6.683   3.537   4.397
  598   1HE2  GLN 103          HE21      GLN 103   8.296   3.706   5.916
  599   2HE2  GLN 103          HE22      GLN 103   8.743   5.211   6.636
  600    H    ILE 104           HN       ILE 104   9.320   1.569   2.424
  601    HA   ILE 104           HA       ILE 104   7.791  -0.651   3.426
  602    HB   ILE 104           HB       ILE 104  10.744  -0.213   3.042
  603   1HG1  ILE 104          HG12      ILE 104   9.544  -0.550   0.991
  604   2HG1  ILE 104          HG13      ILE 104  10.371  -2.059   1.371
  605   1HG2  ILE 104          HG21      ILE 104  11.103  -2.529   3.643
  606   2HG2  ILE 104          HG22      ILE 104  10.398  -1.652   5.002
  607   3HG2  ILE 104          HG23      ILE 104   9.391  -2.721   4.021
  608   1HD1  ILE 104          HD11      ILE 104   7.458  -1.470   1.864
  609   2HD1  ILE 104          HD12      ILE 104   8.115  -2.472   0.572
  610   3HD1  ILE 104          HD13      ILE 104   8.284  -2.977   2.253
  611    H    ASP 105           HN       ASP 105   6.874  -0.385   5.247
  612    HA   ASP 105           HA       ASP 105   7.889   1.154   7.420
  613   1HB   ASP 105          HB2       ASP 105   5.530   1.016   7.245
  614   2HB   ASP 105          HB3       ASP 105   5.562  -0.736   7.085
  615    H    LYS 106           HN       LYS 106   7.623  -2.308   6.739
  616    HA   LYS 106           HA       LYS 106   9.619  -2.747   8.836
  617   1HB   LYS 106          HB2       LYS 106   7.259  -4.498   8.193
  618   2HB   LYS 106          HB3       LYS 106   8.645  -5.017   9.169
  619   1HG   LYS 106          HG2       LYS 106   8.181  -3.214  10.758
  620   2HG   LYS 106          HG3       LYS 106   6.794  -2.710   9.792
  621   1HD   LYS 106          HD2       LYS 106   5.800  -4.956  10.159
  622   2HD   LYS 106          HD3       LYS 106   7.149  -5.334  11.233
  623   1HE   LYS 106          HE2       LYS 106   5.254  -4.626  12.547
  624   2HE   LYS 106          HE3       LYS 106   6.524  -3.405  12.642
  625   1HZ   LYS 106          HZ1       LYS 106   5.327  -2.133  10.923
  626   2HZ   LYS 106          HZ2       LYS 106   4.405  -2.353  12.329
  627   3HZ   LYS 106          HZ3       LYS 106   4.080  -3.285  10.958
  628    H    GLU 107           HN       GLU 107  10.803  -4.799   8.558
  629    HA   GLU 107           HA       GLU 107  11.923  -4.399   5.908
  630   1HB   GLU 107          HB2       GLU 107  13.031  -5.398   8.521
  631   2HB   GLU 107          HB3       GLU 107  13.934  -5.434   7.024
  632   1HG   GLU 107          HG2       GLU 107  13.701  -3.004   6.825
  633   2HG   GLU 107          HG3       GLU 107  12.818  -2.982   8.348
  634    H    GLU 108           HN       GLU 108  12.928  -6.163   4.805
  635    HA   GLU 108           HA       GLU 108  10.987  -8.194   4.415
  636   1HB   GLU 108          HB2       GLU 108  13.756  -7.968   3.229
  637   2HB   GLU 108          HB3       GLU 108  12.416  -8.917   2.595
  638   1HG   GLU 108          HG2       GLU 108  11.236  -7.047   1.918
  639   2HG   GLU 108          HG3       GLU 108  12.169  -5.967   2.953
  640    H    ARG 109           HN       ARG 109  10.856  -9.347   6.257
  641    HA   ARG 109           HA       ARG 109  13.169 -10.779   7.290
  642   1HB   ARG 109          HB2       ARG 109  10.298 -10.609   8.236
  643   2HB   ARG 109          HB3       ARG 109  11.580 -11.466   9.073
  644   1HG   ARG 109          HG2       ARG 109  12.673  -9.516   9.684
  645   2HG   ARG 109          HG3       ARG 109  11.849  -8.565   8.448
  646   1HD   ARG 109          HD2       ARG 109  11.010  -8.059  10.695
  647   2HD   ARG 109          HD3       ARG 109   9.755  -8.747   9.668
  648    HE   ARG 109           HE       ARG 109  10.875 -10.866  11.063
  649   1HH1  ARG 109          HH1       ARG 109   9.263  -7.872  11.882
  650   2HH1  ARG 109          HH1       ARG 109   8.485  -8.513  13.297
  651   1HH2  ARG 109          HH2       ARG 109   9.856 -11.731  12.926
  652   2HH2  ARG 109          HH2       ARG 109   8.833 -10.711  13.904
  653    H    GLY 110           HN       GLY 110  11.412 -11.285   4.729
  654   1HA   GLY 110          HA1       GLY 110  11.022 -13.193   3.480
  655   2HA   GLY 110          HA2       GLY 110  11.583 -14.154   4.840
  656    H    ASN 111           HN       ASN 111  10.010 -13.984   6.798
  657    HA   ASN 111           HA       ASN 111   7.601 -15.209   6.010
  658   1HB   ASN 111          HB2       ASN 111   8.669 -15.700   8.149
  659   2HB   ASN 111          HB3       ASN 111   8.377 -14.052   8.694
  660   1HD2  ASN 111          HD21      ASN 111   6.882 -17.099   7.856
  661   2HD2  ASN 111          HD22      ASN 111   5.399 -16.820   8.711
  662    H    LYS 112           HN       LYS 112   8.357 -11.864   6.790
  663    HA   LYS 112           HA       LYS 112   5.548 -11.219   6.214
  664   1HB   LYS 112          HB2       LYS 112   7.417  -9.536   7.884
  665   2HB   LYS 112          HB3       LYS 112   5.703  -9.255   7.610
  666   1HG   LYS 112          HG2       LYS 112   5.292 -11.479   8.749
  667   2HG   LYS 112          HG3       LYS 112   6.984 -11.422   9.244
  668   1HD   LYS 112          HD2       LYS 112   5.635 -10.553  11.031
  669   2HD   LYS 112          HD3       LYS 112   6.533  -9.217  10.306
  670   1HE   LYS 112          HE2       LYS 112   4.606  -8.464   9.123
  671   2HE   LYS 112          HE3       LYS 112   3.702  -9.916   9.550
  672   1HZ   LYS 112          HZ1       LYS 112   4.603  -7.792  11.423
  673   2HZ   LYS 112          HZ2       LYS 112   3.829  -9.227  11.884
  674   3HZ   LYS 112          HZ3       LYS 112   3.007  -8.094  10.928
  675    H    GLY 113           HN       GLY 113   8.876 -10.105   6.004
  676   1HA   GLY 113          HA1       GLY 113  10.013  -9.585   4.073
  677   2HA   GLY 113          HA2       GLY 113   8.515  -9.784   3.177
  678    H    ALA 114           HN       ALA 114   8.419  -8.008   2.028
  679    HA   ALA 114           HA       ALA 114   9.311  -5.485   3.085
  680   1HB   ALA 114          HB1       ALA 114   8.951  -4.642   0.857
  681   2HB   ALA 114          HB2       ALA 114   9.843  -6.164   0.808
  682   3HB   ALA 114          HB3       ALA 114   8.124  -6.135   0.402
  683    H    ALA 115           HN       ALA 115   7.865  -4.899   4.682
  684    HA   ALA 115           HA       ALA 115   5.023  -5.021   4.242
  685   1HB   ALA 115          HB1       ALA 115   6.574  -3.732   6.481
  686   2HB   ALA 115          HB2       ALA 115   4.833  -4.013   6.449
  687   3HB   ALA 115          HB3       ALA 115   5.947  -5.382   6.472
  688    H    LEU 116           HN       LEU 116   3.832  -3.530   3.297
  689    HA   LEU 116           HA       LEU 116   4.980  -0.898   2.768
  690   1HB   LEU 116          HB2       LEU 116   2.317  -1.998   1.874
  691   2HB   LEU 116          HB3       LEU 116   3.095  -0.534   1.303
  692    HG   LEU 116           HG       LEU 116   4.116  -3.336   0.839
  693   1HD1  LEU 116          HD11      LEU 116   3.430  -2.920  -1.487
  694   2HD1  LEU 116          HD12      LEU 116   2.062  -2.947  -0.373
  695   3HD1  LEU 116          HD13      LEU 116   2.680  -1.409  -0.975
  696   1HD2  LEU 116          HD21      LEU 116   5.022  -0.684  -0.261
  697   2HD2  LEU 116          HD22      LEU 116   5.888  -1.663   0.918
  698   3HD2  LEU 116          HD23      LEU 116   5.650  -2.266  -0.721
  699    H    THR 117           HN       THR 117   3.740   1.023   3.196
  700    HA   THR 117           HA       THR 117   1.463   0.740   5.018
  701    HB   THR 117           HB       THR 117   3.500   1.199   6.388
  702    HG1  THR 117           HG1      THR 117   2.049   2.155   7.584
  703   1HG2  THR 117          HG21      THR 117   4.634   2.578   4.621
  704   2HG2  THR 117          HG22      THR 117   4.659   3.271   6.244
  705   3HG2  THR 117          HG23      THR 117   3.527   3.887   5.041
  706    H    THR 118           HN       THR 118   0.051   2.660   4.959
  707    HA   THR 118           HA       THR 118   0.692   4.515   2.797
  708    HB   THR 118           HB       THR 118  -1.920   4.324   2.293
  709    HG1  THR 118           HG1      THR 118  -2.139   2.541   3.800
  710   1HG2  THR 118          HG21      THR 118  -1.273   2.818   0.416
  711   2HG2  THR 118          HG22      THR 118   0.305   2.630   1.184
  712   3HG2  THR 118          HG23      THR 118  -0.219   4.216   0.619
  713    H    PHE 119           HN       PHE 119   0.833   4.949   5.549
  714    HA   PHE 119           HA       PHE 119  -1.250   6.976   5.929
  715   1HB   PHE 119          HB2       PHE 119   1.066   6.173   7.713
  716   2HB   PHE 119          HB3       PHE 119  -0.144   7.387   8.113
  717    HD1  PHE 119           HD1      PHE 119  -2.574   6.634   8.263
  718    HD2  PHE 119           HD2      PHE 119   0.710   3.925   8.212
  719    HE1  PHE 119           HE1      PHE 119  -4.003   4.887   9.241
  720    HE2  PHE 119           HE2      PHE 119  -0.717   2.173   9.189
  721    HZ   PHE 119           HZ       PHE 119  -3.075   2.655   9.709
  722    H    ILE 120           HN       ILE 120   0.441   7.140   3.712
  723    HA   ILE 120           HA       ILE 120   2.367   9.276   4.375
  724    HB   ILE 120           HB       ILE 120   2.683   7.632   1.907
  725   1HG1  ILE 120          HG12      ILE 120   3.893   6.627   4.466
  726   2HG1  ILE 120          HG13      ILE 120   2.270   6.120   4.004
  727   1HG2  ILE 120          HG21      ILE 120   4.139   9.539   2.354
  728   2HG2  ILE 120          HG22      ILE 120   4.650   8.801   3.872
  729   3HG2  ILE 120          HG23      ILE 120   5.050   8.029   2.338
  730   1HD1  ILE 120          HD11      ILE 120   4.757   5.749   2.347
  731   2HD1  ILE 120          HD12      ILE 120   3.958   4.502   3.303
  732   3HD1  ILE 120          HD13      ILE 120   3.131   5.214   1.919
  733    H    SER 121           HN       SER 121   0.867  10.960   3.879
  734    HA   SER 121           HA       SER 121   0.290  12.671   2.513
  735   1HB   SER 121          HB2       SER 121   1.595  11.057   0.319
  736   2HB   SER 121          HB3       SER 121   1.177  12.768   0.239
  737    HG   SER 121           HG       SER 121   3.213  12.883   0.880
  738    H    LEU 122           HN       LEU 122  -0.712   9.460   1.439
  739    HA   LEU 122           HA       LEU 122  -2.692  10.538  -0.359
  740   1HB   LEU 122          HB2       LEU 122  -2.068   7.725   0.504
  741   2HB   LEU 122          HB3       LEU 122  -3.419   8.117  -0.540
  742    HG   LEU 122           HG       LEU 122  -1.522   9.281  -1.981
  743   1HD1  LEU 122          HD11      LEU 122   0.257   8.854  -0.390
  744   2HD1  LEU 122          HD12      LEU 122  -0.049   7.119  -0.496
  745   3HD1  LEU 122          HD13      LEU 122   0.546   7.999  -1.905
  746   1HD2  LEU 122          HD21      LEU 122  -1.902   6.287  -1.955
  747   2HD2  LEU 122          HD22      LEU 122  -3.018   7.442  -2.684
  748   3HD2  LEU 122          HD23      LEU 122  -1.380   7.280  -3.315
  749    H    ALA 123           HN       ALA 123  -4.907   9.512  -0.208
  750    HA   ALA 123           HA       ALA 123  -6.867   9.053   0.866
  751   1HB   ALA 123          HB1       ALA 123  -5.564   9.684   3.509
  752   2HB   ALA 123          HB2       ALA 123  -7.125   8.907   3.239
  753   3HB   ALA 123          HB3       ALA 123  -5.633   8.072   2.797
  754    H    GLY 124           HN       GLY 124  -6.338  11.260  -0.451
  755   1HA   GLY 124          HA1       GLY 124  -7.295  13.324  -0.797
  756   2HA   GLY 124          HA2       GLY 124  -8.134  13.150   0.738
  757    H    SER 125           HN       SER 125  -7.660  14.717   2.095
  758    HA   SER 125           HA       SER 125  -4.897  15.404   2.599
  759   1HB   SER 125          HB2       SER 125  -5.540  17.905   2.448
  760   2HB   SER 125          HB3       SER 125  -5.208  17.042   0.950
  761    HG   SER 125           HG       SER 125  -7.583  16.691   0.892
  Start of MODEL    8
    1   1H    GLY  30           H1       GLY  30  17.606  17.227  -7.150
    2   2H    GLY  30           H2       GLY  30  18.017  17.198  -5.503
    3   3H    GLY  30           H3       GLY  30  16.593  17.966  -6.008
    4   1HA   GLY  30          HA2       GLY  30  17.173  15.061  -6.107
    5   2HA   GLY  30          HA1       GLY  30  16.037  15.867  -5.032
    6    H    SER  31           HN       SER  31  15.387  13.749  -6.804
    7    HA   SER  31           HA       SER  31  13.600  15.164  -8.673
    8   1HB   SER  31          HB2       SER  31  14.946  12.513  -9.231
    9   2HB   SER  31          HB3       SER  31  13.971  13.469 -10.349
   10    HG   SER  31           HG       SER  31  16.593  13.606  -9.891
   11    H    HIS  32           HN       HIS  32  13.278  13.987  -5.917
   12    HA   HIS  32           HA       HIS  32  11.835  12.689  -4.709
   13   1HB   HIS  32          HB2       HIS  32  10.231  12.584  -7.293
   14   2HB   HIS  32          HB3       HIS  32   9.628  12.228  -5.677
   15    HD1  HIS  32           HD1      HIS  32   9.806  14.884  -8.096
   16    HD2  HIS  32           HD2      HIS  32   9.802  14.649  -3.942
   17    HE1  HIS  32           HE1      HIS  32   9.158  17.179  -7.285
   18    HE2  HIS  32           HE2      HIS  32   8.973  16.955  -4.777
   19    H    MET  33           HN       MET  33  10.191  10.524  -5.872
   20    HA   MET  33           HA       MET  33  10.311   8.286  -5.835
   21   1HB   MET  33          HB2       MET  33  11.552   7.192  -7.636
   22   2HB   MET  33          HB3       MET  33  10.655   8.585  -8.201
   23   1HG   MET  33          HG2       MET  33  12.646   8.705  -9.355
   24   2HG   MET  33          HG3       MET  33  12.875   9.845  -8.035
   25   1HE   MET  33          HE1       MET  33  13.712   6.258  -9.400
   26   2HE   MET  33          HE2       MET  33  14.725   5.615  -8.107
   27   3HE   MET  33          HE3       MET  33  13.010   5.910  -7.819
   28    H    LEU  34           HN       LEU  34  12.480   9.922  -4.319
   29    HA   LEU  34           HA       LEU  34  13.697   7.544  -3.142
   30   1HB   LEU  34          HB2       LEU  34  15.101  10.106  -3.901
   31   2HB   LEU  34          HB3       LEU  34  15.763   8.978  -2.739
   32    HG   LEU  34           HG       LEU  34  15.186   8.348  -5.634
   33   1HD1  LEU  34          HD11      LEU  34  17.800   8.815  -4.203
   34   2HD1  LEU  34          HD12      LEU  34  17.616   8.303  -5.881
   35   3HD1  LEU  34          HD13      LEU  34  17.052   9.897  -5.379
   36   1HD2  LEU  34          HD21      LEU  34  16.418   6.279  -5.180
   37   2HD2  LEU  34          HD22      LEU  34  16.534   6.722  -3.478
   38   3HD2  LEU  34          HD23      LEU  34  14.959   6.394  -4.198
   39    H    GLU  35           HN       GLU  35  14.995   8.773  -1.046
   40    HA   GLU  35           HA       GLU  35  12.617   9.335   0.481
   41   1HB   GLU  35          HB2       GLU  35  15.469   8.833   1.354
   42   2HB   GLU  35          HB3       GLU  35  14.097   8.999   2.442
   43   1HG   GLU  35          HG2       GLU  35  13.128   6.998   1.712
   44   2HG   GLU  35          HG3       GLU  35  14.179   6.913   0.291
   45    H    GLN  36           HN       GLN  36  11.983  11.408   0.338
   46    HA   GLN  36           HA       GLN  36  13.800  13.576   0.936
   47   1HB   GLN  36          HB2       GLN  36  10.783  13.448   0.751
   48   2HB   GLN  36          HB3       GLN  36  11.670  14.919   1.114
   49   1HG   GLN  36          HG2       GLN  36  12.777  14.798  -1.051
   50   2HG   GLN  36          HG3       GLN  36  11.910  13.305  -1.417
   51   1HE2  GLN  36          HE21      GLN  36  11.646  16.758  -1.012
   52   2HE2  GLN  36          HE22      GLN  36  10.086  16.920  -1.744
   53    H    LYS  37           HN       LYS  37  14.534  12.292   2.875
   54    HA   LYS  37           HA       LYS  37  14.749  12.069   5.124
   55   1HB   LYS  37          HB2       LYS  37  12.472  14.042   5.374
   56   2HB   LYS  37          HB3       LYS  37  13.611  13.592   6.632
   57   1HG   LYS  37          HG2       LYS  37  15.420  14.643   5.424
   58   2HG   LYS  37          HG3       LYS  37  14.336  15.017   4.080
   59   1HD   LYS  37          HD2       LYS  37  12.940  16.324   5.710
   60   2HD   LYS  37          HD3       LYS  37  14.235  16.104   6.886
   61   1HE   LYS  37          HE2       LYS  37  15.790  17.260   5.426
   62   2HE   LYS  37          HE3       LYS  37  14.541  17.419   4.190
   63   1HZ   LYS  37          HZ1       LYS  37  14.648  18.729   6.848
   64   2HZ   LYS  37          HZ2       LYS  37  13.234  18.672   5.915
   65   3HZ   LYS  37          HZ3       LYS  37  14.605  19.466   5.318
   66    H    LYS  38           HN       LYS  38  12.734  10.568   3.468
   67    HA   LYS  38           HA       LYS  38  10.982   9.633   5.639
   68   1HB   LYS  38          HB2       LYS  38   9.436   8.868   3.896
   69   2HB   LYS  38          HB3       LYS  38   9.695  10.605   3.817
   70   1HG   LYS  38          HG2       LYS  38  11.535   9.842   2.059
   71   2HG   LYS  38          HG3       LYS  38  10.446   8.458   1.914
   72   1HD   LYS  38          HD2       LYS  38   9.695  11.366   1.577
   73   2HD   LYS  38          HD3       LYS  38   9.902  10.195   0.280
   74   1HE   LYS  38          HE2       LYS  38   7.612  10.206   0.521
   75   2HE   LYS  38          HE3       LYS  38   8.061   8.866   1.570
   76   1HZ   LYS  38          HZ1       LYS  38   7.742  10.179   3.486
   77   2HZ   LYS  38          HZ2       LYS  38   6.411  10.528   2.492
   78   3HZ   LYS  38          HZ3       LYS  38   7.695  11.625   2.601
   79    H    ALA  39           HN       ALA  39  10.174   7.238   4.851
   80    HA   ALA  39           HA       ALA  39  12.545   5.610   4.582
   81   1HB   ALA  39          HB1       ALA  39   9.626   4.823   4.554
   82   2HB   ALA  39          HB2       ALA  39  10.995   3.714   4.654
   83   3HB   ALA  39          HB3       ALA  39  10.674   4.842   5.973
   84    H    ASN  40           HN       ASN  40  12.348   3.784   2.820
   85    HA   ASN  40           HA       ASN  40  12.622   5.105   0.349
   86   1HB   ASN  40          HB2       ASN  40  12.390   2.174   1.009
   87   2HB   ASN  40          HB3       ASN  40  12.660   2.787  -0.619
   88   1HD2  ASN  40          HD21      ASN  40  14.014   2.414   2.563
   89   2HD2  ASN  40          HD22      ASN  40  15.653   2.744   2.110
   90    H    ILE  41           HN       ILE  41  10.934   6.100  -0.530
   91    HA   ILE  41           HA       ILE  41   8.287   4.956  -0.469
   92    HB   ILE  41           HB       ILE  41   8.692   7.398  -0.192
   93   1HG1  ILE  41          HG12      ILE  41   6.902   8.135  -1.824
   94   2HG1  ILE  41          HG13      ILE  41   6.944   6.501  -2.482
   95   1HG2  ILE  41          HG21      ILE  41   9.396   7.327  -3.117
   96   2HG2  ILE  41          HG22      ILE  41   9.177   8.781  -2.142
   97   3HG2  ILE  41          HG23      ILE  41  10.502   7.672  -1.789
   98   1HD1  ILE  41          HD11      ILE  41   6.305   5.600  -0.314
   99   2HD1  ILE  41          HD12      ILE  41   6.292   7.231   0.363
  100   3HD1  ILE  41          HD13      ILE  41   5.130   6.785  -0.886
  101    H    TYR  42           HN       TYR  42   7.257   3.915  -2.124
  102    HA   TYR  42           HA       TYR  42   8.608   3.872  -4.727
  103   1HB   TYR  42          HB2       TYR  42   7.661   1.508  -3.116
  104   2HB   TYR  42          HB3       TYR  42   7.888   1.419  -4.859
  105    HD1  TYR  42           HD1      TYR  42   9.517   1.424  -1.626
  106    HD2  TYR  42           HD2      TYR  42  10.159   1.784  -5.818
  107    HE1  TYR  42           HE1      TYR  42  11.912   0.971  -1.296
  108    HE2  TYR  42           HE2      TYR  42  12.553   1.332  -5.497
  109    HH   TYR  42           HH       TYR  42  14.231   1.392  -3.822
  110    H    LYS  43           HN       LYS  43   7.321   3.720  -6.474
  111    HA   LYS  43           HA       LYS  43   4.426   4.000  -6.022
  112   1HB   LYS  43          HB2       LYS  43   5.638   5.915  -7.116
  113   2HB   LYS  43          HB3       LYS  43   6.083   4.831  -8.423
  114   1HG   LYS  43          HG2       LYS  43   4.262   5.916  -9.299
  115   2HG   LYS  43          HG3       LYS  43   3.526   4.461  -8.626
  116   1HD   LYS  43          HD2       LYS  43   2.775   5.621  -6.703
  117   2HD   LYS  43          HD3       LYS  43   3.688   7.066  -7.149
  118   1HE   LYS  43          HE2       LYS  43   1.417   5.875  -8.727
  119   2HE   LYS  43          HE3       LYS  43   1.287   7.268  -7.655
  120   1HZ   LYS  43          HZ1       LYS  43   2.634   8.554  -9.071
  121   2HZ   LYS  43          HZ2       LYS  43   1.547   7.753 -10.095
  122   3HZ   LYS  43          HZ3       LYS  43   3.148   7.208  -9.963
  123    H    GLY  44           HN       GLY  44   3.463   2.091  -6.322
  124   1HA   GLY  44          HA1       GLY  44   4.186   0.528  -8.693
  125   2HA   GLY  44          HA2       GLY  44   4.365  -0.252  -7.126
  126    H    LYS  45           HN       LYS  45   2.708  -1.335  -8.997
  127    HA   LYS  45           HA       LYS  45   0.018  -0.558  -8.121
  128   1HB   LYS  45          HB2       LYS  45   1.020  -2.037 -10.541
  129   2HB   LYS  45          HB3       LYS  45  -0.684  -2.045 -10.066
  130   1HG   LYS  45          HG2       LYS  45  -0.967   0.197 -10.525
  131   2HG   LYS  45          HG3       LYS  45   0.747   0.561 -10.351
  132   1HD   LYS  45          HD2       LYS  45  -0.210  -1.197 -12.573
  133   2HD   LYS  45          HD3       LYS  45  -0.319   0.560 -12.710
  134   1HE   LYS  45          HE2       LYS  45   2.103   0.687 -12.184
  135   2HE   LYS  45          HE3       LYS  45   2.167  -1.075 -12.236
  136   1HZ   LYS  45          HZ1       LYS  45   2.867  -0.121 -14.333
  137   2HZ   LYS  45          HZ2       LYS  45   1.396   0.708 -14.484
  138   3HZ   LYS  45          HZ3       LYS  45   1.422  -0.989 -14.543
  139    H    ILE  46           HN       ILE  46  -1.512  -2.208  -7.711
  140    HA   ILE  46           HA       ILE  46  -0.544  -4.277  -6.029
  141    HB   ILE  46           HB       ILE  46  -3.220  -3.387  -7.002
  142   1HG1  ILE  46          HG12      ILE  46  -3.722  -3.376  -4.591
  143   2HG1  ILE  46          HG13      ILE  46  -2.139  -4.064  -4.257
  144   1HG2  ILE  46          HG21      ILE  46  -4.302  -5.325  -5.983
  145   2HG2  ILE  46          HG22      ILE  46  -3.287  -5.785  -7.349
  146   3HG2  ILE  46          HG23      ILE  46  -2.722  -6.057  -5.701
  147   1HD1  ILE  46          HD11      ILE  46  -1.088  -2.029  -5.137
  148   2HD1  ILE  46          HD12      ILE  46  -2.685  -1.348  -5.445
  149   3HD1  ILE  46          HD13      ILE  46  -2.174  -1.683  -3.791
  150    H    THR  47           HN       THR  47  -0.397  -6.445  -6.381
  151    HA   THR  47           HA       THR  47  -1.017  -7.412  -9.091
  152    HB   THR  47           HB       THR  47   1.047  -8.775  -9.005
  153    HG1  THR  47           HG1      THR  47   1.551  -7.195  -6.670
  154   1HG2  THR  47          HG21      THR  47   2.577  -6.841  -9.326
  155   2HG2  THR  47          HG22      THR  47   1.309  -5.800  -8.665
  156   3HG2  THR  47          HG23      THR  47   1.039  -6.671 -10.176
  157    H    ARG  48           HN       ARG  48  -1.681  -7.707  -5.902
  158    HA   ARG  48           HA       ARG  48  -2.997 -10.208  -6.294
  159   1HB   ARG  48          HB2       ARG  48  -0.545 -10.746  -5.691
  160   2HB   ARG  48          HB3       ARG  48  -0.983 -10.211  -4.074
  161   1HG   ARG  48          HG2       ARG  48  -2.913 -11.836  -4.194
  162   2HG   ARG  48          HG3       ARG  48  -2.134 -12.512  -5.619
  163   1HD   ARG  48          HD2       ARG  48  -0.050 -12.726  -4.102
  164   2HD   ARG  48          HD3       ARG  48  -1.199 -12.495  -2.772
  165    HE   ARG  48           HE       ARG  48  -1.208 -14.740  -4.683
  166   1HH1  ARG  48          HH1       ARG  48  -2.207 -13.323  -1.631
  167   2HH1  ARG  48          HH1       ARG  48  -3.099 -14.725  -1.126
  168   1HH2  ARG  48          HH2       ARG  48  -2.406 -16.581  -4.014
  169   2HH2  ARG  48          HH2       ARG  48  -3.202 -16.567  -2.465
  170    H    ILE  49           HN       ILE  49  -4.834 -10.030  -5.231
  171    HA   ILE  49           HA       ILE  49  -4.828  -8.829  -2.568
  172    HB   ILE  49           HB       ILE  49  -6.745  -8.042  -4.769
  173   1HG1  ILE  49          HG12      ILE  49  -4.912  -6.289  -3.155
  174   2HG1  ILE  49          HG13      ILE  49  -4.447  -6.967  -4.720
  175   1HG2  ILE  49          HG21      ILE  49  -7.801  -6.592  -3.102
  176   2HG2  ILE  49          HG22      ILE  49  -7.923  -8.291  -2.644
  177   3HG2  ILE  49          HG23      ILE  49  -6.736  -7.248  -1.860
  178   1HD1  ILE  49          HD11      ILE  49  -5.214  -4.759  -5.059
  179   2HD1  ILE  49          HD12      ILE  49  -6.435  -5.864  -5.693
  180   3HD1  ILE  49          HD13      ILE  49  -6.696  -5.065  -4.141
  181    H    GLU  50           HN       GLU  50  -5.688 -10.264  -1.248
  182    HA   GLU  50           HA       GLU  50  -7.795 -12.006  -2.331
  183   1HB   GLU  50          HB2       GLU  50  -5.410 -12.643  -0.773
  184   2HB   GLU  50          HB3       GLU  50  -6.883 -13.322  -0.100
  185   1HG   GLU  50          HG2       GLU  50  -7.306 -14.115  -2.538
  186   2HG   GLU  50          HG3       GLU  50  -5.568 -13.863  -2.713
  187    HA   PRO  51           HA       PRO  51 -10.371 -10.154   0.801
  188   1HB   PRO  51          HB2       PRO  51 -12.206 -12.368   0.183
  189   2HB   PRO  51          HB3       PRO  51 -12.445 -10.631  -0.016
  190   1HG   PRO  51          HG2       PRO  51 -12.137 -12.273  -2.128
  191   2HG   PRO  51          HG3       PRO  51 -11.525 -10.609  -2.130
  192   1HD   PRO  51          HD2       PRO  51 -10.042 -13.172  -1.683
  193   2HD   PRO  51          HD3       PRO  51  -9.565 -11.745  -2.630
  194    H    SER  52           HN       SER  52  -9.146 -13.349   0.643
  195    HA   SER  52           HA       SER  52 -10.187 -14.358   3.087
  196   1HB   SER  52          HB2       SER  52  -7.612 -15.251   1.804
  197   2HB   SER  52          HB3       SER  52  -8.769 -16.211   2.728
  198    HG   SER  52           HG       SER  52  -8.651 -15.992   0.137
  199    H    LEU  53           HN       LEU  53  -7.347 -12.516   2.183
  200    HA   LEU  53           HA       LEU  53  -6.410 -12.669   4.964
  201   1HB   LEU  53          HB2       LEU  53  -4.116 -12.223   3.915
  202   2HB   LEU  53          HB3       LEU  53  -4.796 -13.830   3.780
  203    HG   LEU  53           HG       LEU  53  -5.510 -13.263   1.447
  204   1HD1  LEU  53          HD11      LEU  53  -3.859 -10.790   1.916
  205   2HD1  LEU  53          HD12      LEU  53  -4.455 -11.342   0.350
  206   3HD1  LEU  53          HD13      LEU  53  -5.597 -10.853   1.601
  207   1HD2  LEU  53          HD21      LEU  53  -3.268 -13.458   0.494
  208   2HD2  LEU  53          HD22      LEU  53  -2.573 -13.047   2.064
  209   3HD2  LEU  53          HD23      LEU  53  -3.499 -14.536   1.873
  210    H    GLU  54           HN       GLU  54  -7.868 -10.611   2.918
  211    HA   GLU  54           HA       GLU  54  -8.046  -8.367   2.721
  212   1HB   GLU  54          HB2       GLU  54  -8.324  -7.206   4.883
  213   2HB   GLU  54          HB3       GLU  54  -9.208  -8.717   4.798
  214   1HG   GLU  54          HG2       GLU  54  -7.622  -9.797   6.222
  215   2HG   GLU  54          HG3       GLU  54  -6.547  -8.400   6.161
  216    H    ALA  55           HN       ALA  55  -5.768  -8.744   1.710
  217    HA   ALA  55           HA       ALA  55  -4.294  -6.418   2.355
  218   1HB   ALA  55          HB1       ALA  55  -2.920  -9.045   2.870
  219   2HB   ALA  55          HB2       ALA  55  -2.177  -7.447   2.945
  220   3HB   ALA  55          HB3       ALA  55  -3.428  -7.894   4.106
  221    H    ALA  56           HN       ALA  56  -2.258  -6.289   0.919
  222    HA   ALA  56           HA       ALA  56  -2.787  -7.652  -1.633
  223   1HB   ALA  56          HB1       ALA  56  -2.714  -5.567  -2.845
  224   2HB   ALA  56          HB2       ALA  56  -3.989  -5.513  -1.629
  225   3HB   ALA  56          HB3       ALA  56  -2.464  -4.674  -1.344
  226    H    PHE  57           HN       PHE  57  -1.075  -7.880  -3.004
  227    HA   PHE  57           HA       PHE  57   1.576  -7.154  -1.973
  228   1HB   PHE  57          HB2       PHE  57   0.625  -9.184  -3.979
  229   2HB   PHE  57          HB3       PHE  57   2.305  -8.663  -3.962
  230    HD1  PHE  57           HD1      PHE  57   3.673  -9.065  -1.895
  231    HD2  PHE  57           HD2      PHE  57  -0.187 -10.765  -2.446
  232    HE1  PHE  57           HE1      PHE  57   4.173 -10.745  -0.168
  233    HE2  PHE  57           HE2      PHE  57   0.303 -12.449  -0.719
  234    HZ   PHE  57           HZ       PHE  57   2.486 -12.442   0.423
  235    H    VAL  58           HN       VAL  58   2.780  -5.645  -2.939
  236    HA   VAL  58           HA       VAL  58   1.798  -4.504  -5.480
  237    HB   VAL  58           HB       VAL  58   3.314  -3.222  -3.205
  238   1HG1  VAL  58          HG11      VAL  58   2.918  -2.058  -5.963
  239   2HG1  VAL  58          HG12      VAL  58   3.604  -1.224  -4.570
  240   3HG1  VAL  58          HG13      VAL  58   4.455  -2.591  -5.288
  241   1HG2  VAL  58          HG21      VAL  58   0.926  -3.144  -3.005
  242   2HG2  VAL  58          HG22      VAL  58   1.508  -1.535  -3.435
  243   3HG2  VAL  58          HG23      VAL  58   0.763  -2.560  -4.659
  244    H    ASP  59           HN       ASP  59   3.101  -4.373  -7.209
  245    HA   ASP  59           HA       ASP  59   5.713  -5.701  -6.960
  246   1HB   ASP  59          HB2       ASP  59   4.023  -6.844  -8.385
  247   2HB   ASP  59          HB3       ASP  59   3.969  -5.400  -9.412
  248    H    TYR  60           HN       TYR  60   7.224  -4.144  -6.765
  249    HA   TYR  60           HA       TYR  60   7.413  -2.247  -9.008
  250   1HB   TYR  60          HB2       TYR  60   8.664  -0.737  -7.396
  251   2HB   TYR  60          HB3       TYR  60   6.945  -0.911  -7.055
  252    HD1  TYR  60           HD1      TYR  60   6.221  -2.379  -5.155
  253    HD2  TYR  60           HD2      TYR  60  10.306  -1.410  -5.813
  254    HE1  TYR  60           HE1      TYR  60   6.740  -3.034  -2.845
  255    HE2  TYR  60           HE2      TYR  60  10.839  -2.062  -3.504
  256    HH   TYR  60           HH       TYR  60   8.624  -3.725  -1.503
  257    H    GLY  61           HN       GLY  61   8.503  -4.284  -9.838
  258   1HA   GLY  61          HA1       GLY  61  10.327  -5.643 -10.209
  259   2HA   GLY  61          HA2       GLY  61  11.288  -4.239  -9.764
  260    H    ALA  62           HN       ALA  62   9.069  -5.499  -7.458
  261    HA   ALA  62           HA       ALA  62  11.210  -5.854  -5.575
  262   1HB   ALA  62          HB1       ALA  62   9.141  -4.775  -4.886
  263   2HB   ALA  62          HB2       ALA  62   8.235  -6.241  -5.260
  264   3HB   ALA  62          HB3       ALA  62   9.414  -6.245  -3.948
  265    H    GLU  63           HN       GLU  63  11.838  -7.730  -4.560
  266    HA   GLU  63           HA       GLU  63  11.257 -10.131  -6.125
  267   1HB   GLU  63          HB2       GLU  63  13.628  -9.148  -5.536
  268   2HB   GLU  63          HB3       GLU  63  13.378 -10.016  -4.027
  269   1HG   GLU  63          HG2       GLU  63  14.634 -11.367  -5.582
  270   2HG   GLU  63          HG3       GLU  63  13.056 -12.091  -5.277
  271    H    ARG  64           HN       ARG  64  10.768  -8.763  -2.975
  272    HA   ARG  64           HA       ARG  64   9.689 -11.341  -2.064
  273   1HB   ARG  64          HB2       ARG  64  10.518  -8.874  -0.546
  274   2HB   ARG  64          HB3       ARG  64   9.560 -10.148   0.191
  275   1HG   ARG  64          HG2       ARG  64  12.231 -10.646  -1.099
  276   2HG   ARG  64          HG3       ARG  64  12.036 -10.246   0.607
  277   1HD   ARG  64          HD2       ARG  64  12.207 -12.637   0.364
  278   2HD   ARG  64          HD3       ARG  64  10.573 -12.218   0.871
  279    HE   ARG  64           HE       ARG  64  11.274 -12.882  -1.923
  280   1HH1  ARG  64          HH1       ARG  64   9.193 -13.176   0.872
  281   2HH1  ARG  64          HH1       ARG  64   7.994 -14.135   0.058
  282   1HH2  ARG  64          HH2       ARG  64   9.699 -14.124  -3.027
  283   2HH2  ARG  64          HH2       ARG  64   8.290 -14.681  -2.173
  284    H    HIS  65           HN       HIS  65   8.810  -8.367  -3.323
  285    HA   HIS  65           HA       HIS  65   6.821  -7.462  -3.904
  286   1HB   HIS  65          HB2       HIS  65   6.079 -10.215  -3.279
  287   2HB   HIS  65          HB3       HIS  65   4.755  -9.078  -3.016
  288    HD1  HIS  65           HD1      HIS  65   3.468  -9.962  -5.077
  289    HD2  HIS  65           HD2      HIS  65   7.224  -8.413  -5.938
  290    HE1  HIS  65           HE1      HIS  65   3.486  -9.578  -7.553
  291    HE2  HIS  65           HE2      HIS  65   5.755  -8.593  -8.061
  292    H    GLY  66           HN       GLY  66   6.222  -5.706  -2.938
  293   1HA   GLY  66          HA1       GLY  66   6.235  -5.349  -0.139
  294   2HA   GLY  66          HA2       GLY  66   5.570  -4.224  -1.314
  295    H    PHE  67           HN       PHE  67   4.812  -6.020   1.298
  296    HA   PHE  67           HA       PHE  67   2.109  -6.658   0.346
  297   1HB   PHE  67          HB2       PHE  67   3.579  -8.451   1.350
  298   2HB   PHE  67          HB3       PHE  67   3.426  -7.604   2.877
  299    HD1  PHE  67           HD1      PHE  67   1.018  -8.563   0.186
  300    HD2  PHE  67           HD2      PHE  67   2.043  -8.705   4.312
  301    HE1  PHE  67           HE1      PHE  67  -1.082  -9.762   0.665
  302    HE2  PHE  67           HE2      PHE  67  -0.049  -9.899   4.800
  303    HZ   PHE  67           HZ       PHE  67  -1.601 -10.493   2.893
  304    H    LEU  68           HN       LEU  68   0.694  -5.134   0.730
  305    HA   LEU  68           HA       LEU  68   0.902  -3.451   3.122
  306   1HB   LEU  68          HB2       LEU  68   0.283  -2.919   0.452
  307   2HB   LEU  68          HB3       LEU  68  -1.254  -2.823   1.287
  308    HG   LEU  68           HG       LEU  68   1.212  -1.209   1.914
  309   1HD1  LEU  68          HD11      LEU  68  -0.166   0.676   1.160
  310   2HD1  LEU  68          HD12      LEU  68   0.080  -0.508  -0.124
  311   3HD1  LEU  68          HD13      LEU  68  -1.460  -0.446   0.736
  312   1HD2  LEU  68          HD21      LEU  68   0.010  -1.687   3.950
  313   2HD2  LEU  68          HD22      LEU  68  -0.260  -0.007   3.480
  314   3HD2  LEU  68          HD23      LEU  68  -1.515  -1.215   3.197
  315    HA   PRO  69           HA       PRO  69  -2.577  -5.818   4.908
  316   1HB   PRO  69          HB2       PRO  69  -2.201  -3.707   6.955
  317   2HB   PRO  69          HB3       PRO  69  -2.277  -5.460   7.157
  318   1HG   PRO  69          HG2       PRO  69   0.039  -4.167   7.395
  319   2HG   PRO  69          HG3       PRO  69  -0.037  -5.750   6.595
  320   1HD   PRO  69          HD2       PRO  69   0.136  -3.015   5.378
  321   2HD   PRO  69          HD3       PRO  69   0.984  -4.507   4.917
  322    H    LEU  70           HN       LEU  70  -4.740  -5.340   4.966
  323    HA   LEU  70           HA       LEU  70  -5.652  -3.074   3.550
  324   1HB   LEU  70          HB2       LEU  70  -7.004  -4.934   3.331
  325   2HB   LEU  70          HB3       LEU  70  -6.968  -5.297   5.041
  326    HG   LEU  70           HG       LEU  70  -8.415  -3.298   5.435
  327   1HD1  LEU  70          HD11      LEU  70  -9.607  -2.357   3.502
  328   2HD1  LEU  70          HD12      LEU  70  -7.874  -2.026   3.455
  329   3HD1  LEU  70          HD13      LEU  70  -8.560  -3.285   2.425
  330   1HD2  LEU  70          HD21      LEU  70  -9.493  -5.420   3.585
  331   2HD2  LEU  70          HD22      LEU  70  -9.367  -5.524   5.343
  332   3HD2  LEU  70          HD23      LEU  70 -10.464  -4.358   4.607
  333    H    LYS  71           HN       LYS  71  -5.412  -3.785   6.989
  334    HA   LYS  71           HA       LYS  71  -7.074  -1.722   7.925
  335   1HB   LYS  71          HB2       LYS  71  -6.041  -2.038  10.070
  336   2HB   LYS  71          HB3       LYS  71  -6.180  -3.611   9.301
  337   1HG   LYS  71          HG2       LYS  71  -3.859  -3.656   8.797
  338   2HG   LYS  71          HG3       LYS  71  -3.664  -1.967   9.271
  339   1HD   LYS  71          HD2       LYS  71  -4.404  -2.648  11.580
  340   2HD   LYS  71          HD3       LYS  71  -4.283  -4.323  11.044
  341   1HE   LYS  71          HE2       LYS  71  -1.922  -4.017  10.555
  342   2HE   LYS  71          HE3       LYS  71  -2.034  -2.315  11.007
  343   1HZ   LYS  71          HZ1       LYS  71  -2.699  -3.060  13.256
  344   2HZ   LYS  71          HZ2       LYS  71  -1.126  -3.526  12.831
  345   3HZ   LYS  71          HZ3       LYS  71  -2.387  -4.664  12.790
  346    H    GLU  72           HN       GLU  72  -3.919  -1.649   6.575
  347    HA   GLU  72           HA       GLU  72  -3.160   0.920   7.629
  348   1HB   GLU  72          HB2       GLU  72  -2.036  -0.575   5.248
  349   2HB   GLU  72          HB3       GLU  72  -1.272   0.760   6.104
  350   1HG   GLU  72          HG2       GLU  72  -1.880  -1.906   7.352
  351   2HG   GLU  72          HG3       GLU  72  -0.341  -1.492   6.602
  352    H    ILE  73           HN       ILE  73  -4.979  -0.282   4.950
  353    HA   ILE  73           HA       ILE  73  -4.230   1.327   2.871
  354    HB   ILE  73           HB       ILE  73  -6.762  -0.096   3.510
  355   1HG1  ILE  73          HG12      ILE  73  -4.676  -0.264   1.323
  356   2HG1  ILE  73          HG13      ILE  73  -4.950  -1.406   2.638
  357   1HG2  ILE  73          HG21      ILE  73  -7.723   0.560   1.331
  358   2HG2  ILE  73          HG22      ILE  73  -7.621   1.899   2.474
  359   3HG2  ILE  73          HG23      ILE  73  -6.450   1.768   1.161
  360   1HD1  ILE  73          HD11      ILE  73  -7.111  -1.986   1.673
  361   2HD1  ILE  73          HD12      ILE  73  -6.829  -0.846   0.359
  362   3HD1  ILE  73          HD13      ILE  73  -5.794  -2.263   0.538
  363    H    ALA  74           HN       ALA  74  -4.323   3.327   2.378
  364    HA   ALA  74           HA       ALA  74  -5.881   5.224   3.912
  365   1HB   ALA  74          HB1       ALA  74  -3.902   5.600   1.661
  366   2HB   ALA  74          HB2       ALA  74  -4.668   6.907   2.566
  367   3HB   ALA  74          HB3       ALA  74  -3.583   5.783   3.386
  368    H    ARG  75           HN       ARG  75  -7.241   6.764   2.914
  369    HA   ARG  75           HA       ARG  75  -9.195   5.649   1.269
  370   1HB   ARG  75          HB2       ARG  75  -9.392   7.559   2.971
  371   2HB   ARG  75          HB3       ARG  75  -8.861   8.610   1.664
  372   1HG   ARG  75          HG2       ARG  75 -10.758   7.943   0.316
  373   2HG   ARG  75          HG3       ARG  75 -11.282   6.823   1.576
  374   1HD   ARG  75          HD2       ARG  75 -11.114   9.826   1.775
  375   2HD   ARG  75          HD3       ARG  75 -12.581   8.854   1.691
  376    HE   ARG  75           HE       ARG  75 -11.071   8.010   3.901
  377   1HH1  ARG  75          HH1       ARG  75 -12.923  10.790   2.843
  378   2HH1  ARG  75          HH1       ARG  75 -13.345  11.277   4.454
  379   1HH2  ARG  75          HH2       ARG  75 -11.615   8.665   6.022
  380   2HH2  ARG  75          HH2       ARG  75 -12.613  10.077   6.251
  381    H    GLU  76           HN       GLU  76  -6.222   7.131   0.347
  382    HA   GLU  76           HA       GLU  76  -6.923   8.197  -2.165
  383   1HB   GLU  76          HB2       GLU  76  -4.629   8.196  -0.920
  384   2HB   GLU  76          HB3       GLU  76  -4.364   6.671  -1.756
  385   1HG   GLU  76          HG2       GLU  76  -3.353   8.337  -3.079
  386   2HG   GLU  76          HG3       GLU  76  -4.853   7.891  -3.896
  387    H    TYR  77           HN       TYR  77  -6.814   4.977  -1.030
  388    HA   TYR  77           HA       TYR  77  -6.420   3.770  -3.639
  389   1HB   TYR  77          HB2       TYR  77  -7.079   2.453  -0.992
  390   2HB   TYR  77          HB3       TYR  77  -6.542   1.638  -2.456
  391    HD1  TYR  77           HD1      TYR  77  -4.580   4.256  -2.795
  392    HD2  TYR  77           HD2      TYR  77  -5.132   1.150   0.057
  393    HE1  TYR  77           HE1      TYR  77  -2.242   4.496  -2.089
  394    HE2  TYR  77           HE2      TYR  77  -2.793   1.384   0.773
  395    HH   TYR  77           HH       TYR  77  -0.680   2.230  -0.072
  396    H    PHE  78           HN       PHE  78  -8.944   3.919  -1.160
  397    HA   PHE  78           HA       PHE  78 -10.947   3.416  -3.241
  398   1HB   PHE  78          HB2       PHE  78 -12.558   3.103  -1.389
  399   2HB   PHE  78          HB3       PHE  78 -11.222   1.968  -1.300
  400    HD1  PHE  78           HD1      PHE  78  -9.215   2.821   0.228
  401    HD2  PHE  78           HD2      PHE  78 -13.262   4.086   0.570
  402    HE1  PHE  78           HE1      PHE  78  -8.808   3.488   2.558
  403    HE2  PHE  78           HE2      PHE  78 -12.858   4.754   2.900
  404    HZ   PHE  78           HZ       PHE  78 -10.708   4.419   3.919
  405    HA   PRO  79           HA       PRO  79 -10.356   7.745  -3.912
  406   1HB   PRO  79          HB2       PRO  79 -13.229   7.334  -4.659
  407   2HB   PRO  79          HB3       PRO  79 -11.981   8.285  -5.477
  408   1HG   PRO  79          HG2       PRO  79 -12.633   5.772  -6.243
  409   2HG   PRO  79          HG3       PRO  79 -11.006   6.449  -6.418
  410   1HD   PRO  79          HD2       PRO  79 -11.907   4.299  -4.674
  411   2HD   PRO  79          HD3       PRO  79 -10.252   4.843  -5.014
  412    H    ALA  80           HN       ALA  80 -10.540   9.498  -2.798
  413    HA   ALA  80           HA       ALA  80 -11.552   9.674  -0.269
  414   1HB   ALA  80          HB1       ALA  80  -9.894  11.175  -1.280
  415   2HB   ALA  80          HB2       ALA  80 -11.192  11.984  -2.159
  416   3HB   ALA  80          HB3       ALA  80 -11.154  12.042  -0.396
  417    H    ASN  81           HN       ASN  81 -13.452   9.946  -3.146
  418    HA   ASN  81           HA       ASN  81 -15.620  11.310  -1.728
  419   1HB   ASN  81          HB2       ASN  81 -15.410  10.466  -4.623
  420   2HB   ASN  81          HB3       ASN  81 -16.770  11.334  -3.920
  421   1HD2  ASN  81          HD21      ASN  81 -15.102  12.143  -6.085
  422   2HD2  ASN  81          HD22      ASN  81 -14.351  13.635  -5.612
  423    H    TYR  82           HN       TYR  82 -14.550   8.220  -2.190
  424    HA   TYR  82           HA       TYR  82 -16.993   6.811  -2.642
  425   1HB   TYR  82          HB2       TYR  82 -14.711   5.942  -3.156
  426   2HB   TYR  82          HB3       TYR  82 -14.372   5.861  -1.438
  427    HD1  TYR  82           HD1      TYR  82 -16.224   4.359  -4.221
  428    HD2  TYR  82           HD2      TYR  82 -15.272   4.062  -0.085
  429    HE1  TYR  82           HE1      TYR  82 -17.046   2.044  -4.204
  430    HE2  TYR  82           HE2      TYR  82 -16.097   1.744  -0.056
  431    HH   TYR  82           HH       TYR  82 -17.622   0.312  -1.336
  432    H    SER  83           HN       SER  83 -18.348   5.828  -1.143
  433    HA   SER  83           HA       SER  83 -18.628   7.186   1.326
  434   1HB   SER  83          HB2       SER  83 -19.978   4.662   0.335
  435   2HB   SER  83          HB3       SER  83 -20.500   5.624   1.720
  436    HG   SER  83           HG       SER  83 -20.761   7.399   0.252
  437    H    ALA  84           HN       ALA  84 -17.113   6.928   2.841
  438    HA   ALA  84           HA       ALA  84 -16.222   4.199   3.485
  439   1HB   ALA  84          HB1       ALA  84 -14.875   6.833   4.085
  440   2HB   ALA  84          HB2       ALA  84 -14.241   5.231   4.465
  441   3HB   ALA  84          HB3       ALA  84 -14.440   5.725   2.784
  442    H    HIS  85           HN       HIS  85 -17.689   3.515   4.980
  443    HA   HIS  85           HA       HIS  85 -17.895   5.143   7.432
  444   1HB   HIS  85          HB2       HIS  85 -19.908   3.227   6.241
  445   2HB   HIS  85          HB3       HIS  85 -20.053   3.926   7.850
  446    HD1  HIS  85           HD1      HIS  85 -21.045   4.471   4.439
  447    HD2  HIS  85           HD2      HIS  85 -20.169   6.904   7.696
  448    HE1  HIS  85           HE1      HIS  85 -22.064   6.710   3.910
  449    HE2  HIS  85           HE2      HIS  85 -21.408   8.202   5.833
  450    H    GLY  86           HN       GLY  86 -16.097   4.241   8.421
  451   1HA   GLY  86          HA1       GLY  86 -15.798   2.696  10.286
  452   2HA   GLY  86          HA2       GLY  86 -16.516   1.445   9.282
  453    H    ARG  87           HN       ARG  87 -15.253   0.286   7.917
  454    HA   ARG  87           HA       ARG  87 -12.408   1.014   7.748
  455   1HB   ARG  87          HB2       ARG  87 -13.588  -1.642   8.555
  456   2HB   ARG  87          HB3       ARG  87 -11.929  -1.474   7.999
  457   1HG   ARG  87          HG2       ARG  87 -11.435   0.010   9.853
  458   2HG   ARG  87          HG3       ARG  87 -13.113  -0.085  10.392
  459   1HD   ARG  87          HD2       ARG  87 -12.904  -2.382  10.933
  460   2HD   ARG  87          HD3       ARG  87 -11.350  -2.505  10.109
  461    HE   ARG  87           HE       ARG  87 -10.837  -0.674  12.007
  462   1HH1  ARG  87          HH1       ARG  87 -12.417  -3.797  12.175
  463   2HH1  ARG  87          HH1       ARG  87 -11.790  -4.164  13.752
  464   1HH2  ARG  87          HH2       ARG  87 -10.029  -1.155  14.103
  465   2HH2  ARG  87          HH2       ARG  87 -10.458  -2.672  14.855
  466    HA   PRO  88           HA       PRO  88 -13.049   0.158   3.402
  467   1HB   PRO  88          HB2       PRO  88 -10.335  -0.180   2.883
  468   2HB   PRO  88          HB3       PRO  88 -11.210   1.352   2.809
  469   1HG   PRO  88          HG2       PRO  88  -9.466   0.258   4.958
  470   2HG   PRO  88          HG3       PRO  88  -9.686   1.940   4.427
  471   1HD   PRO  88          HD2       PRO  88 -10.799   0.979   6.693
  472   2HD   PRO  88          HD3       PRO  88 -11.582   2.222   5.694
  473    H    ASN  89           HN       ASN  89 -13.214  -1.678   2.216
  474    HA   ASN  89           HA       ASN  89 -11.927  -4.110   3.244
  475   1HB   ASN  89          HB2       ASN  89 -13.676  -5.234   1.664
  476   2HB   ASN  89          HB3       ASN  89 -14.181  -4.631   3.235
  477   1HD2  ASN  89          HD21      ASN  89 -13.547  -2.651   0.369
  478   2HD2  ASN  89          HD22      ASN  89 -15.185  -2.130   0.165
  479    H    ILE  90           HN       ILE  90 -10.258  -4.893   2.138
  480    HA   ILE  90           HA       ILE  90  -9.124  -3.223   0.209
  481    HB   ILE  90           HB       ILE  90  -7.816  -4.585   1.785
  482   1HG1  ILE  90          HG12      ILE  90  -6.980  -5.278  -1.010
  483   2HG1  ILE  90          HG13      ILE  90  -6.974  -3.612  -0.438
  484   1HG2  ILE  90          HG21      ILE  90  -7.303  -6.921   1.287
  485   2HG2  ILE  90          HG22      ILE  90  -9.021  -6.698   1.629
  486   3HG2  ILE  90          HG23      ILE  90  -8.473  -6.898  -0.035
  487   1HD1  ILE  90          HD11      ILE  90  -4.782  -4.598  -0.236
  488   2HD1  ILE  90          HD12      ILE  90  -5.445  -4.251   1.358
  489   3HD1  ILE  90          HD13      ILE  90  -5.435  -5.906   0.749
  490    H    LYS  91           HN       LYS  91 -10.841  -6.263  -0.172
  491    HA   LYS  91           HA       LYS  91 -10.233  -6.738  -2.865
  492   1HB   LYS  91          HB2       LYS  91 -12.351  -8.062  -2.863
  493   2HB   LYS  91          HB3       LYS  91 -11.259  -8.445  -1.537
  494   1HG   LYS  91          HG2       LYS  91 -12.605  -6.912  -0.097
  495   2HG   LYS  91          HG3       LYS  91 -13.762  -6.784  -1.420
  496   1HD   LYS  91          HD2       LYS  91 -14.131  -9.192  -1.341
  497   2HD   LYS  91          HD3       LYS  91 -12.936  -9.339  -0.046
  498   1HE   LYS  91          HE2       LYS  91 -15.191  -9.348   0.863
  499   2HE   LYS  91          HE3       LYS  91 -14.310  -7.913   1.382
  500   1HZ   LYS  91          HZ1       LYS  91 -16.415  -8.072  -0.708
  501   2HZ   LYS  91          HZ2       LYS  91 -15.453  -6.699  -0.462
  502   3HZ   LYS  91          HZ3       LYS  91 -16.487  -7.242   0.769
  503    H    ASP  92           HN       ASP  92 -12.297  -4.353  -1.453
  504    HA   ASP  92           HA       ASP  92 -13.382  -3.698  -4.121
  505   1HB   ASP  92          HB2       ASP  92 -14.579  -3.065  -1.410
  506   2HB   ASP  92          HB3       ASP  92 -15.258  -2.589  -2.960
  507    H    VAL  93           HN       VAL  93 -10.857  -2.922  -2.617
  508    HA   VAL  93           HA       VAL  93 -11.227   0.005  -2.728
  509    HB   VAL  93           HB       VAL  93  -9.602  -1.619  -0.768
  510   1HG1  VAL  93          HG11      VAL  93  -8.191   0.185  -1.530
  511   2HG1  VAL  93          HG12      VAL  93  -9.488   1.349  -1.257
  512   3HG1  VAL  93          HG13      VAL  93  -8.753   0.511   0.108
  513   1HG2  VAL  93          HG21      VAL  93 -11.888  -1.312  -0.099
  514   2HG2  VAL  93          HG22      VAL  93 -10.863  -0.274   0.892
  515   3HG2  VAL  93          HG23      VAL  93 -11.799   0.417  -0.432
  516    H    LEU  94           HN       LEU  94  -8.873  -2.644  -2.932
  517    HA   LEU  94           HA       LEU  94  -7.363  -1.008  -4.849
  518   1HB   LEU  94          HB2       LEU  94  -6.510  -3.393  -3.218
  519   2HB   LEU  94          HB3       LEU  94  -5.525  -2.661  -4.464
  520    HG   LEU  94           HG       LEU  94  -6.452  -1.204  -1.990
  521   1HD1  LEU  94          HD11      LEU  94  -4.147  -1.494  -1.200
  522   2HD1  LEU  94          HD12      LEU  94  -4.969  -3.041  -1.389
  523   3HD1  LEU  94          HD13      LEU  94  -3.800  -2.512  -2.597
  524   1HD2  LEU  94          HD21      LEU  94  -4.729   0.408  -2.647
  525   2HD2  LEU  94          HD22      LEU  94  -4.392  -0.543  -4.095
  526   3HD2  LEU  94          HD23      LEU  94  -5.962   0.237  -3.897
  527    H    ARG  95           HN       ARG  95  -6.434  -2.178  -6.665
  528    HA   ARG  95           HA       ARG  95  -7.541  -4.757  -7.314
  529   1HB   ARG  95          HB2       ARG  95  -8.348  -4.052  -9.541
  530   2HB   ARG  95          HB3       ARG  95  -9.267  -3.320  -8.236
  531   1HG   ARG  95          HG2       ARG  95  -6.994  -1.833  -9.465
  532   2HG   ARG  95          HG3       ARG  95  -8.547  -1.907 -10.296
  533   1HD   ARG  95          HD2       ARG  95  -8.029  -0.854  -7.516
  534   2HD   ARG  95          HD3       ARG  95  -8.410   0.103  -8.947
  535    HE   ARG  95           HE       ARG  95 -10.491  -1.701  -8.631
  536   1HH1  ARG  95          HH1       ARG  95  -9.121   1.051  -6.933
  537   2HH1  ARG  95          HH1       ARG  95 -10.570   1.376  -6.036
  538   1HH2  ARG  95          HH2       ARG  95 -12.417  -1.224  -7.492
  539   2HH2  ARG  95          HH2       ARG  95 -12.440   0.098  -6.352
  540    H    GLU  96           HN       GLU  96  -6.306  -5.853  -8.846
  541    HA   GLU  96           HA       GLU  96  -3.577  -5.230  -8.918
  542   1HB   GLU  96          HB2       GLU  96  -5.150  -7.084 -10.725
  543   2HB   GLU  96          HB3       GLU  96  -3.395  -7.056 -10.572
  544   1HG   GLU  96          HG2       GLU  96  -3.540  -7.726  -8.263
  545   2HG   GLU  96          HG3       GLU  96  -5.300  -7.641  -8.316
  546    H    GLY  97           HN       GLY  97  -2.615  -3.668  -9.963
  547   1HA   GLY  97          HA1       GLY  97  -2.051  -2.627 -12.086
  548   2HA   GLY  97          HA2       GLY  97  -3.744  -2.779 -12.538
  549    H    GLN  98           HN       GLN  98  -3.852  -1.912  -9.381
  550    HA   GLN  98           HA       GLN  98  -4.047   0.936 -10.038
  551   1HB   GLN  98          HB2       GLN  98  -5.854  -0.380  -8.710
  552   2HB   GLN  98          HB3       GLN  98  -4.736  -0.250  -7.359
  553   1HG   GLN  98          HG2       GLN  98  -4.760   2.188  -7.571
  554   2HG   GLN  98          HG3       GLN  98  -5.899   2.057  -8.908
  555   1HE2  GLN  98          HE21      GLN  98  -5.943   0.125  -5.972
  556   2HE2  GLN  98          HE22      GLN  98  -7.431   0.760  -5.357
  557    H    GLU  99           HN       GLU  99  -2.676   2.424  -9.282
  558    HA   GLU  99           HA       GLU  99  -0.200   1.533  -8.120
  559   1HB   GLU  99          HB2       GLU  99   0.435   3.918  -8.285
  560   2HB   GLU  99          HB3       GLU  99  -0.173   3.272  -9.815
  561   1HG   GLU  99          HG2       GLU  99  -2.376   4.245  -9.283
  562   2HG   GLU  99          HG3       GLU  99  -1.674   4.967  -7.830
  563    H    VAL 100           HN       VAL 100   0.728   2.315  -6.218
  564    HA   VAL 100           HA       VAL 100  -0.974   3.821  -4.371
  565    HB   VAL 100           HB       VAL 100  -0.204   2.464  -2.471
  566   1HG1  VAL 100          HG11      VAL 100  -1.684   0.936  -4.600
  567   2HG1  VAL 100          HG12      VAL 100  -1.605   0.472  -2.898
  568   3HG1  VAL 100          HG13      VAL 100  -2.375   1.991  -3.364
  569   1HG2  VAL 100          HG21      VAL 100   0.901   0.594  -4.562
  570   2HG2  VAL 100          HG22      VAL 100   1.856   1.598  -3.467
  571   3HG2  VAL 100          HG23      VAL 100   0.851   0.296  -2.823
  572    H    ILE 101           HN       ILE 101   0.186   5.139  -2.945
  573    HA   ILE 101           HA       ILE 101   3.048   5.427  -3.490
  574    HB   ILE 101           HB       ILE 101   1.514   7.108  -1.524
  575   1HG1  ILE 101          HG12      ILE 101   0.160   7.129  -3.557
  576   2HG1  ILE 101          HG13      ILE 101   0.940   8.685  -3.314
  577   1HG2  ILE 101          HG21      ILE 101   3.920   7.364  -1.594
  578   2HG2  ILE 101          HG22      ILE 101   3.857   7.675  -3.328
  579   3HG2  ILE 101          HG23      ILE 101   3.134   8.822  -2.200
  580   1HD1  ILE 101          HD11      ILE 101   0.969   7.978  -5.651
  581   2HD1  ILE 101          HD12      ILE 101   2.596   8.144  -4.991
  582   3HD1  ILE 101          HD13      ILE 101   1.888   6.541  -5.200
  583    H    VAL 102           HN       VAL 102   4.285   4.082  -2.283
  584    HA   VAL 102           HA       VAL 102   3.599   3.743   0.545
  585    HB   VAL 102           HB       VAL 102   4.199   1.260   0.247
  586   1HG1  VAL 102          HG11      VAL 102   1.850   0.709  -0.205
  587   2HG1  VAL 102          HG12      VAL 102   2.012   2.053   0.928
  588   3HG1  VAL 102          HG13      VAL 102   1.579   2.362  -0.753
  589   1HG2  VAL 102          HG21      VAL 102   3.430   1.990  -2.579
  590   2HG2  VAL 102          HG22      VAL 102   4.964   1.309  -2.039
  591   3HG2  VAL 102          HG23      VAL 102   3.491   0.339  -1.954
  592    H    GLN 103           HN       GLN 103   5.291   4.088   1.745
  593    HA   GLN 103           HA       GLN 103   7.937   3.611   0.627
  594   1HB   GLN 103          HB2       GLN 103   8.808   4.901   2.511
  595   2HB   GLN 103          HB3       GLN 103   7.579   5.814   1.653
  596   1HG   GLN 103          HG2       GLN 103   5.956   5.051   3.417
  597   2HG   GLN 103          HG3       GLN 103   7.355   4.462   4.318
  598   1HE2  GLN 103          HE21      GLN 103   5.603   7.233   3.245
  599   2HE2  GLN 103          HE22      GLN 103   6.451   8.397   4.201
  600    H    ILE 104           HN       ILE 104   9.233   2.073   1.385
  601    HA   ILE 104           HA       ILE 104   7.954  -0.116   2.686
  602    HB   ILE 104           HB       ILE 104  10.717   0.340   1.598
  603   1HG1  ILE 104          HG12      ILE 104   8.879  -0.011   0.012
  604   2HG1  ILE 104          HG13      ILE 104  10.006  -1.364  -0.015
  605   1HG2  ILE 104          HG21      ILE 104  11.221  -2.010   2.023
  606   2HG2  ILE 104          HG22      ILE 104  10.994  -1.111   3.526
  607   3HG2  ILE 104          HG23      ILE 104   9.713  -2.168   2.925
  608   1HD1  ILE 104          HD11      ILE 104   7.668  -2.095  -0.112
  609   2HD1  ILE 104          HD12      ILE 104   8.487  -2.691   1.328
  610   3HD1  ILE 104          HD13      ILE 104   7.373  -1.331   1.450
  611    H    ASP 105           HN       ASP 105   7.500   0.096   4.729
  612    HA   ASP 105           HA       ASP 105   9.067   1.464   6.664
  613   1HB   ASP 105          HB2       ASP 105   6.666   1.165   6.973
  614   2HB   ASP 105          HB3       ASP 105   6.853  -0.585   6.957
  615    H    LYS 106           HN       LYS 106   8.599  -1.922   5.820
  616    HA   LYS 106           HA       LYS 106  11.087  -2.556   7.256
  617   1HB   LYS 106          HB2       LYS 106   8.827  -4.476   6.663
  618   2HB   LYS 106          HB3       LYS 106  10.259  -4.790   7.636
  619   1HG   LYS 106          HG2       LYS 106   9.482  -3.515   9.419
  620   2HG   LYS 106          HG3       LYS 106   8.330  -2.636   8.412
  621   1HD   LYS 106          HD2       LYS 106   7.058  -4.748   8.119
  622   2HD   LYS 106          HD3       LYS 106   8.162  -5.527   9.254
  623   1HE   LYS 106          HE2       LYS 106   6.105  -4.836  10.365
  624   2HE   LYS 106          HE3       LYS 106   7.493  -3.951  10.994
  625   1HZ   LYS 106          HZ1       LYS 106   5.550  -2.530  10.620
  626   2HZ   LYS 106          HZ2       LYS 106   5.595  -2.895   8.963
  627   3HZ   LYS 106          HZ3       LYS 106   6.880  -2.047   9.680
  628    H    GLU 107           HN       GLU 107  12.682  -3.173   5.956
  629    HA   GLU 107           HA       GLU 107  12.189  -3.313   3.136
  630   1HB   GLU 107          HB2       GLU 107  14.725  -3.502   4.733
  631   2HB   GLU 107          HB3       GLU 107  14.624  -3.323   2.999
  632   1HG   GLU 107          HG2       GLU 107  13.543  -1.141   3.291
  633   2HG   GLU 107          HG3       GLU 107  13.709  -1.319   5.038
  634    H    GLU 108           HN       GLU 108  13.120  -5.016   1.829
  635    HA   GLU 108           HA       GLU 108  12.361  -7.576   2.685
  636   1HB   GLU 108          HB2       GLU 108  14.272  -7.003   0.421
  637   2HB   GLU 108          HB3       GLU 108  13.169  -8.355   0.600
  638   1HG   GLU 108          HG2       GLU 108  11.272  -6.895   0.324
  639   2HG   GLU 108          HG3       GLU 108  12.344  -5.506   0.168
  640    H    ARG 109           HN       ARG 109  13.367  -8.077   4.547
  641    HA   ARG 109           HA       ARG 109  16.244  -8.649   4.417
  642   1HB   ARG 109          HB2       ARG 109  16.312  -8.018   6.863
  643   2HB   ARG 109          HB3       ARG 109  16.063  -6.677   5.759
  644   1HG   ARG 109          HG2       ARG 109  13.636  -6.821   6.234
  645   2HG   ARG 109          HG3       ARG 109  13.982  -8.055   7.442
  646   1HD   ARG 109          HD2       ARG 109  13.713  -5.876   8.488
  647   2HD   ARG 109          HD3       ARG 109  15.369  -6.453   8.674
  648    HE   ARG 109           HE       ARG 109  15.803  -4.934   6.642
  649   1HH1  ARG 109          HH1       ARG 109  13.424  -4.257   9.141
  650   2HH1  ARG 109          HH1       ARG 109  13.547  -2.532   8.959
  651   1HH2  ARG 109          HH2       ARG 109  15.961  -2.660   6.425
  652   2HH2  ARG 109          HH2       ARG 109  14.989  -1.638   7.438
  653    H    GLY 110           HN       GLY 110  14.216 -10.432   3.800
  654   1HA   GLY 110          HA1       GLY 110  13.998 -12.699   4.154
  655   2HA   GLY 110          HA2       GLY 110  14.899 -12.530   5.649
  656    H    ASN 111           HN       ASN 111  13.719 -11.647   7.513
  657    HA   ASN 111           HA       ASN 111  11.547 -13.396   7.925
  658   1HB   ASN 111          HB2       ASN 111  13.145 -12.880   9.672
  659   2HB   ASN 111          HB3       ASN 111  12.624 -11.199   9.690
  660   1HD2  ASN 111          HD21      ASN 111  11.611 -14.499  10.305
  661   2HD2  ASN 111          HD22      ASN 111  10.381 -14.103  11.461
  662    H    LYS 112           HN       LYS 112  11.543 -10.015   7.031
  663    HA   LYS 112           HA       LYS 112   8.639 -10.012   7.480
  664   1HB   LYS 112          HB2       LYS 112  10.606  -7.749   7.710
  665   2HB   LYS 112          HB3       LYS 112   8.908  -7.442   7.382
  666   1HG   LYS 112          HG2       LYS 112   8.917  -7.241   9.644
  667   2HG   LYS 112          HG3       LYS 112   8.565  -8.964   9.501
  668   1HD   LYS 112          HD2       LYS 112  10.911  -9.490   9.866
  669   2HD   LYS 112          HD3       LYS 112  11.299  -7.768   9.939
  670   1HE   LYS 112          HE2       LYS 112   9.690  -7.597  11.863
  671   2HE   LYS 112          HE3       LYS 112   9.608  -9.358  11.858
  672   1HZ   LYS 112          HZ1       LYS 112  12.000  -9.425  12.248
  673   2HZ   LYS 112          HZ2       LYS 112  11.201  -8.567  13.473
  674   3HZ   LYS 112          HZ3       LYS 112  12.058  -7.730  12.273
  675    H    GLY 113           HN       GLY 113  11.284  -9.100   5.410
  676   1HA   GLY 113          HA1       GLY 113  11.374  -9.017   3.115
  677   2HA   GLY 113          HA2       GLY 113   9.689  -9.526   3.073
  678    H    ALA 114           HN       ALA 114   8.976  -8.045   1.652
  679    HA   ALA 114           HA       ALA 114   9.674  -5.251   2.045
  680   1HB   ALA 114          HB1       ALA 114   8.676  -4.836  -0.105
  681   2HB   ALA 114          HB2       ALA 114   9.750  -6.226  -0.226
  682   3HB   ALA 114          HB3       ALA 114   8.005  -6.467  -0.152
  683    H    ALA 115           HN       ALA 115   8.502  -4.298   3.609
  684    HA   ALA 115           HA       ALA 115   5.608  -4.834   3.715
  685   1HB   ALA 115          HB1       ALA 115   7.426  -3.651   5.805
  686   2HB   ALA 115          HB2       ALA 115   5.695  -3.944   5.990
  687   3HB   ALA 115          HB3       ALA 115   6.804  -5.302   5.779
  688    H    LEU 116           HN       LEU 116   4.274  -3.309   2.996
  689    HA   LEU 116           HA       LEU 116   5.321  -0.644   2.426
  690   1HB   LEU 116          HB2       LEU 116   2.520  -1.639   1.910
  691   2HB   LEU 116          HB3       LEU 116   3.335  -0.275   1.163
  692    HG   LEU 116           HG       LEU 116   4.203  -3.131   0.736
  693   1HD1  LEU 116          HD11      LEU 116   3.022  -3.021  -1.393
  694   2HD1  LEU 116          HD12      LEU 116   1.903  -2.849  -0.041
  695   3HD1  LEU 116          HD13      LEU 116   2.387  -1.430  -0.970
  696   1HD2  LEU 116          HD21      LEU 116   5.844  -1.325   0.298
  697   2HD2  LEU 116          HD22      LEU 116   5.394  -2.230  -1.145
  698   3HD2  LEU 116          HD23      LEU 116   4.715  -0.629  -0.860
  699    H    THR 117           HN       THR 117   4.255   1.252   3.210
  700    HA   THR 117           HA       THR 117   2.558   0.802   5.576
  701    HB   THR 117           HB       THR 117   4.927   1.596   6.072
  702    HG1  THR 117           HG1      THR 117   3.365   1.944   7.631
  703   1HG2  THR 117          HG21      THR 117   5.382   3.973   5.716
  704   2HG2  THR 117          HG22      THR 117   3.858   4.136   4.843
  705   3HG2  THR 117          HG23      THR 117   5.150   3.136   4.181
  706    H    THR 118           HN       THR 118   1.353   2.899   6.140
  707    HA   THR 118           HA       THR 118   0.669   4.422   3.719
  708    HB   THR 118           HB       THR 118  -1.671   4.566   4.683
  709    HG1  THR 118           HG1      THR 118  -2.195   2.859   6.139
  710   1HG2  THR 118          HG21      THR 118  -2.332   2.384   3.763
  711   2HG2  THR 118          HG22      THR 118  -0.648   1.861   3.802
  712   3HG2  THR 118          HG23      THR 118  -1.134   3.181   2.740
  713    H    PHE 119           HN       PHE 119   2.337   4.755   6.288
  714    HA   PHE 119           HA       PHE 119   1.198   7.085   7.543
  715   1HB   PHE 119          HB2       PHE 119   2.841   5.429   8.591
  716   2HB   PHE 119          HB3       PHE 119   4.089   6.191   7.613
  717    HD1  PHE 119           HD1      PHE 119   1.410   7.092  10.050
  718    HD2  PHE 119           HD2      PHE 119   5.305   7.898   8.537
  719    HE1  PHE 119           HE1      PHE 119   1.727   8.801  11.792
  720    HE2  PHE 119           HE2      PHE 119   5.631   9.604  10.278
  721    HZ   PHE 119           HZ       PHE 119   3.835  10.025  11.939
  722    H    ILE 120           HN       ILE 120   0.989   7.530   4.969
  723    HA   ILE 120           HA       ILE 120   3.215   9.264   4.126
  724    HB   ILE 120           HB       ILE 120   1.661   7.551   2.191
  725   1HG1  ILE 120          HG12      ILE 120   4.283   6.714   3.426
  726   2HG1  ILE 120          HG13      ILE 120   2.734   6.181   4.070
  727   1HG2  ILE 120          HG21      ILE 120   3.714   7.779   0.845
  728   2HG2  ILE 120          HG22      ILE 120   2.994   9.339   1.240
  729   3HG2  ILE 120          HG23      ILE 120   4.420   8.777   2.116
  730   1HD1  ILE 120          HD11      ILE 120   3.858   5.624   1.344
  731   2HD1  ILE 120          HD12      ILE 120   3.612   4.479   2.664
  732   3HD1  ILE 120          HD13      ILE 120   2.222   5.202   1.853
  733    H    SER 121           HN       SER 121   2.424  10.642   2.193
  734    HA   SER 121           HA       SER 121   0.017  12.004   2.893
  735   1HB   SER 121          HB2       SER 121   1.668  12.312   0.379
  736   2HB   SER 121          HB3       SER 121   0.575  13.499   1.093
  737    HG   SER 121           HG       SER 121   1.984  13.853   2.724
  738    H    LEU 122           HN       LEU 122  -1.213   9.875   2.649
  739    HA   LEU 122           HA       LEU 122  -2.248   9.644  -0.091
  740   1HB   LEU 122          HB2       LEU 122  -2.096   7.602   2.122
  741   2HB   LEU 122          HB3       LEU 122  -3.054   7.382   0.674
  742    HG   LEU 122           HG       LEU 122  -0.143   7.945   0.366
  743   1HD1  LEU 122          HD11      LEU 122   0.355   5.570   0.608
  744   2HD1  LEU 122          HD12      LEU 122  -0.254   6.243   2.121
  745   3HD1  LEU 122          HD13      LEU 122  -1.310   5.263   1.101
  746   1HD2  LEU 122          HD21      LEU 122  -0.406   6.543  -1.592
  747   2HD2  LEU 122          HD22      LEU 122  -2.045   6.111  -1.108
  748   3HD2  LEU 122          HD23      LEU 122  -1.676   7.766  -1.589
  749    H    ALA 123           HN       ALA 123  -4.573   8.879  -0.056
  750    HA   ALA 123           HA       ALA 123  -6.740   8.925   0.616
  751   1HB   ALA 123          HB1       ALA 123  -5.841   9.991   3.286
  752   2HB   ALA 123          HB2       ALA 123  -7.391   9.249   2.892
  753   3HB   ALA 123          HB3       ALA 123  -5.917   8.277   2.881
  754    H    GLY 124           HN       GLY 124  -6.094  10.733  -1.044
  755   1HA   GLY 124          HA1       GLY 124  -7.163  12.609  -1.877
  756   2HA   GLY 124          HA2       GLY 124  -7.805  12.931  -0.272
  757    H    SER 125           HN       SER 125  -4.421  12.409  -1.047
  758    HA   SER 125           HA       SER 125  -3.905  15.162  -0.143
  759   1HB   SER 125          HB2       SER 125  -2.065  12.754  -0.089
  760   2HB   SER 125          HB3       SER 125  -1.689  14.356   0.546
  761    HG   SER 125           HG       SER 125  -4.030  13.198   1.481
  Start of MODEL    9
    1   1H    GLY  30           H1       GLY  30  18.641  14.537 -10.275
    2   2H    GLY  30           H2       GLY  30  18.971  13.436  -9.032
    3   3H    GLY  30           H3       GLY  30  19.030  15.103  -8.722
    4   1HA   GLY  30          HA2       GLY  30  16.621  15.228  -9.264
    5   2HA   GLY  30          HA1       GLY  30  16.630  13.470  -9.331
    6    H    SER  31           HN       SER  31  14.925  14.191  -7.579
    7    HA   SER  31           HA       SER  31  16.313  14.192  -4.984
    8   1HB   SER  31          HB2       SER  31  14.272  15.494  -4.150
    9   2HB   SER  31          HB3       SER  31  15.424  16.371  -5.157
   10    HG   SER  31           HG       SER  31  12.809  15.867  -5.603
   11    H    HIS  32           HN       HIS  32  14.683  12.238  -6.910
   12    HA   HIS  32           HA       HIS  32  12.629  11.295  -5.107
   13   1HB   HIS  32          HB2       HIS  32  13.573  10.518  -7.819
   14   2HB   HIS  32          HB3       HIS  32  12.689   9.324  -6.876
   15    HD1  HIS  32           HD1      HIS  32  10.238   9.939  -6.203
   16    HD2  HIS  32           HD2      HIS  32  12.033  12.532  -8.911
   17    HE1  HIS  32           HE1      HIS  32   8.358  11.285  -7.195
   18    HE2  HIS  32           HE2      HIS  32   9.449  12.691  -8.988
   19    H    MET  33           HN       MET  33  15.301  11.306  -4.089
   20    HA   MET  33           HA       MET  33  15.347   8.517  -3.188
   21   1HB   MET  33          HB2       MET  33  17.822  10.196  -3.691
   22   2HB   MET  33          HB3       MET  33  17.796   8.573  -3.026
   23   1HG   MET  33          HG2       MET  33  18.426   8.247  -5.224
   24   2HG   MET  33          HG3       MET  33  16.701   7.893  -5.244
   25   1HE   MET  33          HE1       MET  33  19.498  10.484  -6.149
   26   2HE   MET  33          HE2       MET  33  18.552  11.824  -6.794
   27   3HE   MET  33          HE3       MET  33  18.450  11.418  -5.082
   28    H    LEU  34           HN       LEU  34  14.453  11.375  -2.420
   29    HA   LEU  34           HA       LEU  34  15.884  11.591   0.141
   30   1HB   LEU  34          HB2       LEU  34  14.639  13.811  -1.472
   31   2HB   LEU  34          HB3       LEU  34  15.487  13.999   0.049
   32    HG   LEU  34           HG       LEU  34  16.719  13.092  -2.554
   33   1HD1  LEU  34          HD11      LEU  34  17.903  15.226  -2.460
   34   2HD1  LEU  34          HD12      LEU  34  16.156  15.459  -2.546
   35   3HD1  LEU  34          HD13      LEU  34  16.999  15.663  -1.011
   36   1HD2  LEU  34          HD21      LEU  34  18.842  13.215  -1.372
   37   2HD2  LEU  34          HD22      LEU  34  17.998  13.624   0.121
   38   3HD2  LEU  34          HD23      LEU  34  17.771  12.037  -0.614
   39    H    GLU  35           HN       GLU  35  12.842  12.619  -1.370
   40    HA   GLU  35           HA       GLU  35  10.710  12.775  -0.564
   41   1HB   GLU  35          HB2       GLU  35  11.714  10.175   0.516
   42   2HB   GLU  35          HB3       GLU  35  10.094  10.730   0.915
   43   1HG   GLU  35          HG2       GLU  35   9.900   9.291  -0.946
   44   2HG   GLU  35          HG3       GLU  35   9.644  10.930  -1.531
   45    H    GLN  36           HN       GLN  36  12.559  14.348   0.896
   46    HA   GLN  36           HA       GLN  36  12.724  15.620   2.761
   47   1HB   GLN  36          HB2       GLN  36   9.985  14.493   3.383
   48   2HB   GLN  36          HB3       GLN  36  10.734  15.851   4.214
   49   1HG   GLN  36          HG2       GLN  36  10.734  17.137   2.161
   50   2HG   GLN  36          HG3       GLN  36  10.033  15.775   1.287
   51   1HE2  GLN  36          HE21      GLN  36   7.886  15.227   1.642
   52   2HE2  GLN  36          HE22      GLN  36   6.772  16.302   2.411
   53    H    LYS  37           HN       LYS  37  10.930  14.096   5.112
   54    HA   LYS  37           HA       LYS  37  13.296  12.722   6.156
   55   1HB   LYS  37          HB2       LYS  37  11.021  14.118   7.363
   56   2HB   LYS  37          HB3       LYS  37  11.366  12.572   8.127
   57   1HG   LYS  37          HG2       LYS  37  13.687  13.276   8.486
   58   2HG   LYS  37          HG3       LYS  37  13.320  14.834   7.742
   59   1HD   LYS  37          HD2       LYS  37  13.280  14.939  10.202
   60   2HD   LYS  37          HD3       LYS  37  11.713  15.326   9.490
   61   1HE   LYS  37          HE2       LYS  37  11.422  13.888  11.419
   62   2HE   LYS  37          HE3       LYS  37  10.952  13.035   9.950
   63   1HZ   LYS  37          HZ1       LYS  37  12.237  11.620  11.420
   64   2HZ   LYS  37          HZ2       LYS  37  13.530  12.717  11.406
   65   3HZ   LYS  37          HZ3       LYS  37  13.099  11.897   9.985
   66    H    LYS  38           HN       LYS  38  10.766  12.018   4.298
   67    HA   LYS  38           HA       LYS  38  10.059   9.451   5.441
   68   1HB   LYS  38          HB2       LYS  38   8.254  10.509   4.379
   69   2HB   LYS  38          HB3       LYS  38   9.239  11.049   3.032
   70   1HG   LYS  38          HG2       LYS  38   9.201   8.935   2.009
   71   2HG   LYS  38          HG3       LYS  38   8.631   8.145   3.482
   72   1HD   LYS  38          HD2       LYS  38   6.858   8.426   1.772
   73   2HD   LYS  38          HD3       LYS  38   6.481   9.221   3.298
   74   1HE   LYS  38          HE2       LYS  38   5.867  10.721   1.561
   75   2HE   LYS  38          HE3       LYS  38   7.345  11.351   2.285
   76   1HZ   LYS  38          HZ1       LYS  38   7.099   9.880  -0.279
   77   2HZ   LYS  38          HZ2       LYS  38   8.577  10.298   0.431
   78   3HZ   LYS  38          HZ3       LYS  38   7.505  11.510  -0.076
   79    H    ALA  39           HN       ALA  39  10.500   7.445   4.349
   80    HA   ALA  39           HA       ALA  39  13.122   7.367   3.191
   81   1HB   ALA  39          HB1       ALA  39  11.078   5.159   3.449
   82   2HB   ALA  39          HB2       ALA  39  12.784   4.956   3.055
   83   3HB   ALA  39          HB3       ALA  39  12.311   5.554   4.646
   84    H    ASN  40           HN       ASN  40  13.457   6.137   1.111
   85    HA   ASN  40           HA       ASN  40  12.430   7.429  -1.077
   86   1HB   ASN  40          HB2       ASN  40  14.403   5.898  -1.066
   87   2HB   ASN  40          HB3       ASN  40  13.285   4.543  -0.989
   88   1HD2  ASN  40          HD21      ASN  40  12.710   7.441  -2.871
   89   2HD2  ASN  40          HD22      ASN  40  12.877   6.686  -4.421
   90    H    ILE  41           HN       ILE  41  10.467   7.527  -1.901
   91    HA   ILE  41           HA       ILE  41   8.449   5.663  -0.983
   92    HB   ILE  41           HB       ILE  41   8.095   8.158  -1.135
   93   1HG1  ILE  41          HG12      ILE  41   5.779   7.856  -2.274
   94   2HG1  ILE  41          HG13      ILE  41   6.239   6.154  -2.353
   95   1HG2  ILE  41          HG21      ILE  41   9.086   8.649  -3.247
   96   2HG2  ILE  41          HG22      ILE  41   7.970   7.566  -4.077
   97   3HG2  ILE  41          HG23      ILE  41   7.367   9.042  -3.325
   98   1HD1  ILE  41          HD11      ILE  41   6.120   7.837   0.135
   99   2HD1  ILE  41          HD12      ILE  41   4.918   6.643  -0.367
  100   3HD1  ILE  41          HD13      ILE  41   6.551   6.126   0.057
  101    H    TYR  42           HN       TYR  42   7.352   4.171  -2.266
  102    HA   TYR  42           HA       TYR  42   8.589   3.751  -4.898
  103   1HB   TYR  42          HB2       TYR  42   7.664   1.741  -2.851
  104   2HB   TYR  42          HB3       TYR  42   8.028   1.313  -4.521
  105    HD1  TYR  42           HD1      TYR  42   9.388   2.069  -1.266
  106    HD2  TYR  42           HD2      TYR  42  10.358   1.643  -5.383
  107    HE1  TYR  42           HE1      TYR  42  11.762   1.836  -0.674
  108    HE2  TYR  42           HE2      TYR  42  12.735   1.409  -4.805
  109    HH   TYR  42           HH       TYR  42  13.799   0.962  -1.566
  110    H    LYS  43           HN       LYS  43   7.321   4.072  -6.492
  111    HA   LYS  43           HA       LYS  43   4.436   4.016  -6.167
  112   1HB   LYS  43          HB2       LYS  43   6.327   4.956  -8.306
  113   2HB   LYS  43          HB3       LYS  43   4.614   4.772  -8.648
  114   1HG   LYS  43          HG2       LYS  43   5.669   6.448  -6.390
  115   2HG   LYS  43          HG3       LYS  43   5.387   7.077  -8.014
  116   1HD   LYS  43          HD2       LYS  43   3.258   5.647  -6.450
  117   2HD   LYS  43          HD3       LYS  43   3.513   7.389  -6.326
  118   1HE   LYS  43          HE2       LYS  43   2.970   5.912  -8.899
  119   2HE   LYS  43          HE3       LYS  43   1.744   6.750  -7.950
  120   1HZ   LYS  43          HZ1       LYS  43   4.125   8.006  -9.216
  121   2HZ   LYS  43          HZ2       LYS  43   2.980   8.818  -8.264
  122   3HZ   LYS  43          HZ3       LYS  43   2.522   8.141  -9.749
  123    H    GLY  44           HN       GLY  44   3.643   2.055  -6.178
  124   1HA   GLY  44          HA1       GLY  44   4.280   0.318  -8.463
  125   2HA   GLY  44          HA2       GLY  44   4.451  -0.331  -6.833
  126    H    LYS  45           HN       LYS  45   2.689  -1.502  -8.625
  127    HA   LYS  45           HA       LYS  45   0.111  -0.561  -7.567
  128   1HB   LYS  45          HB2       LYS  45   0.504  -2.022 -10.170
  129   2HB   LYS  45          HB3       LYS  45  -0.994  -1.336  -9.549
  130   1HG   LYS  45          HG2       LYS  45  -0.498   0.429 -10.827
  131   2HG   LYS  45          HG3       LYS  45   0.673   0.837  -9.572
  132   1HD   LYS  45          HD2       LYS  45   1.742   0.909 -11.740
  133   2HD   LYS  45          HD3       LYS  45   2.389  -0.446 -10.807
  134   1HE   LYS  45          HE2       LYS  45   1.012  -2.002 -12.009
  135   2HE   LYS  45          HE3       LYS  45   0.171  -0.685 -12.828
  136   1HZ   LYS  45          HZ1       LYS  45   3.095  -1.026 -13.117
  137   2HZ   LYS  45          HZ2       LYS  45   2.001  -0.235 -14.147
  138   3HZ   LYS  45          HZ3       LYS  45   2.013  -1.928 -14.069
  139    H    ILE  46           HN       ILE  46  -1.530  -2.140  -7.379
  140    HA   ILE  46           HA       ILE  46  -0.743  -4.403  -5.911
  141    HB   ILE  46           HB       ILE  46  -3.317  -3.334  -6.982
  142   1HG1  ILE  46          HG12      ILE  46  -3.928  -3.501  -4.569
  143   2HG1  ILE  46          HG13      ILE  46  -2.318  -4.133  -4.244
  144   1HG2  ILE  46          HG21      ILE  46  -3.484  -5.711  -7.447
  145   2HG2  ILE  46          HG22      ILE  46  -3.030  -6.082  -5.783
  146   3HG2  ILE  46          HG23      ILE  46  -4.549  -5.252  -6.118
  147   1HD1  ILE  46          HD11      ILE  46  -2.464  -1.773  -3.691
  148   2HD1  ILE  46          HD12      ILE  46  -1.343  -2.027  -5.029
  149   3HD1  ILE  46          HD13      ILE  46  -2.963  -1.402  -5.341
  150    H    THR  47           HN       THR  47  -0.662  -6.577  -6.426
  151    HA   THR  47           HA       THR  47  -1.326  -7.319  -9.207
  152    HB   THR  47           HB       THR  47   0.478  -8.960  -9.164
  153    HG1  THR  47           HG1      THR  47   1.050  -9.505  -7.171
  154   1HG2  THR  47          HG21      THR  47   2.314  -7.389  -9.299
  155   2HG2  THR  47          HG22      THR  47   1.384  -6.201  -8.378
  156   3HG2  THR  47          HG23      THR  47   0.857  -6.680  -9.992
  157    H    ARG  48           HN       ARG  48  -1.312  -8.220  -5.824
  158    HA   ARG  48           HA       ARG  48  -3.250 -10.321  -6.431
  159   1HB   ARG  48          HB2       ARG  48  -1.079 -11.420  -6.208
  160   2HB   ARG  48          HB3       ARG  48  -0.861 -10.693  -4.624
  161   1HG   ARG  48          HG2       ARG  48  -3.111 -11.859  -4.057
  162   2HG   ARG  48          HG3       ARG  48  -2.743 -12.860  -5.460
  163   1HD   ARG  48          HD2       ARG  48  -0.863 -12.443  -3.146
  164   2HD   ARG  48          HD3       ARG  48  -1.996 -13.796  -3.261
  165    HE   ARG  48           HE       ARG  48  -0.154 -13.438  -5.493
  166   1HH1  ARG  48          HH1       ARG  48  -0.946 -15.140  -2.541
  167   2HH1  ARG  48          HH1       ARG  48   0.224 -16.399  -2.797
  168   1HH2  ARG  48          HH2       ARG  48   1.380 -15.087  -5.847
  169   2HH2  ARG  48          HH2       ARG  48   1.552 -16.371  -4.680
  170    H    ILE  49           HN       ILE  49  -4.956 -10.130  -5.213
  171    HA   ILE  49           HA       ILE  49  -4.651  -9.068  -2.492
  172    HB   ILE  49           HB       ILE  49  -6.776  -8.249  -4.480
  173   1HG1  ILE  49          HG12      ILE  49  -4.789  -6.547  -3.007
  174   2HG1  ILE  49          HG13      ILE  49  -4.477  -7.183  -4.617
  175   1HG2  ILE  49          HG21      ILE  49  -7.690  -6.859  -2.703
  176   2HG2  ILE  49          HG22      ILE  49  -7.715  -8.558  -2.231
  177   3HG2  ILE  49          HG23      ILE  49  -6.481  -7.478  -1.579
  178   1HD1  ILE  49          HD11      ILE  49  -6.538  -6.037  -5.376
  179   2HD1  ILE  49          HD12      ILE  49  -6.639  -5.277  -3.785
  180   3HD1  ILE  49          HD13      ILE  49  -5.248  -4.961  -4.832
  181    H    GLU  50           HN       GLU  50  -5.404 -10.470  -1.098
  182    HA   GLU  50           HA       GLU  50  -7.404 -12.411  -2.034
  183   1HB   GLU  50          HB2       GLU  50  -5.204 -13.390  -1.470
  184   2HB   GLU  50          HB3       GLU  50  -5.337 -12.733   0.151
  185   1HG   GLU  50          HG2       GLU  50  -5.869 -15.157  -0.057
  186   2HG   GLU  50          HG3       GLU  50  -7.130 -14.178   0.693
  187    HA   PRO  51           HA       PRO  51 -10.131 -10.102   0.691
  188   1HB   PRO  51          HB2       PRO  51 -11.754 -12.529   0.081
  189   2HB   PRO  51          HB3       PRO  51 -12.203 -10.824  -0.021
  190   1HG   PRO  51          HG2       PRO  51 -11.695 -12.220  -2.223
  191   2HG   PRO  51          HG3       PRO  51 -11.163 -10.534  -2.072
  192   1HD   PRO  51          HD2       PRO  51  -9.575 -13.052  -1.860
  193   2HD   PRO  51          HD3       PRO  51  -9.118 -11.481  -2.545
  194    H    SER  52           HN       SER  52  -9.119 -13.423   0.897
  195    HA   SER  52           HA       SER  52 -10.311 -13.994   3.411
  196   1HB   SER  52          HB2       SER  52  -7.999 -15.421   2.094
  197   2HB   SER  52          HB3       SER  52  -9.122 -16.075   3.289
  198    HG   SER  52           HG       SER  52  -9.508 -15.557   0.557
  199    H    LEU  53           HN       LEU  53  -7.396 -12.349   2.493
  200    HA   LEU  53           HA       LEU  53  -6.468 -12.626   5.265
  201   1HB   LEU  53          HB2       LEU  53  -4.121 -12.419   4.357
  202   2HB   LEU  53          HB3       LEU  53  -4.953 -13.937   4.107
  203    HG   LEU  53           HG       LEU  53  -5.435 -13.217   1.756
  204   1HD1  LEU  53          HD11      LEU  53  -5.279 -10.822   2.000
  205   2HD1  LEU  53          HD12      LEU  53  -3.576 -10.951   2.450
  206   3HD1  LEU  53          HD13      LEU  53  -4.094 -11.388   0.820
  207   1HD2  LEU  53          HD21      LEU  53  -2.541 -13.326   2.566
  208   2HD2  LEU  53          HD22      LEU  53  -3.604 -14.708   2.300
  209   3HD2  LEU  53          HD23      LEU  53  -3.186 -13.646   0.956
  210    H    GLU  54           HN       GLU  54  -7.760 -10.478   3.303
  211    HA   GLU  54           HA       GLU  54  -7.930  -8.246   3.191
  212   1HB   GLU  54          HB2       GLU  54  -7.857  -7.035   5.301
  213   2HB   GLU  54          HB3       GLU  54  -8.674  -8.577   5.488
  214   1HG   GLU  54          HG2       GLU  54  -6.979  -9.470   6.772
  215   2HG   GLU  54          HG3       GLU  54  -5.774  -8.344   6.154
  216    H    ALA  55           HN       ALA  55  -5.647  -8.835   1.895
  217    HA   ALA  55           HA       ALA  55  -4.121  -6.463   2.357
  218   1HB   ALA  55          HB1       ALA  55  -1.970  -7.512   2.779
  219   2HB   ALA  55          HB2       ALA  55  -3.131  -7.898   4.049
  220   3HB   ALA  55          HB3       ALA  55  -2.744  -9.097   2.815
  221    H    ALA  56           HN       ALA  56  -2.295  -6.221   0.809
  222    HA   ALA  56           HA       ALA  56  -2.877  -7.601  -1.733
  223   1HB   ALA  56          HB1       ALA  56  -2.759  -5.468  -2.901
  224   2HB   ALA  56          HB2       ALA  56  -4.040  -5.448  -1.690
  225   3HB   ALA  56          HB3       ALA  56  -2.513  -4.632  -1.368
  226    H    PHE  57           HN       PHE  57  -1.158  -8.131  -2.932
  227    HA   PHE  57           HA       PHE  57   1.506  -7.315  -2.078
  228   1HB   PHE  57          HB2       PHE  57   0.511  -9.257  -4.164
  229   2HB   PHE  57          HB3       PHE  57   2.205  -8.806  -4.044
  230    HD1  PHE  57           HD1      PHE  57   3.443  -9.329  -1.922
  231    HD2  PHE  57           HD2      PHE  57  -0.422 -10.888  -2.765
  232    HE1  PHE  57           HE1      PHE  57   3.775 -11.063  -0.209
  233    HE2  PHE  57           HE2      PHE  57  -0.097 -12.629  -1.060
  234    HZ   PHE  57           HZ       PHE  57   2.042 -12.775   0.155
  235    H    VAL  58           HN       VAL  58   2.765  -5.901  -3.147
  236    HA   VAL  58           HA       VAL  58   1.622  -4.592  -5.533
  237    HB   VAL  58           HB       VAL  58   3.048  -3.461  -3.164
  238   1HG1  VAL  58          HG11      VAL  58   4.584  -2.910  -5.004
  239   2HG1  VAL  58          HG12      VAL  58   3.243  -2.192  -5.896
  240   3HG1  VAL  58          HG13      VAL  58   3.771  -1.480  -4.372
  241   1HG2  VAL  58          HG21      VAL  58   0.664  -3.140  -3.390
  242   2HG2  VAL  58          HG22      VAL  58   1.490  -1.592  -3.590
  243   3HG2  VAL  58          HG23      VAL  58   0.880  -2.456  -5.001
  244    H    ASP  59           HN       ASP  59   2.831  -4.299  -7.315
  245    HA   ASP  59           HA       ASP  59   5.428  -5.677  -7.405
  246   1HB   ASP  59          HB2       ASP  59   3.637  -6.450  -8.967
  247   2HB   ASP  59          HB3       ASP  59   3.627  -4.845  -9.687
  248    H    TYR  60           HN       TYR  60   6.926  -4.138  -6.854
  249    HA   TYR  60           HA       TYR  60   7.162  -1.940  -8.789
  250   1HB   TYR  60          HB2       TYR  60   8.163  -0.524  -7.031
  251   2HB   TYR  60          HB3       TYR  60   6.524  -0.996  -6.605
  252    HD1  TYR  60           HD1      TYR  60   6.369  -3.160  -5.062
  253    HD2  TYR  60           HD2      TYR  60   9.817  -0.696  -5.446
  254    HE1  TYR  60           HE1      TYR  60   7.201  -3.992  -2.902
  255    HE2  TYR  60           HE2      TYR  60  10.659  -1.526  -3.296
  256    HH   TYR  60           HH       TYR  60   9.437  -4.238  -1.771
  257    H    GLY  61           HN       GLY  61   8.337  -3.780  -9.857
  258   1HA   GLY  61          HA1       GLY  61  10.193  -5.079 -10.305
  259   2HA   GLY  61          HA2       GLY  61  11.067  -3.614  -9.879
  260    H    ALA  62           HN       ALA  62   9.144  -5.854  -7.900
  261    HA   ALA  62           HA       ALA  62  11.311  -5.745  -5.921
  262   1HB   ALA  62          HB1       ALA  62   9.139  -4.909  -5.170
  263   2HB   ALA  62          HB2       ALA  62   8.398  -6.460  -5.563
  264   3HB   ALA  62          HB3       ALA  62   9.601  -6.358  -4.277
  265    H    GLU  63           HN       GLU  63  11.723  -7.655  -4.647
  266    HA   GLU  63           HA       GLU  63  11.776 -10.050  -6.301
  267   1HB   GLU  63          HB2       GLU  63  13.791  -9.306  -5.075
  268   2HB   GLU  63          HB3       GLU  63  12.925  -9.486  -3.556
  269   1HG   GLU  63          HG2       GLU  63  12.667 -11.910  -4.088
  270   2HG   GLU  63          HG3       GLU  63  13.734 -11.655  -5.472
  271    H    ARG  64           HN       ARG  64  10.605  -8.932  -3.178
  272    HA   ARG  64           HA       ARG  64   8.684 -11.165  -3.126
  273   1HB   ARG  64          HB2       ARG  64   9.956  -9.892  -0.695
  274   2HB   ARG  64          HB3       ARG  64   8.987 -11.362  -0.754
  275   1HG   ARG  64          HG2       ARG  64  10.708 -12.551  -1.878
  276   2HG   ARG  64          HG3       ARG  64  11.635 -11.078  -2.144
  277   1HD   ARG  64          HD2       ARG  64  11.664 -10.913   0.432
  278   2HD   ARG  64          HD3       ARG  64  11.221 -12.620   0.381
  279    HE   ARG  64           HE       ARG  64  13.498 -11.947  -1.261
  280   1HH1  ARG  64          HH1       ARG  64  12.399 -13.094   1.855
  281   2HH1  ARG  64          HH1       ARG  64  13.991 -13.563   2.379
  282   1HH2  ARG  64          HH2       ARG  64  15.565 -12.594  -0.605
  283   2HH2  ARG  64          HH2       ARG  64  15.792 -13.303   0.968
  284    H    HIS  65           HN       HIS  65   6.979 -10.083  -3.880
  285    HA   HIS  65           HA       HIS  65   6.444  -7.479  -4.065
  286   1HB   HIS  65          HB2       HIS  65   4.602  -9.805  -3.748
  287   2HB   HIS  65          HB3       HIS  65   3.929  -8.179  -3.791
  288    HD1  HIS  65           HD1      HIS  65   2.804  -9.100  -6.046
  289    HD2  HIS  65           HD2      HIS  65   6.912  -8.486  -6.157
  290    HE1  HIS  65           HE1      HIS  65   3.395  -8.943  -8.465
  291    HE2  HIS  65           HE2      HIS  65   5.898  -8.691  -8.531
  292    H    GLY  66           HN       GLY  66   5.896  -5.783  -2.945
  293   1HA   GLY  66          HA1       GLY  66   5.940  -5.741  -0.130
  294   2HA   GLY  66          HA2       GLY  66   5.414  -4.422  -1.167
  295    H    PHE  67           HN       PHE  67   4.441  -6.318   1.264
  296    HA   PHE  67           HA       PHE  67   1.736  -6.774   0.216
  297   1HB   PHE  67          HB2       PHE  67   3.226  -8.643   1.128
  298   2HB   PHE  67          HB3       PHE  67   2.930  -7.944   2.708
  299    HD1  PHE  67           HD1      PHE  67   0.633  -8.455  -0.174
  300    HD2  PHE  67           HD2      PHE  67   1.609  -9.458   3.840
  301    HE1  PHE  67           HE1      PHE  67  -1.462  -9.732   0.014
  302    HE2  PHE  67           HE2      PHE  67  -0.477 -10.740   4.036
  303    HZ   PHE  67           HZ       PHE  67  -1.976 -10.963   2.046
  304    H    LEU  68           HN       LEU  68   0.714  -4.873   0.570
  305    HA   LEU  68           HA       LEU  68   0.793  -3.524   3.131
  306   1HB   LEU  68          HB2       LEU  68   0.215  -2.795   0.495
  307   2HB   LEU  68          HB3       LEU  68  -1.318  -2.688   1.329
  308    HG   LEU  68           HG       LEU  68   1.198  -1.238   2.117
  309   1HD1  LEU  68          HD11      LEU  68   0.237  -0.365   0.073
  310   2HD1  LEU  68          HD12      LEU  68  -1.352  -0.275   0.835
  311   3HD1  LEU  68          HD13      LEU  68  -0.039   0.754   1.408
  312   1HD2  LEU  68          HD21      LEU  68  -0.260  -0.054   3.684
  313   2HD2  LEU  68          HD22      LEU  68  -1.590  -1.128   3.249
  314   3HD2  LEU  68          HD23      LEU  68  -0.158  -1.775   4.051
  315    HA   PRO  69           HA       PRO  69  -2.798  -5.826   4.707
  316   1HB   PRO  69          HB2       PRO  69  -2.456  -3.976   6.971
  317   2HB   PRO  69          HB3       PRO  69  -2.431  -5.741   6.955
  318   1HG   PRO  69          HG2       PRO  69  -0.188  -4.325   7.346
  319   2HG   PRO  69          HG3       PRO  69  -0.176  -5.834   6.412
  320   1HD   PRO  69          HD2       PRO  69  -0.191  -3.000   5.424
  321   2HD   PRO  69          HD3       PRO  69   0.787  -4.378   4.870
  322    H    LEU  70           HN       LEU  70  -4.923  -5.348   4.748
  323    HA   LEU  70           HA       LEU  70  -5.885  -3.033   3.509
  324   1HB   LEU  70          HB2       LEU  70  -7.225  -4.900   3.276
  325   2HB   LEU  70          HB3       LEU  70  -7.132  -5.315   4.972
  326    HG   LEU  70           HG       LEU  70  -8.613  -3.384   5.485
  327   1HD1  LEU  70          HD11      LEU  70  -9.836  -2.324   3.662
  328   2HD1  LEU  70          HD12      LEU  70  -8.105  -2.011   3.547
  329   3HD1  LEU  70          HD13      LEU  70  -8.856  -3.205   2.488
  330   1HD2  LEU  70          HD21      LEU  70  -9.704  -5.391   3.521
  331   2HD2  LEU  70          HD22      LEU  70  -9.511  -5.633   5.257
  332   3HD2  LEU  70          HD23      LEU  70 -10.655  -4.432   4.657
  333    H    LYS  71           HN       LYS  71  -5.723  -3.883   6.937
  334    HA   LYS  71           HA       LYS  71  -7.300  -1.745   7.860
  335   1HB   LYS  71          HB2       LYS  71  -5.888  -2.153  10.026
  336   2HB   LYS  71          HB3       LYS  71  -7.021  -3.374   9.469
  337   1HG   LYS  71          HG2       LYS  71  -5.247  -4.680   8.537
  338   2HG   LYS  71          HG3       LYS  71  -4.073  -3.405   8.869
  339   1HD   LYS  71          HD2       LYS  71  -4.220  -3.740  11.203
  340   2HD   LYS  71          HD3       LYS  71  -5.681  -4.715  11.046
  341   1HE   LYS  71          HE2       LYS  71  -3.003  -5.524   9.930
  342   2HE   LYS  71          HE3       LYS  71  -3.588  -6.011  11.521
  343   1HZ   LYS  71          HZ1       LYS  71  -4.014  -7.696   9.808
  344   2HZ   LYS  71          HZ2       LYS  71  -4.980  -6.588   8.954
  345   3HZ   LYS  71          HZ3       LYS  71  -5.450  -7.112  10.494
  346    H    GLU  72           HN       GLU  72  -4.212  -1.723   6.484
  347    HA   GLU  72           HA       GLU  72  -3.422   0.757   7.816
  348   1HB   GLU  72          HB2       GLU  72  -1.913  -0.694   5.644
  349   2HB   GLU  72          HB3       GLU  72  -1.286   0.468   6.808
  350   1HG   GLU  72          HG2       GLU  72  -2.275  -2.298   7.448
  351   2HG   GLU  72          HG3       GLU  72  -0.588  -1.815   7.303
  352    H    ILE  73           HN       ILE  73  -5.179  -0.250   5.155
  353    HA   ILE  73           HA       ILE  73  -4.201   1.275   3.034
  354    HB   ILE  73           HB       ILE  73  -6.818  -0.038   3.605
  355   1HG1  ILE  73          HG12      ILE  73  -4.697  -0.338   1.469
  356   2HG1  ILE  73          HG13      ILE  73  -5.007  -1.426   2.819
  357   1HG2  ILE  73          HG21      ILE  73  -7.598   0.617   1.315
  358   2HG2  ILE  73          HG22      ILE  73  -7.606   1.915   2.508
  359   3HG2  ILE  73          HG23      ILE  73  -6.324   1.835   1.304
  360   1HD1  ILE  73          HD11      ILE  73  -5.852  -2.313   0.719
  361   2HD1  ILE  73          HD12      ILE  73  -7.161  -2.011   1.860
  362   3HD1  ILE  73          HD13      ILE  73  -6.879  -0.892   0.528
  363    H    ALA  74           HN       ALA  74  -4.543   3.228   2.251
  364    HA   ALA  74           HA       ALA  74  -5.971   5.165   3.925
  365   1HB   ALA  74          HB1       ALA  74  -3.932   5.607   1.736
  366   2HB   ALA  74          HB2       ALA  74  -4.640   6.856   2.760
  367   3HB   ALA  74          HB3       ALA  74  -3.600   5.620   3.469
  368    H    ARG  75           HN       ARG  75  -7.350   6.693   2.976
  369    HA   ARG  75           HA       ARG  75  -9.216   5.814   1.137
  370   1HB   ARG  75          HB2       ARG  75  -9.483   7.665   2.802
  371   2HB   ARG  75          HB3       ARG  75  -8.578   8.707   1.713
  372   1HG   ARG  75          HG2       ARG  75 -10.312   8.265  -0.025
  373   2HG   ARG  75          HG3       ARG  75 -11.242   7.403   1.201
  374   1HD   ARG  75          HD2       ARG  75 -10.371  10.280   1.414
  375   2HD   ARG  75          HD3       ARG  75 -11.957   9.748   0.860
  376    HE   ARG  75           HE       ARG  75 -12.278   8.791   3.101
  377   1HH1  ARG  75          HH1       ARG  75  -9.765  11.206   2.721
  378   2HH1  ARG  75          HH1       ARG  75  -9.897  11.787   4.353
  379   1HH2  ARG  75          HH2       ARG  75 -12.469   9.558   5.236
  380   2HH2  ARG  75          HH2       ARG  75 -11.405  10.820   5.798
  381    H    GLU  76           HN       GLU  76  -6.082   7.071   0.404
  382    HA   GLU  76           HA       GLU  76  -6.575   8.153  -2.150
  383   1HB   GLU  76          HB2       GLU  76  -4.379   8.093  -0.766
  384   2HB   GLU  76          HB3       GLU  76  -4.114   6.537  -1.546
  385   1HG   GLU  76          HG2       GLU  76  -2.955   8.139  -2.837
  386   2HG   GLU  76          HG3       GLU  76  -4.406   7.715  -3.745
  387    H    TYR  77           HN       TYR  77  -6.802   4.964  -1.005
  388    HA   TYR  77           HA       TYR  77  -6.347   3.720  -3.614
  389   1HB   TYR  77          HB2       TYR  77  -7.028   2.413  -0.971
  390   2HB   TYR  77          HB3       TYR  77  -6.461   1.605  -2.425
  391    HD1  TYR  77           HD1      TYR  77  -4.481   4.199  -2.748
  392    HD2  TYR  77           HD2      TYR  77  -5.111   1.153   0.146
  393    HE1  TYR  77           HE1      TYR  77  -2.151   4.430  -2.008
  394    HE2  TYR  77           HE2      TYR  77  -2.782   1.372   0.894
  395    HH   TYR  77           HH       TYR  77  -0.643   2.179   0.069
  396    H    PHE  78           HN       PHE  78  -8.873   3.963  -1.131
  397    HA   PHE  78           HA       PHE  78 -10.874   3.424  -3.196
  398   1HB   PHE  78          HB2       PHE  78 -12.520   3.508  -1.282
  399   2HB   PHE  78          HB3       PHE  78 -11.378   2.173  -1.213
  400    HD1  PHE  78           HD1      PHE  78  -9.280   2.579   0.307
  401    HD2  PHE  78           HD2      PHE  78 -12.900   4.795   0.565
  402    HE1  PHE  78           HE1      PHE  78  -8.733   3.196   2.622
  403    HE2  PHE  78           HE2      PHE  78 -12.355   5.424   2.877
  404    HZ   PHE  78           HZ       PHE  78 -10.269   4.621   3.909
  405    HA   PRO  79           HA       PRO  79  -9.921   7.616  -4.065
  406   1HB   PRO  79          HB2       PRO  79 -12.400   8.099  -5.358
  407   2HB   PRO  79          HB3       PRO  79 -10.865   7.658  -6.108
  408   1HG   PRO  79          HG2       PRO  79 -13.151   5.940  -5.307
  409   2HG   PRO  79          HG3       PRO  79 -12.058   5.773  -6.696
  410   1HD   PRO  79          HD2       PRO  79 -11.795   4.157  -4.612
  411   2HD   PRO  79          HD3       PRO  79 -10.340   4.861  -5.360
  412    H    ALA  80           HN       ALA  80 -10.194   9.523  -3.180
  413    HA   ALA  80           HA       ALA  80 -11.541   9.831  -0.785
  414   1HB   ALA  80          HB1       ALA  80 -10.625  11.998  -2.652
  415   2HB   ALA  80          HB2       ALA  80 -10.932  12.163  -0.921
  416   3HB   ALA  80          HB3       ALA  80  -9.613  11.138  -1.491
  417    H    ASN  81           HN       ASN  81 -12.915   9.981  -3.883
  418    HA   ASN  81           HA       ASN  81 -15.086  11.764  -3.211
  419   1HB   ASN  81          HB2       ASN  81 -14.274  11.601  -5.528
  420   2HB   ASN  81          HB3       ASN  81 -14.686   9.892  -5.563
  421   1HD2  ASN  81          HD21      ASN  81 -16.840   9.278  -5.769
  422   2HD2  ASN  81          HD22      ASN  81 -18.074  10.397  -6.227
  423    H    TYR  82           HN       TYR  82 -14.315   8.460  -2.848
  424    HA   TYR  82           HA       TYR  82 -17.008   7.456  -2.841
  425   1HB   TYR  82          HB2       TYR  82 -15.103   6.047  -3.530
  426   2HB   TYR  82          HB3       TYR  82 -14.430   6.163  -1.905
  427    HD1  TYR  82           HD1      TYR  82 -17.621   5.188  -3.591
  428    HD2  TYR  82           HD2      TYR  82 -14.850   4.409  -0.454
  429    HE1  TYR  82           HE1      TYR  82 -18.940   3.229  -2.920
  430    HE2  TYR  82           HE2      TYR  82 -16.166   2.445   0.224
  431    HH   TYR  82           HH       TYR  82 -18.433   1.594   0.034
  432    H    SER  83           HN       SER  83 -18.190   6.776  -1.079
  433    HA   SER  83           HA       SER  83 -17.753   8.273   1.339
  434   1HB   SER  83          HB2       SER  83 -19.956   6.950   1.915
  435   2HB   SER  83          HB3       SER  83 -19.985   8.273   0.744
  436    HG   SER  83           HG       SER  83 -20.795   5.851   0.314
  437    H    ALA  84           HN       ALA  84 -16.253   7.500   2.684
  438    HA   ALA  84           HA       ALA  84 -16.057   4.634   3.232
  439   1HB   ALA  84          HB1       ALA  84 -13.995   5.933   2.934
  440   2HB   ALA  84          HB2       ALA  84 -14.443   6.954   4.299
  441   3HB   ALA  84          HB3       ALA  84 -14.096   5.244   4.555
  442    H    HIS  85           HN       HIS  85 -16.741   3.697   5.110
  443    HA   HIS  85           HA       HIS  85 -18.362   5.375   6.888
  444   1HB   HIS  85          HB2       HIS  85 -19.289   3.255   5.836
  445   2HB   HIS  85          HB3       HIS  85 -18.185   2.356   6.872
  446    HD1  HIS  85           HD1      HIS  85 -21.459   3.975   6.814
  447    HD2  HIS  85           HD2      HIS  85 -18.779   2.650   9.704
  448    HE1  HIS  85           HE1      HIS  85 -22.766   3.881   8.959
  449    HE2  HIS  85           HE2      HIS  85 -21.064   3.319  10.729
  450    H    GLY  86           HN       GLY  86 -15.716   3.060   6.921
  451   1HA   GLY  86          HA1       GLY  86 -14.507   4.324   9.189
  452   2HA   GLY  86          HA2       GLY  86 -15.207   2.762   9.597
  453    H    ARG  87           HN       ARG  87 -14.361   0.879   8.685
  454    HA   ARG  87           HA       ARG  87 -11.631   1.184   7.668
  455   1HB   ARG  87          HB2       ARG  87 -13.126  -1.125   8.885
  456   2HB   ARG  87          HB3       ARG  87 -11.596  -1.355   8.050
  457   1HG   ARG  87          HG2       ARG  87 -10.541   0.236   9.618
  458   2HG   ARG  87          HG3       ARG  87 -12.076   0.353  10.482
  459   1HD   ARG  87          HD2       ARG  87 -10.676  -2.263  10.016
  460   2HD   ARG  87          HD3       ARG  87 -10.344  -1.255  11.423
  461    HE   ARG  87           HE       ARG  87 -12.510  -1.703  12.235
  462   1HH1  ARG  87          HH1       ARG  87 -11.896  -3.337   9.190
  463   2HH1  ARG  87          HH1       ARG  87 -13.190  -4.474   9.401
  464   1HH2  ARG  87          HH2       ARG  87 -14.175  -3.205  12.534
  465   2HH2  ARG  87          HH2       ARG  87 -14.495  -4.409  11.313
  466    HA   PRO  88           HA       PRO  88 -12.950   0.385   3.495
  467   1HB   PRO  88          HB2       PRO  88 -10.410  -0.318   2.626
  468   2HB   PRO  88          HB3       PRO  88 -11.040   1.331   2.689
  469   1HG   PRO  88          HG2       PRO  88  -9.235  -0.098   4.575
  470   2HG   PRO  88          HG3       PRO  88  -9.239   1.612   4.095
  471   1HD   PRO  88          HD2       PRO  88 -10.194   0.767   6.475
  472   2HD   PRO  88          HD3       PRO  88 -10.875   2.162   5.616
  473    H    ASN  89           HN       ASN  89 -12.895  -1.370   1.951
  474    HA   ASN  89           HA       ASN  89 -12.213  -4.001   3.087
  475   1HB   ASN  89          HB2       ASN  89 -14.069  -4.820   1.457
  476   2HB   ASN  89          HB3       ASN  89 -14.533  -4.101   2.993
  477   1HD2  ASN  89          HD21      ASN  89 -14.540  -3.733  -0.455
  478   2HD2  ASN  89          HD22      ASN  89 -15.589  -2.357  -0.503
  479    H    ILE  90           HN       ILE  90 -10.347  -4.519   2.168
  480    HA   ILE  90           HA       ILE  90  -9.243  -3.147   0.031
  481    HB   ILE  90           HB       ILE  90  -7.919  -4.312   1.737
  482   1HG1  ILE  90          HG12      ILE  90  -7.190  -5.276  -1.027
  483   2HG1  ILE  90          HG13      ILE  90  -6.995  -3.608  -0.496
  484   1HG2  ILE  90          HG21      ILE  90  -8.672  -6.830   0.257
  485   2HG2  ILE  90          HG22      ILE  90  -7.420  -6.714   1.494
  486   3HG2  ILE  90          HG23      ILE  90  -9.108  -6.413   1.915
  487   1HD1  ILE  90          HD11      ILE  90  -4.903  -4.721  -0.302
  488   2HD1  ILE  90          HD12      ILE  90  -5.520  -4.428   1.321
  489   3HD1  ILE  90          HD13      ILE  90  -5.628  -6.041   0.616
  490    H    LYS  91           HN       LYS  91 -10.801  -6.309  -0.014
  491    HA   LYS  91           HA       LYS  91 -10.143  -7.109  -2.567
  492   1HB   LYS  91          HB2       LYS  91 -12.376  -8.354  -2.466
  493   2HB   LYS  91          HB3       LYS  91 -11.175  -8.705  -1.234
  494   1HG   LYS  91          HG2       LYS  91 -12.391  -7.043   0.238
  495   2HG   LYS  91          HG3       LYS  91 -13.678  -7.071  -0.971
  496   1HD   LYS  91          HD2       LYS  91 -13.920  -9.479  -0.678
  497   2HD   LYS  91          HD3       LYS  91 -12.595  -9.480   0.493
  498   1HE   LYS  91          HE2       LYS  91 -13.892  -8.072   1.986
  499   2HE   LYS  91          HE3       LYS  91 -15.199  -7.980   0.805
  500   1HZ   LYS  91          HZ1       LYS  91 -14.253 -10.488   2.098
  501   2HZ   LYS  91          HZ2       LYS  91 -15.568 -10.338   1.039
  502   3HZ   LYS  91          HZ3       LYS  91 -15.624  -9.610   2.567
  503    H    ASP  92           HN       ASP  92 -12.333  -4.542  -1.695
  504    HA   ASP  92           HA       ASP  92 -12.946  -4.242  -4.562
  505   1HB   ASP  92          HB2       ASP  92 -14.960  -4.936  -3.230
  506   2HB   ASP  92          HB3       ASP  92 -14.807  -3.440  -2.316
  507    H    VAL  93           HN       VAL  93 -10.898  -3.155  -2.611
  508    HA   VAL  93           HA       VAL  93 -11.403  -0.284  -3.065
  509    HB   VAL  93           HB       VAL  93  -9.759  -1.679  -0.947
  510   1HG1  VAL  93          HG11      VAL  93  -8.386   0.123  -1.834
  511   2HG1  VAL  93          HG12      VAL  93  -9.725   1.256  -1.647
  512   3HG1  VAL  93          HG13      VAL  93  -8.976   0.532  -0.223
  513   1HG2  VAL  93          HG21      VAL  93 -11.123  -0.332   0.579
  514   2HG2  VAL  93          HG22      VAL  93 -11.968   0.372  -0.800
  515   3HG2  VAL  93          HG23      VAL  93 -12.124  -1.352  -0.457
  516    H    LEU  94           HN       LEU  94  -8.892  -2.763  -2.992
  517    HA   LEU  94           HA       LEU  94  -7.346  -1.180  -4.907
  518   1HB   LEU  94          HB2       LEU  94  -6.577  -3.450  -3.085
  519   2HB   LEU  94          HB3       LEU  94  -5.529  -2.854  -4.356
  520    HG   LEU  94           HG       LEU  94  -6.531  -1.198  -2.039
  521   1HD1  LEU  94          HD11      LEU  94  -3.856  -2.500  -2.536
  522   2HD1  LEU  94          HD12      LEU  94  -4.203  -1.346  -1.247
  523   3HD1  LEU  94          HD13      LEU  94  -5.008  -2.914  -1.269
  524   1HD2  LEU  94          HD21      LEU  94  -4.854   0.413  -2.807
  525   2HD2  LEU  94          HD22      LEU  94  -4.488  -0.626  -4.184
  526   3HD2  LEU  94          HD23      LEU  94  -6.080   0.116  -4.040
  527    H    ARG  95           HN       ARG  95  -6.592  -2.108  -6.774
  528    HA   ARG  95           HA       ARG  95  -7.346  -4.812  -7.481
  529   1HB   ARG  95          HB2       ARG  95  -8.163  -3.929  -9.759
  530   2HB   ARG  95          HB3       ARG  95  -9.259  -3.815  -8.393
  531   1HG   ARG  95          HG2       ARG  95  -7.536  -1.470  -8.995
  532   2HG   ARG  95          HG3       ARG  95  -8.898  -1.806 -10.066
  533   1HD   ARG  95          HD2       ARG  95  -9.005  -1.369  -7.078
  534   2HD   ARG  95          HD3       ARG  95  -9.592  -0.270  -8.327
  535    HE   ARG  95           HE       ARG  95 -10.912  -2.653  -8.757
  536   1HH1  ARG  95          HH1       ARG  95 -10.705  -0.329  -6.134
  537   2HH1  ARG  95          HH1       ARG  95 -12.276  -0.720  -5.510
  538   1HH2  ARG  95          HH2       ARG  95 -12.954  -3.156  -7.946
  539   2HH2  ARG  95          HH2       ARG  95 -13.563  -2.340  -6.533
  540    H    GLU  96           HN       GLU  96  -6.064  -5.676  -9.152
  541    HA   GLU  96           HA       GLU  96  -3.410  -4.805  -9.096
  542   1HB   GLU  96          HB2       GLU  96  -4.485  -6.474 -11.362
  543   2HB   GLU  96          HB3       GLU  96  -2.884  -6.518 -10.624
  544   1HG   GLU  96          HG2       GLU  96  -3.817  -8.421  -9.775
  545   2HG   GLU  96          HG3       GLU  96  -4.201  -7.267  -8.500
  546    H    GLY  97           HN       GLY  97  -2.374  -3.270 -10.118
  547   1HA   GLY  97          HA1       GLY  97  -1.882  -2.082 -12.178
  548   2HA   GLY  97          HA2       GLY  97  -3.601  -2.133 -12.547
  549    H    GLN  98           HN       GLN  98  -4.042  -1.557  -9.555
  550    HA   GLN  98           HA       GLN  98  -4.029   1.324  -9.823
  551   1HB   GLN  98          HB2       GLN  98  -5.847  -0.170  -8.673
  552   2HB   GLN  98          HB3       GLN  98  -4.765  -0.102  -7.289
  553   1HG   GLN  98          HG2       GLN  98  -4.892   2.283  -7.206
  554   2HG   GLN  98          HG3       GLN  98  -5.821   2.332  -8.705
  555   1HE2  GLN  98          HE21      GLN  98  -6.299   0.034  -6.096
  556   2HE2  GLN  98          HE22      GLN  98  -7.858   0.613  -5.616
  557    H    GLU  99           HN       GLU  99  -2.436   2.572  -9.199
  558    HA   GLU  99           HA       GLU  99  -0.124   1.501  -7.903
  559   1HB   GLU  99          HB2       GLU  99   0.732   3.825  -8.056
  560   2HB   GLU  99          HB3       GLU  99   0.162   3.195  -9.606
  561   1HG   GLU  99          HG2       GLU  99  -1.886   4.424  -9.406
  562   2HG   GLU  99          HG3       GLU  99  -1.452   4.937  -7.763
  563    H    VAL 100           HN       VAL 100   0.782   2.172  -5.982
  564    HA   VAL 100           HA       VAL 100  -0.873   3.832  -4.217
  565    HB   VAL 100           HB       VAL 100  -0.150   2.517  -2.287
  566   1HG1  VAL 100          HG11      VAL 100  -1.496   0.481  -2.718
  567   2HG1  VAL 100          HG12      VAL 100  -2.283   1.976  -3.235
  568   3HG1  VAL 100          HG13      VAL 100  -1.533   0.915  -4.429
  569   1HG2  VAL 100          HG21      VAL 100   1.963   1.665  -3.220
  570   2HG2  VAL 100          HG22      VAL 100   0.970   0.370  -2.543
  571   3HG2  VAL 100          HG23      VAL 100   1.044   0.602  -4.291
  572    H    ILE 101           HN       ILE 101   0.313   5.199  -2.840
  573    HA   ILE 101           HA       ILE 101   3.136   5.534  -3.588
  574    HB   ILE 101           HB       ILE 101   1.867   7.394  -1.641
  575   1HG1  ILE 101          HG12      ILE 101   0.031   7.140  -3.256
  576   2HG1  ILE 101          HG13      ILE 101   0.762   8.734  -3.379
  577   1HG2  ILE 101          HG21      ILE 101   3.619   7.807  -4.052
  578   2HG2  ILE 101          HG22      ILE 101   3.147   9.053  -2.898
  579   3HG2  ILE 101          HG23      ILE 101   4.151   7.702  -2.375
  580   1HD1  ILE 101          HD11      ILE 101   0.230   7.818  -5.556
  581   2HD1  ILE 101          HD12      ILE 101   1.972   8.025  -5.365
  582   3HD1  ILE 101          HD13      ILE 101   1.256   6.419  -5.229
  583    H    VAL 102           HN       VAL 102   4.443   4.287  -2.304
  584    HA   VAL 102           HA       VAL 102   3.914   4.243   0.565
  585    HB   VAL 102           HB       VAL 102   4.244   1.721   0.569
  586   1HG1  VAL 102          HG11      VAL 102   2.141   2.721   1.155
  587   2HG1  VAL 102          HG12      VAL 102   1.720   2.929  -0.550
  588   3HG1  VAL 102          HG13      VAL 102   1.839   1.309   0.136
  589   1HG2  VAL 102          HG21      VAL 102   5.001   1.399  -1.687
  590   2HG2  VAL 102          HG22      VAL 102   3.457   0.572  -1.491
  591   3HG2  VAL 102          HG23      VAL 102   3.529   2.121  -2.331
  592    H    GLN 103           HN       GLN 103   5.648   4.202   1.760
  593    HA   GLN 103           HA       GLN 103   8.232   3.678   0.496
  594   1HB   GLN 103          HB2       GLN 103   9.165   4.676   2.610
  595   2HB   GLN 103          HB3       GLN 103   8.159   5.782   1.677
  596   1HG   GLN 103          HG2       GLN 103   6.346   5.543   3.187
  597   2HG   GLN 103          HG3       GLN 103   7.110   4.182   4.001
  598   1HE2  GLN 103          HE21      GLN 103   6.119   6.747   5.043
  599   2HE2  GLN 103          HE22      GLN 103   7.458   7.457   5.868
  600    H    ILE 104           HN       ILE 104   9.460   1.936   1.089
  601    HA   ILE 104           HA       ILE 104   8.126  -0.127   2.612
  602    HB   ILE 104           HB       ILE 104  10.900  -0.206   1.400
  603   1HG1  ILE 104          HG12      ILE 104   9.244   0.302  -0.316
  604   2HG1  ILE 104          HG13      ILE 104   9.808  -1.356  -0.498
  605   1HG2  ILE 104          HG21      ILE 104   9.018  -2.407   2.266
  606   2HG2  ILE 104          HG22      ILE 104  10.552  -2.655   1.433
  607   3HG2  ILE 104          HG23      ILE 104  10.532  -1.957   3.054
  608   1HD1  ILE 104          HD11      ILE 104   7.412  -1.204  -0.830
  609   2HD1  ILE 104          HD12      ILE 104   7.780  -2.163   0.602
  610   3HD1  ILE 104          HD13      ILE 104   7.217  -0.500   0.775
  611    H    ASP 105           HN       ASP 105   8.047   0.345   4.694
  612    HA   ASP 105           HA       ASP 105  10.095   1.582   6.197
  613   1HB   ASP 105          HB2       ASP 105   7.900   1.753   7.053
  614   2HB   ASP 105          HB3       ASP 105   7.617   0.024   6.917
  615    H    LYS 106           HN       LYS 106   9.477  -1.669   5.266
  616    HA   LYS 106           HA       LYS 106  11.540  -2.596   7.119
  617   1HB   LYS 106          HB2       LYS 106   9.145  -4.038   6.004
  618   2HB   LYS 106          HB3       LYS 106  10.461  -4.859   6.848
  619   1HG   LYS 106          HG2       LYS 106  10.027  -3.639   8.851
  620   2HG   LYS 106          HG3       LYS 106   8.877  -2.589   8.027
  621   1HD   LYS 106          HD2       LYS 106   7.399  -4.508   7.663
  622   2HD   LYS 106          HD3       LYS 106   8.551  -5.548   8.509
  623   1HE   LYS 106          HE2       LYS 106   6.709  -4.839   9.971
  624   2HE   LYS 106          HE3       LYS 106   8.271  -4.251  10.540
  625   1HZ   LYS 106          HZ1       LYS 106   7.764  -2.090   9.516
  626   2HZ   LYS 106          HZ2       LYS 106   6.616  -2.518  10.691
  627   3HZ   LYS 106          HZ3       LYS 106   6.239  -2.675   9.047
  628    H    GLU 107           HN       GLU 107  12.117  -5.033   6.071
  629    HA   GLU 107           HA       GLU 107  13.147  -4.407   3.389
  630   1HB   GLU 107          HB2       GLU 107  14.629  -5.647   5.712
  631   2HB   GLU 107          HB3       GLU 107  15.242  -5.528   4.076
  632   1HG   GLU 107          HG2       GLU 107  14.394  -3.103   5.605
  633   2HG   GLU 107          HG3       GLU 107  16.014  -3.783   5.774
  634    H    GLU 108           HN       GLU 108  13.291  -6.150   1.977
  635    HA   GLU 108           HA       GLU 108  11.617  -8.372   2.458
  636   1HB   GLU 108          HB2       GLU 108  13.800  -8.187   0.373
  637   2HB   GLU 108          HB3       GLU 108  12.399  -9.247   0.361
  638   1HG   GLU 108          HG2       GLU 108  10.918  -7.380   0.132
  639   2HG   GLU 108          HG3       GLU 108  12.279  -6.259   0.217
  640    H    ARG 109           HN       ARG 109  12.046  -9.744   4.010
  641    HA   ARG 109           HA       ARG 109  14.829 -10.554   4.493
  642   1HB   ARG 109          HB2       ARG 109  13.859 -10.908   6.896
  643   2HB   ARG 109          HB3       ARG 109  14.295  -9.294   6.357
  644   1HG   ARG 109          HG2       ARG 109  11.899  -8.971   5.710
  645   2HG   ARG 109          HG3       ARG 109  11.544 -10.498   6.515
  646   1HD   ARG 109          HD2       ARG 109  12.858  -8.138   7.849
  647   2HD   ARG 109          HD3       ARG 109  11.128  -8.474   7.907
  648    HE   ARG 109           HE       ARG 109  12.425 -10.773   8.759
  649   1HH1  ARG 109          HH1       ARG 109  12.183  -7.434   9.799
  650   2HH1  ARG 109          HH1       ARG 109  12.304  -7.828  11.486
  651   1HH2  ARG 109          HH2       ARG 109  12.590 -11.284  10.971
  652   2HH2  ARG 109          HH2       ARG 109  12.516 -10.010  12.158
  653    H    GLY 110           HN       GLY 110  11.535 -11.699   5.299
  654   1HA   GLY 110          HA1       GLY 110  11.854 -14.155   3.940
  655   2HA   GLY 110          HA2       GLY 110  12.209 -14.367   5.647
  656    H    ASN 111           HN       ASN 111  10.467 -13.187   7.077
  657    HA   ASN 111           HA       ASN 111   8.152 -14.740   6.752
  658   1HB   ASN 111          HB2       ASN 111   8.669 -12.369   8.548
  659   2HB   ASN 111          HB3       ASN 111   7.241 -13.396   8.658
  660   1HD2  ASN 111          HD21      ASN 111   9.300 -12.927  10.641
  661   2HD2  ASN 111          HD22      ASN 111  10.003 -14.472  10.992
  662    H    LYS 112           HN       LYS 112   8.641 -11.252   6.195
  663    HA   LYS 112           HA       LYS 112   5.996 -11.245   4.921
  664   1HB   LYS 112          HB2       LYS 112   6.187  -9.839   6.991
  665   2HB   LYS 112          HB3       LYS 112   7.389  -8.866   6.156
  666   1HG   LYS 112          HG2       LYS 112   5.639  -8.419   4.398
  667   2HG   LYS 112          HG3       LYS 112   4.475  -9.174   5.487
  668   1HD   LYS 112          HD2       LYS 112   6.176  -6.761   6.114
  669   2HD   LYS 112          HD3       LYS 112   4.464  -6.731   5.699
  670   1HE   LYS 112          HE2       LYS 112   5.666  -8.089   8.108
  671   2HE   LYS 112          HE3       LYS 112   4.846  -6.531   8.118
  672   1HZ   LYS 112          HZ1       LYS 112   3.696  -9.214   7.660
  673   2HZ   LYS 112          HZ2       LYS 112   2.881  -7.815   7.159
  674   3HZ   LYS 112          HZ3       LYS 112   3.242  -8.043   8.802
  675    H    GLY 113           HN       GLY 113   9.302 -10.175   4.753
  676   1HA   GLY 113          HA1       GLY 113  10.586  -9.672   2.899
  677   2HA   GLY 113          HA2       GLY 113   9.160  -9.910   1.892
  678    H    ALA 114           HN       ALA 114   8.532  -8.145   0.922
  679    HA   ALA 114           HA       ALA 114   9.517  -5.603   1.860
  680   1HB   ALA 114          HB1       ALA 114   8.627  -4.717  -0.227
  681   2HB   ALA 114          HB2       ALA 114   9.625  -6.145  -0.512
  682   3HB   ALA 114          HB3       ALA 114   7.866  -6.272  -0.571
  683    H    ALA 115           HN       ALA 115   8.343  -4.164   3.002
  684    HA   ALA 115           HA       ALA 115   5.462  -4.697   3.311
  685   1HB   ALA 115          HB1       ALA 115   7.403  -3.641   5.359
  686   2HB   ALA 115          HB2       ALA 115   5.654  -3.755   5.579
  687   3HB   ALA 115          HB3       ALA 115   6.611  -5.220   5.359
  688    H    LEU 116           HN       LEU 116   4.142  -3.110   2.764
  689    HA   LEU 116           HA       LEU 116   5.304  -0.558   1.991
  690   1HB   LEU 116          HB2       LEU 116   2.404  -1.287   1.737
  691   2HB   LEU 116          HB3       LEU 116   3.329  -0.116   0.812
  692    HG   LEU 116           HG       LEU 116   3.674  -3.116   0.603
  693   1HD1  LEU 116          HD11      LEU 116   2.238  -1.188  -1.208
  694   2HD1  LEU 116          HD12      LEU 116   2.519  -2.899  -1.527
  695   3HD1  LEU 116          HD13      LEU 116   1.481  -2.411  -0.188
  696   1HD2  LEU 116          HD21      LEU 116   5.681  -1.995  -0.027
  697   2HD2  LEU 116          HD22      LEU 116   4.853  -2.483  -1.503
  698   3HD2  LEU 116          HD23      LEU 116   4.788  -0.802  -0.970
  699    H    THR 117           HN       THR 117   5.169   1.189   3.189
  700    HA   THR 117           HA       THR 117   3.491   1.257   5.563
  701    HB   THR 117           HB       THR 117   5.834   2.731   4.499
  702    HG1  THR 117           HG1      THR 117   5.267   1.161   6.546
  703   1HG2  THR 117          HG21      THR 117   4.079   4.479   4.842
  704   2HG2  THR 117          HG22      THR 117   5.556   4.674   5.796
  705   3HG2  THR 117          HG23      THR 117   4.094   4.043   6.556
  706    H    THR 118           HN       THR 118   1.774   2.785   5.841
  707    HA   THR 118           HA       THR 118   0.954   4.152   3.366
  708    HB   THR 118           HB       THR 118  -1.342   4.170   4.567
  709    HG1  THR 118           HG1      THR 118  -1.596   2.477   6.042
  710   1HG2  THR 118          HG21      THR 118  -0.917   2.930   2.540
  711   2HG2  THR 118          HG22      THR 118  -1.846   1.927   3.656
  712   3HG2  THR 118          HG23      THR 118  -0.115   1.653   3.452
  713    H    PHE 119           HN       PHE 119   2.406   4.856   6.164
  714    HA   PHE 119           HA       PHE 119   1.005   7.243   6.911
  715   1HB   PHE 119          HB2       PHE 119   3.766   6.249   7.654
  716   2HB   PHE 119          HB3       PHE 119   2.981   7.654   8.368
  717    HD1  PHE 119           HD1      PHE 119   1.029   7.384   9.816
  718    HD2  PHE 119           HD2      PHE 119   3.142   4.026   8.277
  719    HE1  PHE 119           HE1      PHE 119  -0.060   5.939  11.485
  720    HE2  PHE 119           HE2      PHE 119   2.055   2.576   9.936
  721    HZ   PHE 119           HZ       PHE 119   0.453   3.531  11.545
  722    H    ILE 120           HN       ILE 120   1.154   7.600   4.413
  723    HA   ILE 120           HA       ILE 120   3.256   9.612   3.955
  724    HB   ILE 120           HB       ILE 120   2.060   7.820   1.816
  725   1HG1  ILE 120          HG12      ILE 120   4.782   7.277   1.963
  726   2HG1  ILE 120          HG13      ILE 120   4.268   7.350   3.647
  727   1HG2  ILE 120          HG21      ILE 120   3.934   8.653   0.434
  728   2HG2  ILE 120          HG22      ILE 120   2.778   9.906   0.885
  729   3HG2  ILE 120          HG23      ILE 120   4.328   9.794   1.720
  730   1HD1  ILE 120          HD11      ILE 120   2.584   5.677   3.242
  731   2HD1  ILE 120          HD12      ILE 120   2.982   5.660   1.524
  732   3HD1  ILE 120          HD13      ILE 120   4.158   5.086   2.707
  733    H    SER 121           HN       SER 121   2.378  11.108   2.038
  734    HA   SER 121           HA       SER 121  -0.120  12.179   2.838
  735   1HB   SER 121          HB2       SER 121   1.769  13.490   1.821
  736   2HB   SER 121          HB3       SER 121   1.390  12.740   0.272
  737    HG   SER 121           HG       SER 121   0.423  14.853   0.649
  738    H    LEU 122           HN       LEU 122  -1.170  10.000   2.621
  739    HA   LEU 122           HA       LEU 122  -2.362   9.652  -0.047
  740   1HB   LEU 122          HB2       LEU 122  -1.998   7.701   2.236
  741   2HB   LEU 122          HB3       LEU 122  -2.984   7.372   0.827
  742    HG   LEU 122           HG       LEU 122  -0.109   8.071   0.416
  743   1HD1  LEU 122          HD11      LEU 122  -1.123   5.359   1.273
  744   2HD1  LEU 122          HD12      LEU 122   0.512   5.728   0.724
  745   3HD1  LEU 122          HD13      LEU 122  -0.091   6.424   2.228
  746   1HD2  LEU 122          HD21      LEU 122  -0.373   6.535  -1.466
  747   2HD2  LEU 122          HD22      LEU 122  -2.010   6.143  -0.934
  748   3HD2  LEU 122          HD23      LEU 122  -1.631   7.771  -1.495
  749    H    ALA 123           HN       ALA 123  -4.657   8.785   0.169
  750    HA   ALA 123           HA       ALA 123  -6.773   8.780   0.990
  751   1HB   ALA 123          HB1       ALA 123  -7.237   9.129   3.349
  752   2HB   ALA 123          HB2       ALA 123  -5.837   8.071   3.161
  753   3HB   ALA 123          HB3       ALA 123  -5.610   9.765   3.600
  754    H    GLY 124           HN       GLY 124  -5.717  10.865  -0.485
  755   1HA   GLY 124          HA1       GLY 124  -7.211  12.809  -1.003
  756   2HA   GLY 124          HA2       GLY 124  -7.027  13.244   0.693
  757    H    SER 125           HN       SER 125  -4.635  12.064  -1.623
  758    HA   SER 125           HA       SER 125  -2.675  13.939  -0.830
  759   1HB   SER 125          HB2       SER 125  -2.400  11.642  -2.009
  760   2HB   SER 125          HB3       SER 125  -2.684  12.536  -3.500
  761    HG   SER 125           HG       SER 125  -0.582  12.833  -1.628
  Start of MODEL   10
    1   1H    GLY  30           H1       GLY  30   8.889  20.549   8.831
    2   2H    GLY  30           H2       GLY  30   7.462  20.325   9.719
    3   3H    GLY  30           H3       GLY  30   7.396  20.480   8.033
    4   1HA   GLY  30          HA2       GLY  30   8.753  18.263   9.458
    5   2HA   GLY  30          HA1       GLY  30   7.126  18.168   8.800
    6    H    SER  31           HN       SER  31   8.403  16.303   7.740
    7    HA   SER  31           HA       SER  31   9.225  17.307   5.102
    8   1HB   SER  31          HB2       SER  31  11.245  16.600   6.306
    9   2HB   SER  31          HB3       SER  31  10.519  15.023   6.616
   10    HG   SER  31           HG       SER  31  11.611  16.061   4.274
   11    H    HIS  32           HN       HIS  32   9.070  13.953   6.215
   12    HA   HIS  32           HA       HIS  32   7.861  12.156   5.524
   13   1HB   HIS  32          HB2       HIS  32   5.670  14.131   4.852
   14   2HB   HIS  32          HB3       HIS  32   5.482  12.399   5.072
   15    HD1  HIS  32           HD1      HIS  32   4.250  15.001   6.693
   16    HD2  HIS  32           HD2      HIS  32   6.966  12.127   8.006
   17    HE1  HIS  32           HE1      HIS  32   4.085  15.001   9.205
   18    HE2  HIS  32           HE2      HIS  32   5.675  13.212   9.978
   19    H    MET  33           HN       MET  33   9.157  14.231   3.465
   20    HA   MET  33           HA       MET  33   8.261  12.805   1.076
   21   1HB   MET  33          HB2       MET  33   8.189  15.811   1.394
   22   2HB   MET  33          HB3       MET  33   8.090  14.995  -0.160
   23   1HG   MET  33          HG2       MET  33   6.031  13.900   0.531
   24   2HG   MET  33          HG3       MET  33   6.138  14.672   2.111
   25   1HE   MET  33          HE1       MET  33   7.176  17.579   1.349
   26   2HE   MET  33          HE2       MET  33   5.648  18.447   1.202
   27   3HE   MET  33          HE3       MET  33   5.878  17.281   2.504
   28    H    LEU  34           HN       LEU  34   9.589  13.729  -0.880
   29    HA   LEU  34           HA       LEU  34  11.600  13.813  -1.918
   30   1HB   LEU  34          HB2       LEU  34  12.251  15.460   0.515
   31   2HB   LEU  34          HB3       LEU  34  13.394  15.210  -0.786
   32    HG   LEU  34           HG       LEU  34  12.443  17.328  -1.163
   33   1HD1  LEU  34          HD11      LEU  34  12.623  15.906  -3.155
   34   2HD1  LEU  34          HD12      LEU  34  10.937  15.435  -2.951
   35   3HD1  LEU  34          HD13      LEU  34  11.347  17.117  -3.292
   36   1HD2  LEU  34          HD21      LEU  34  10.039  17.759  -1.258
   37   2HD2  LEU  34          HD22      LEU  34   9.722  16.085  -0.801
   38   3HD2  LEU  34          HD23      LEU  34  10.536  17.167   0.328
   39    H    GLU  35           HN       GLU  35  11.049  11.801   0.321
   40    HA   GLU  35           HA       GLU  35  12.051  10.269   1.643
   41   1HB   GLU  35          HB2       GLU  35  13.446   8.713   0.400
   42   2HB   GLU  35          HB3       GLU  35  12.090   9.255  -0.573
   43   1HG   GLU  35          HG2       GLU  35  13.736  10.938  -1.578
   44   2HG   GLU  35          HG3       GLU  35  14.988   9.941  -0.841
   45    H    GLN  36           HN       GLN  36  13.082  12.792   2.258
   46    HA   GLN  36           HA       GLN  36  15.945  12.604   2.529
   47   1HB   GLN  36          HB2       GLN  36  14.027  14.505   3.904
   48   2HB   GLN  36          HB3       GLN  36  15.772  14.674   3.812
   49   1HG   GLN  36          HG2       GLN  36  14.007  14.628   1.387
   50   2HG   GLN  36          HG3       GLN  36  14.412  16.106   2.254
   51   1HE2  GLN  36          HE21      GLN  36  15.424  16.965   0.471
   52   2HE2  GLN  36          HE22      GLN  36  16.988  16.423  -0.059
   53    H    LYS  37           HN       LYS  37  13.440  12.991   5.038
   54    HA   LYS  37           HA       LYS  37  14.918  11.112   6.744
   55   1HB   LYS  37          HB2       LYS  37  14.207  13.437   7.583
   56   2HB   LYS  37          HB3       LYS  37  12.560  12.820   7.556
   57   1HG   LYS  37          HG2       LYS  37  13.177  11.080   9.144
   58   2HG   LYS  37          HG3       LYS  37  14.838  11.670   9.154
   59   1HD   LYS  37          HD2       LYS  37  13.947  13.876   9.948
   60   2HD   LYS  37          HD3       LYS  37  12.373  13.096  10.131
   61   1HE   LYS  37          HE2       LYS  37  13.512  13.112  12.260
   62   2HE   LYS  37          HE3       LYS  37  13.391  11.457  11.664
   63   1HZ   LYS  37          HZ1       LYS  37  15.801  13.191  11.484
   64   2HZ   LYS  37          HZ2       LYS  37  15.689  11.601  10.908
   65   3HZ   LYS  37          HZ3       LYS  37  15.581  11.910  12.569
   66    H    LYS  38           HN       LYS  38  13.633  10.193   4.511
   67    HA   LYS  38           HA       LYS  38  11.254   8.812   5.535
   68   1HB   LYS  38          HB2       LYS  38  10.560  10.655   4.091
   69   2HB   LYS  38          HB3       LYS  38  11.650  10.106   2.829
   70   1HG   LYS  38          HG2       LYS  38  10.338   8.044   2.605
   71   2HG   LYS  38          HG3       LYS  38   9.226   8.645   3.846
   72   1HD   LYS  38          HD2       LYS  38   9.039  10.725   2.297
   73   2HD   LYS  38          HD3       LYS  38   9.674   9.640   1.059
   74   1HE   LYS  38          HE2       LYS  38   7.282   9.601   0.940
   75   2HE   LYS  38          HE3       LYS  38   7.830   8.056   1.593
   76   1HZ   LYS  38          HZ1       LYS  38   5.964   8.859   2.852
   77   2HZ   LYS  38          HZ2       LYS  38   6.735  10.335   3.153
   78   3HZ   LYS  38          HZ3       LYS  38   7.343   8.905   3.831
   79    H    ALA  39           HN       ALA  39  11.228   6.658   5.104
   80    HA   ALA  39           HA       ALA  39  13.381   5.348   3.805
   81   1HB   ALA  39          HB1       ALA  39  11.929   3.351   3.882
   82   2HB   ALA  39          HB2       ALA  39  11.986   4.180   5.438
   83   3HB   ALA  39          HB3       ALA  39  10.582   4.367   4.391
   84    H    ASN  40           HN       ASN  40  13.545   4.642   1.706
   85    HA   ASN  40           HA       ASN  40  12.704   6.348  -0.254
   86   1HB   ASN  40          HB2       ASN  40  13.353   3.434  -0.640
   87   2HB   ASN  40          HB3       ASN  40  13.422   4.678  -1.881
   88   1HD2  ASN  40          HD21      ASN  40  15.004   6.383  -1.621
   89   2HD2  ASN  40          HD22      ASN  40  16.482   6.039  -0.777
   90    H    ILE  41           HN       ILE  41  10.842   6.783  -1.088
   91    HA   ILE  41           HA       ILE  41   8.567   5.086  -0.556
   92    HB   ILE  41           HB       ILE  41   8.510   7.535  -0.167
   93   1HG1  ILE  41          HG12      ILE  41   6.345   7.947  -1.499
   94   2HG1  ILE  41          HG13      ILE  41   6.566   6.306  -2.100
   95   1HG2  ILE  41          HG21      ILE  41   8.696   7.721  -3.165
   96   2HG2  ILE  41          HG22      ILE  41   8.269   9.053  -2.089
   97   3HG2  ILE  41          HG23      ILE  41   9.865   8.313  -1.985
   98   1HD1  ILE  41          HD11      ILE  41   6.322   7.101   0.788
   99   2HD1  ILE  41          HD12      ILE  41   5.057   6.368  -0.200
  100   3HD1  ILE  41          HD13      ILE  41   6.521   5.457   0.176
  101    H    TYR  42           HN       TYR  42   7.321   4.037  -2.099
  102    HA   TYR  42           HA       TYR  42   8.413   4.076  -4.837
  103   1HB   TYR  42          HB2       TYR  42   7.266   1.689  -3.368
  104   2HB   TYR  42          HB3       TYR  42   7.881   1.696  -5.017
  105    HD1  TYR  42           HD1      TYR  42   8.680   1.261  -1.564
  106    HD2  TYR  42           HD2      TYR  42  10.363   2.208  -5.358
  107    HE1  TYR  42           HE1      TYR  42  10.907   0.659  -0.719
  108    HE2  TYR  42           HE2      TYR  42  12.595   1.612  -4.522
  109    HH   TYR  42           HH       TYR  42  13.067   0.000  -1.515
  110    H    LYS  43           HN       LYS  43   6.944   3.919  -6.509
  111    HA   LYS  43           HA       LYS  43   4.099   3.927  -5.734
  112   1HB   LYS  43          HB2       LYS  43   4.691   6.042  -6.784
  113   2HB   LYS  43          HB3       LYS  43   5.436   5.202  -8.138
  114   1HG   LYS  43          HG2       LYS  43   3.286   4.340  -8.830
  115   2HG   LYS  43          HG3       LYS  43   2.515   5.077  -7.428
  116   1HD   LYS  43          HD2       LYS  43   3.962   6.611  -9.579
  117   2HD   LYS  43          HD3       LYS  43   2.216   6.358  -9.533
  118   1HE   LYS  43          HE2       LYS  43   2.366   7.370  -7.167
  119   2HE   LYS  43          HE3       LYS  43   3.943   7.963  -7.685
  120   1HZ   LYS  43          HZ1       LYS  43   2.197   9.599  -8.042
  121   2HZ   LYS  43          HZ2       LYS  43   1.361   8.515  -9.040
  122   3HZ   LYS  43          HZ3       LYS  43   2.874   9.109  -9.520
  123    H    GLY  44           HN       GLY  44   3.668   1.821  -5.829
  124   1HA   GLY  44          HA1       GLY  44   4.390   0.403  -8.317
  125   2HA   GLY  44          HA2       GLY  44   4.427  -0.371  -6.736
  126    H    LYS  45           HN       LYS  45   2.962  -1.532  -8.681
  127    HA   LYS  45           HA       LYS  45   0.207  -0.640  -8.225
  128   1HB   LYS  45          HB2       LYS  45   1.502  -2.167 -10.455
  129   2HB   LYS  45          HB3       LYS  45  -0.231  -2.331 -10.146
  130   1HG   LYS  45          HG2       LYS  45   0.280  -0.662 -11.890
  131   2HG   LYS  45          HG3       LYS  45  -0.589   0.014 -10.517
  132   1HD   LYS  45          HD2       LYS  45   1.047   1.607 -11.037
  133   2HD   LYS  45          HD3       LYS  45   1.702   0.741  -9.647
  134   1HE   LYS  45          HE2       LYS  45   3.027  -0.654 -11.198
  135   2HE   LYS  45          HE3       LYS  45   2.423   0.317 -12.539
  136   1HZ   LYS  45          HZ1       LYS  45   4.536   1.163 -11.972
  137   2HZ   LYS  45          HZ2       LYS  45   4.179   1.199 -10.319
  138   3HZ   LYS  45          HZ3       LYS  45   3.410   2.285 -11.371
  139    H    ILE  46           HN       ILE  46  -1.426  -2.204  -7.906
  140    HA   ILE  46           HA       ILE  46  -0.690  -4.292  -6.112
  141    HB   ILE  46           HB       ILE  46  -3.239  -3.273  -7.292
  142   1HG1  ILE  46          HG12      ILE  46  -3.915  -3.272  -4.893
  143   2HG1  ILE  46          HG13      ILE  46  -2.338  -3.929  -4.470
  144   1HG2  ILE  46          HG21      ILE  46  -4.482  -5.152  -6.384
  145   2HG2  ILE  46          HG22      ILE  46  -3.345  -5.684  -7.621
  146   3HG2  ILE  46          HG23      ILE  46  -2.976  -5.940  -5.916
  147   1HD1  ILE  46          HD11      ILE  46  -1.271  -1.899  -5.303
  148   2HD1  ILE  46          HD12      ILE  46  -2.848  -1.253  -5.760
  149   3HD1  ILE  46          HD13      ILE  46  -2.468  -1.529  -4.061
  150    H    THR  47           HN       THR  47  -0.433  -6.432  -6.531
  151    HA   THR  47           HA       THR  47  -1.037  -7.331  -9.274
  152    HB   THR  47           HB       THR  47   0.894  -8.812  -9.142
  153    HG1  THR  47           HG1      THR  47   1.267  -9.268  -7.045
  154   1HG2  THR  47          HG21      THR  47   2.637  -7.041  -9.105
  155   2HG2  THR  47          HG22      THR  47   1.431  -5.937  -8.431
  156   3HG2  THR  47          HG23      THR  47   1.213  -6.601 -10.051
  157    H    ARG  48           HN       ARG  48  -1.698  -7.720  -6.010
  158    HA   ARG  48           HA       ARG  48  -3.211 -10.120  -6.477
  159   1HB   ARG  48          HB2       ARG  48  -0.769 -10.782  -6.012
  160   2HB   ARG  48          HB3       ARG  48  -1.081 -10.266  -4.363
  161   1HG   ARG  48          HG2       ARG  48  -3.040 -11.857  -4.352
  162   2HG   ARG  48          HG3       ARG  48  -2.402 -12.507  -5.865
  163   1HD   ARG  48          HD2       ARG  48  -0.264 -12.986  -4.719
  164   2HD   ARG  48          HD3       ARG  48  -0.970 -12.395  -3.212
  165    HE   ARG  48           HE       ARG  48  -2.433 -14.271  -3.180
  166   1HH1  ARG  48          HH1       ARG  48  -0.031 -14.400  -5.743
  167   2HH1  ARG  48          HH1       ARG  48  -0.128 -16.125  -5.902
  168   1HH2  ARG  48          HH2       ARG  48  -2.530 -16.542  -3.392
  169   2HH2  ARG  48          HH2       ARG  48  -1.553 -17.337  -4.592
  170    H    ILE  49           HN       ILE  49  -5.022  -9.804  -5.394
  171    HA   ILE  49           HA       ILE  49  -4.864  -8.668  -2.685
  172    HB   ILE  49           HB       ILE  49  -6.901  -7.899  -4.781
  173   1HG1  ILE  49          HG12      ILE  49  -5.055  -6.039  -3.335
  174   2HG1  ILE  49          HG13      ILE  49  -4.503  -6.879  -4.786
  175   1HG2  ILE  49          HG21      ILE  49  -7.798  -6.394  -3.065
  176   2HG2  ILE  49          HG22      ILE  49  -7.920  -8.084  -2.575
  177   3HG2  ILE  49          HG23      ILE  49  -6.656  -7.055  -1.895
  178   1HD1  ILE  49          HD11      ILE  49  -5.282  -4.748  -5.421
  179   2HD1  ILE  49          HD12      ILE  49  -6.463  -5.935  -5.971
  180   3HD1  ILE  49          HD13      ILE  49  -6.798  -4.964  -4.535
  181    H    GLU  50           HN       GLU  50  -5.581 -10.172  -1.363
  182    HA   GLU  50           HA       GLU  50  -7.681 -11.971  -2.348
  183   1HB   GLU  50          HB2       GLU  50  -5.194 -12.525  -0.797
  184   2HB   GLU  50          HB3       GLU  50  -6.588 -13.572  -0.586
  185   1HG   GLU  50          HG2       GLU  50  -6.624 -13.910  -3.042
  186   2HG   GLU  50          HG3       GLU  50  -5.139 -12.972  -3.149
  187    HA   PRO  51           HA       PRO  51 -10.144 -10.263   0.911
  188   1HB   PRO  51          HB2       PRO  51 -11.757 -12.689   0.323
  189   2HB   PRO  51          HB3       PRO  51 -12.243 -10.991   0.326
  190   1HG   PRO  51          HG2       PRO  51 -11.940 -12.314  -1.966
  191   2HG   PRO  51          HG3       PRO  51 -11.435 -10.619  -1.816
  192   1HD   PRO  51          HD2       PRO  51  -9.768 -13.105  -1.779
  193   2HD   PRO  51          HD3       PRO  51  -9.441 -11.539  -2.552
  194    H    SER  52           HN       SER  52  -9.039 -13.574   0.676
  195    HA   SER  52           HA       SER  52  -9.813 -14.317   3.313
  196   1HB   SER  52          HB2       SER  52  -7.866 -15.628   1.412
  197   2HB   SER  52          HB3       SER  52  -8.496 -16.355   2.893
  198    HG   SER  52           HG       SER  52  -9.591 -16.352   0.470
  199    H    LEU  53           HN       LEU  53  -7.071 -12.650   2.002
  200    HA   LEU  53           HA       LEU  53  -5.817 -12.924   4.651
  201   1HB   LEU  53          HB2       LEU  53  -3.655 -12.354   3.468
  202   2HB   LEU  53          HB3       LEU  53  -4.325 -13.950   3.209
  203    HG   LEU  53           HG       LEU  53  -5.263 -13.089   1.026
  204   1HD1  LEU  53          HD11      LEU  53  -3.437 -10.775   1.643
  205   2HD1  LEU  53          HD12      LEU  53  -4.151 -11.114   0.066
  206   3HD1  LEU  53          HD13      LEU  53  -5.192 -10.717   1.436
  207   1HD2  LEU  53          HD21      LEU  53  -3.302 -14.509   1.166
  208   2HD2  LEU  53          HD22      LEU  53  -3.135 -13.322  -0.130
  209   3HD2  LEU  53          HD23      LEU  53  -2.278 -13.090   1.394
  210    H    GLU  54           HN       GLU  54  -7.599 -10.793   3.006
  211    HA   GLU  54           HA       GLU  54  -7.999  -8.571   3.210
  212   1HB   GLU  54          HB2       GLU  54  -7.907  -7.728   5.535
  213   2HB   GLU  54          HB3       GLU  54  -8.672  -9.305   5.408
  214   1HG   GLU  54          HG2       GLU  54  -6.584 -10.353   6.183
  215   2HG   GLU  54          HG3       GLU  54  -5.863  -8.754   6.351
  216    H    ALA  55           HN       ALA  55  -5.774  -8.776   1.818
  217    HA   ALA  55           HA       ALA  55  -4.329  -6.403   2.430
  218   1HB   ALA  55          HB1       ALA  55  -2.896  -9.032   2.705
  219   2HB   ALA  55          HB2       ALA  55  -2.132  -7.439   2.720
  220   3HB   ALA  55          HB3       ALA  55  -3.248  -7.895   4.010
  221    H    ALA  56           HN       ALA  56  -2.397  -6.192   0.854
  222    HA   ALA  56           HA       ALA  56  -3.018  -7.536  -1.687
  223   1HB   ALA  56          HB1       ALA  56  -4.187  -5.375  -1.653
  224   2HB   ALA  56          HB2       ALA  56  -2.648  -4.559  -1.380
  225   3HB   ALA  56          HB3       ALA  56  -2.927  -5.431  -2.886
  226    H    PHE  57           HN       PHE  57  -1.311  -8.004  -2.931
  227    HA   PHE  57           HA       PHE  57   1.349  -7.320  -1.949
  228   1HB   PHE  57          HB2       PHE  57   0.386  -9.201  -4.111
  229   2HB   PHE  57          HB3       PHE  57   2.088  -8.859  -3.831
  230    HD1  PHE  57           HD1      PHE  57   3.239  -9.775  -1.928
  231    HD2  PHE  57           HD2      PHE  57  -0.915 -10.482  -2.508
  232    HE1  PHE  57           HE1      PHE  57   3.303 -11.540  -0.215
  233    HE2  PHE  57           HE2      PHE  57  -0.859 -12.248  -0.798
  234    HZ   PHE  57           HZ       PHE  57   1.293 -12.848   0.278
  235    H    VAL  58           HN       VAL  58   2.701  -5.973  -2.958
  236    HA   VAL  58           HA       VAL  58   1.784  -4.703  -5.457
  237    HB   VAL  58           HB       VAL  58   3.074  -3.438  -3.039
  238   1HG1  VAL  58          HG11      VAL  58   4.454  -2.783  -4.953
  239   2HG1  VAL  58          HG12      VAL  58   3.010  -2.258  -5.818
  240   3HG1  VAL  58          HG13      VAL  58   3.510  -1.422  -4.348
  241   1HG2  VAL  58          HG21      VAL  58   0.666  -3.368  -3.129
  242   2HG2  VAL  58          HG22      VAL  58   1.311  -1.750  -3.420
  243   3HG2  VAL  58          HG23      VAL  58   0.714  -2.717  -4.769
  244    H    ASP  59           HN       ASP  59   3.233  -4.562  -7.082
  245    HA   ASP  59           HA       ASP  59   5.740  -6.010  -6.581
  246   1HB   ASP  59          HB2       ASP  59   4.132  -7.151  -8.074
  247   2HB   ASP  59          HB3       ASP  59   4.188  -5.749  -9.159
  248    H    TYR  60           HN       TYR  60   7.345  -4.579  -6.358
  249    HA   TYR  60           HA       TYR  60   7.849  -2.957  -8.751
  250   1HB   TYR  60          HB2       TYR  60   9.017  -1.290  -7.428
  251   2HB   TYR  60          HB3       TYR  60   7.407  -1.494  -6.762
  252    HD1  TYR  60           HD1      TYR  60   7.271  -3.256  -4.787
  253    HD2  TYR  60           HD2      TYR  60  10.810  -1.196  -5.942
  254    HE1  TYR  60           HE1      TYR  60   8.203  -3.622  -2.548
  255    HE2  TYR  60           HE2      TYR  60  11.751  -1.556  -3.696
  256    HH   TYR  60           HH       TYR  60  10.933  -1.993  -1.400
  257    H    GLY  61           HN       GLY  61   8.689  -5.153  -9.349
  258   1HA   GLY  61          HA1       GLY  61  10.307  -6.777  -9.517
  259   2HA   GLY  61          HA2       GLY  61  11.436  -5.467  -9.206
  260    H    ALA  62           HN       ALA  62   8.985  -6.644  -6.955
  261    HA   ALA  62           HA       ALA  62  11.105  -7.014  -4.973
  262   1HB   ALA  62          HB1       ALA  62   8.110  -6.931  -4.605
  263   2HB   ALA  62          HB2       ALA  62   9.315  -6.976  -3.316
  264   3HB   ALA  62          HB3       ALA  62   9.213  -5.573  -4.381
  265    H    GLU  63           HN       GLU  63  11.306  -8.894  -3.724
  266    HA   GLU  63           HA       GLU  63  10.795 -11.286  -5.215
  267   1HB   GLU  63          HB2       GLU  63  12.088 -10.799  -2.532
  268   2HB   GLU  63          HB3       GLU  63  11.924 -12.397  -3.247
  269   1HG   GLU  63          HG2       GLU  63  13.405 -10.082  -4.475
  270   2HG   GLU  63          HG3       GLU  63  14.139 -11.437  -3.615
  271    H    ARG  64           HN       ARG  64   9.768 -10.115  -1.984
  272    HA   ARG  64           HA       ARG  64   7.820 -12.308  -1.916
  273   1HB   ARG  64          HB2       ARG  64   7.914 -10.334   0.299
  274   2HB   ARG  64          HB3       ARG  64   7.696 -12.075   0.357
  275   1HG   ARG  64          HG2       ARG  64  10.287 -10.615  -0.072
  276   2HG   ARG  64          HG3       ARG  64   9.771 -11.417   1.407
  277   1HD   ARG  64          HD2       ARG  64   9.943 -13.561   0.406
  278   2HD   ARG  64          HD3       ARG  64  10.107 -12.866  -1.210
  279    HE   ARG  64           HE       ARG  64  12.182 -11.935   0.468
  280   1HH1  ARG  64          HH1       ARG  64  11.169 -14.820  -1.241
  281   2HH1  ARG  64          HH1       ARG  64  12.800 -15.390  -1.478
  282   1HH2  ARG  64          HH2       ARG  64  14.314 -12.674   0.120
  283   2HH2  ARG  64          HH2       ARG  64  14.577 -14.163  -0.731
  284    H    HIS  65           HN       HIS  65   8.048  -9.184  -2.930
  285    HA   HIS  65           HA       HIS  65   6.579  -7.647  -3.727
  286   1HB   HIS  65          HB2       HIS  65   4.589  -9.776  -3.006
  287   2HB   HIS  65          HB3       HIS  65   4.030  -8.148  -3.374
  288    HD1  HIS  65           HD1      HIS  65   2.851  -8.962  -5.514
  289    HD2  HIS  65           HD2      HIS  65   6.948  -9.589  -5.485
  290    HE1  HIS  65           HE1      HIS  65   3.452  -9.540  -7.868
  291    HE2  HIS  65           HE2      HIS  65   5.953  -9.788  -7.870
  292    H    GLY  66           HN       GLY  66   5.645  -5.810  -2.935
  293   1HA   GLY  66          HA1       GLY  66   5.929  -5.350  -0.129
  294   2HA   GLY  66          HA2       GLY  66   5.290  -4.214  -1.315
  295    H    PHE  67           HN       PHE  67   4.552  -6.391   1.167
  296    HA   PHE  67           HA       PHE  67   1.798  -6.786   0.337
  297   1HB   PHE  67          HB2       PHE  67   3.362  -8.524   1.434
  298   2HB   PHE  67          HB3       PHE  67   3.028  -7.669   2.929
  299    HD1  PHE  67           HD1      PHE  67   0.656  -8.320   0.168
  300    HD2  PHE  67           HD2      PHE  67   1.855  -9.293   4.131
  301    HE1  PHE  67           HE1      PHE  67  -1.411  -9.621   0.471
  302    HE2  PHE  67           HE2      PHE  67  -0.207 -10.594   4.440
  303    HZ   PHE  67           HZ       PHE  67  -1.800 -10.841   2.556
  304    H    LEU  68           HN       LEU  68   0.589  -5.013   0.592
  305    HA   LEU  68           HA       LEU  68   0.795  -3.410   3.024
  306   1HB   LEU  68          HB2       LEU  68   0.259  -2.769   0.389
  307   2HB   LEU  68          HB3       LEU  68  -1.326  -2.721   1.127
  308    HG   LEU  68           HG       LEU  68   1.077  -1.078   1.886
  309   1HD1  LEU  68          HD11      LEU  68  -0.107  -0.284  -0.068
  310   2HD1  LEU  68          HD12      LEU  68  -1.632  -0.330   0.817
  311   3HD1  LEU  68          HD13      LEU  68  -0.367   0.800   1.302
  312   1HD2  LEU  68          HD21      LEU  68  -1.605  -1.233   3.234
  313   2HD2  LEU  68          HD22      LEU  68  -0.053  -1.728   3.913
  314   3HD2  LEU  68          HD23      LEU  68  -0.358  -0.028   3.560
  315    HA   PRO  69           HA       PRO  69  -2.634  -5.843   4.750
  316   1HB   PRO  69          HB2       PRO  69  -2.214  -3.940   6.973
  317   2HB   PRO  69          HB3       PRO  69  -2.204  -5.706   6.994
  318   1HG   PRO  69          HG2       PRO  69   0.058  -4.308   7.264
  319   2HG   PRO  69          HG3       PRO  69   0.020  -5.833   6.358
  320   1HD   PRO  69          HD2       PRO  69   0.029  -3.019   5.332
  321   2HD   PRO  69          HD3       PRO  69   0.921  -4.438   4.737
  322    H    LEU  70           HN       LEU  70  -4.774  -5.403   4.808
  323    HA   LEU  70           HA       LEU  70  -5.810  -3.104   3.625
  324   1HB   LEU  70          HB2       LEU  70  -7.137  -5.020   3.530
  325   2HB   LEU  70          HB3       LEU  70  -7.021  -5.305   5.253
  326    HG   LEU  70           HG       LEU  70  -8.470  -3.341   5.652
  327   1HD1  LEU  70          HD11      LEU  70  -9.674  -2.339   3.780
  328   2HD1  LEU  70          HD12      LEU  70  -7.935  -2.072   3.650
  329   3HD1  LEU  70          HD13      LEU  70  -8.715  -3.300   2.651
  330   1HD2  LEU  70          HD21      LEU  70 -10.541  -4.383   4.868
  331   2HD2  LEU  70          HD22      LEU  70  -9.604  -5.425   3.798
  332   3HD2  LEU  70          HD23      LEU  70  -9.426  -5.570   5.546
  333    H    LYS  71           HN       LYS  71  -5.240  -3.826   7.001
  334    HA   LYS  71           HA       LYS  71  -6.871  -1.832   8.122
  335   1HB   LYS  71          HB2       LYS  71  -5.566  -2.164  10.162
  336   2HB   LYS  71          HB3       LYS  71  -5.962  -3.705   9.420
  337   1HG   LYS  71          HG2       LYS  71  -3.701  -3.801   8.457
  338   2HG   LYS  71          HG3       LYS  71  -3.311  -2.285   9.273
  339   1HD   LYS  71          HD2       LYS  71  -3.828  -3.377  11.441
  340   2HD   LYS  71          HD3       LYS  71  -4.074  -4.896  10.578
  341   1HE   LYS  71          HE2       LYS  71  -1.856  -4.894  11.483
  342   2HE   LYS  71          HE3       LYS  71  -1.749  -4.734   9.731
  343   1HZ   LYS  71          HZ1       LYS  71  -0.221  -3.232  10.852
  344   2HZ   LYS  71          HZ2       LYS  71  -1.507  -2.509  11.687
  345   3HZ   LYS  71          HZ3       LYS  71  -1.400  -2.346  10.007
  346    H    GLU  72           HN       GLU  72  -4.093  -1.527   6.276
  347    HA   GLU  72           HA       GLU  72  -3.262   0.993   7.503
  348   1HB   GLU  72          HB2       GLU  72  -2.037  -0.435   5.138
  349   2HB   GLU  72          HB3       GLU  72  -1.317   0.852   6.099
  350   1HG   GLU  72          HG2       GLU  72  -1.980  -1.883   7.162
  351   2HG   GLU  72          HG3       GLU  72  -0.401  -1.416   6.535
  352    H    ILE  73           HN       ILE  73  -5.155  -0.210   4.899
  353    HA   ILE  73           HA       ILE  73  -4.420   1.318   2.746
  354    HB   ILE  73           HB       ILE  73  -7.015   0.064   3.507
  355   1HG1  ILE  73          HG12      ILE  73  -4.941  -0.364   1.352
  356   2HG1  ILE  73          HG13      ILE  73  -5.339  -1.425   2.702
  357   1HG2  ILE  73          HG21      ILE  73  -7.745   2.052   2.366
  358   2HG2  ILE  73          HG22      ILE  73  -6.601   1.765   1.056
  359   3HG2  ILE  73          HG23      ILE  73  -7.950   0.660   1.303
  360   1HD1  ILE  73          HD11      ILE  73  -7.513  -1.878   1.711
  361   2HD1  ILE  73          HD12      ILE  73  -7.132  -0.796   0.371
  362   3HD1  ILE  73          HD13      ILE  73  -6.203  -2.276   0.601
  363    H    ALA  74           HN       ALA  74  -4.603   3.283   2.057
  364    HA   ALA  74           HA       ALA  74  -6.038   5.268   3.661
  365   1HB   ALA  74          HB1       ALA  74  -4.626   6.909   2.593
  366   2HB   ALA  74          HB2       ALA  74  -3.625   5.599   3.222
  367   3HB   ALA  74          HB3       ALA  74  -3.976   5.685   1.495
  368    H    ARG  75           HN       ARG  75  -7.190   6.964   2.550
  369    HA   ARG  75           HA       ARG  75  -9.159   5.839   0.902
  370   1HB   ARG  75          HB2       ARG  75  -9.502   7.649   2.583
  371   2HB   ARG  75          HB3       ARG  75  -8.771   8.776   1.448
  372   1HG   ARG  75          HG2       ARG  75 -10.536   8.541  -0.085
  373   2HG   ARG  75          HG3       ARG  75 -11.151   7.100   0.721
  374   1HD   ARG  75          HD2       ARG  75 -12.545   9.050   1.176
  375   2HD   ARG  75          HD3       ARG  75 -11.798   8.428   2.645
  376    HE   ARG  75           HE       ARG  75 -10.074  10.364   1.873
  377   1HH1  ARG  75          HH1       ARG  75 -13.547  10.317   2.295
  378   2HH1  ARG  75          HH1       ARG  75 -13.640  11.961   2.838
  379   1HH2  ARG  75          HH2       ARG  75 -10.189  12.539   2.558
  380   2HH2  ARG  75          HH2       ARG  75 -11.728  13.238   2.955
  381    H    GLU  76           HN       GLU  76  -6.169   7.287  -0.096
  382    HA   GLU  76           HA       GLU  76  -7.025   8.174  -2.656
  383   1HB   GLU  76          HB2       GLU  76  -4.794   8.759  -1.958
  384   2HB   GLU  76          HB3       GLU  76  -4.349   7.067  -1.765
  385   1HG   GLU  76          HG2       GLU  76  -4.491   6.718  -4.145
  386   2HG   GLU  76          HG3       GLU  76  -5.054   8.355  -4.405
  387    H    TYR  77           HN       TYR  77  -6.652   5.054  -1.288
  388    HA   TYR  77           HA       TYR  77  -6.248   3.635  -3.757
  389   1HB   TYR  77          HB2       TYR  77  -7.055   2.580  -1.037
  390   2HB   TYR  77          HB3       TYR  77  -6.500   1.610  -2.396
  391    HD1  TYR  77           HD1      TYR  77  -4.487   4.226  -2.857
  392    HD2  TYR  77           HD2      TYR  77  -5.124   1.248   0.116
  393    HE1  TYR  77           HE1      TYR  77  -2.158   4.471  -2.115
  394    HE2  TYR  77           HE2      TYR  77  -2.794   1.490   0.864
  395    HH   TYR  77           HH       TYR  77  -0.672   2.272   0.056
  396    H    PHE  78           HN       PHE  78  -8.944   3.802  -1.440
  397    HA   PHE  78           HA       PHE  78 -10.791   3.261  -3.651
  398   1HB   PHE  78          HB2       PHE  78 -12.545   3.074  -1.893
  399   2HB   PHE  78          HB3       PHE  78 -11.257   1.898  -1.693
  400    HD1  PHE  78           HD1      PHE  78  -9.266   2.891  -0.087
  401    HD2  PHE  78           HD2      PHE  78 -13.378   3.984   0.015
  402    HE1  PHE  78           HE1      PHE  78  -9.021   3.570   2.262
  403    HE2  PHE  78           HE2      PHE  78 -13.137   4.673   2.366
  404    HZ   PHE  78           HZ       PHE  78 -10.955   4.460   3.492
  405    HA   PRO  79           HA       PRO  79 -10.393   7.428  -4.589
  406   1HB   PRO  79          HB2       PRO  79 -13.099   7.821  -5.368
  407   2HB   PRO  79          HB3       PRO  79 -11.712   7.465  -6.402
  408   1HG   PRO  79          HG2       PRO  79 -13.722   5.628  -5.218
  409   2HG   PRO  79          HG3       PRO  79 -12.898   5.519  -6.786
  410   1HD   PRO  79          HD2       PRO  79 -12.174   3.908  -4.815
  411   2HD   PRO  79          HD3       PRO  79 -10.916   4.697  -5.798
  412    H    ALA  80           HN       ALA  80 -10.441   9.218  -3.554
  413    HA   ALA  80           HA       ALA  80 -11.361   9.408  -0.958
  414   1HB   ALA  80          HB1       ALA  80 -10.566  11.673  -1.055
  415   2HB   ALA  80          HB2       ALA  80  -9.473  10.603  -1.945
  416   3HB   ALA  80          HB3       ALA  80 -10.604  11.636  -2.820
  417    H    ASN  81           HN       ASN  81 -13.132   9.997  -3.843
  418    HA   ASN  81           HA       ASN  81 -15.098  11.683  -2.500
  419   1HB   ASN  81          HB2       ASN  81 -14.931  10.645  -5.332
  420   2HB   ASN  81          HB3       ASN  81 -16.275  11.605  -4.724
  421   1HD2  ASN  81          HD21      ASN  81 -14.338  12.181  -6.835
  422   2HD2  ASN  81          HD22      ASN  81 -13.586  13.675  -6.389
  423    H    TYR  82           HN       TYR  82 -14.449   8.493  -2.555
  424    HA   TYR  82           HA       TYR  82 -17.135   7.448  -2.783
  425   1HB   TYR  82          HB2       TYR  82 -15.196   6.094  -3.463
  426   2HB   TYR  82          HB3       TYR  82 -14.549   6.177  -1.830
  427    HD1  TYR  82           HD1      TYR  82 -17.567   5.017  -3.697
  428    HD2  TYR  82           HD2      TYR  82 -14.999   4.450  -0.351
  429    HE1  TYR  82           HE1      TYR  82 -18.792   2.967  -3.114
  430    HE2  TYR  82           HE2      TYR  82 -16.211   2.395   0.236
  431    HH   TYR  82           HH       TYR  82 -18.222   0.791  -1.824
  432    H    SER  83           HN       SER  83 -18.446   6.780  -1.093
  433    HA   SER  83           HA       SER  83 -18.138   8.096   1.411
  434   1HB   SER  83          HB2       SER  83 -20.055   5.872   0.666
  435   2HB   SER  83          HB3       SER  83 -20.216   6.982   2.027
  436    HG   SER  83           HG       SER  83 -21.461   7.874   0.491
  437    H    ALA  84           HN       ALA  84 -16.424   7.447   2.593
  438    HA   ALA  84           HA       ALA  84 -15.580   4.745   2.835
  439   1HB   ALA  84          HB1       ALA  84 -14.052   6.642   3.149
  440   2HB   ALA  84          HB2       ALA  84 -14.932   7.101   4.607
  441   3HB   ALA  84          HB3       ALA  84 -14.062   5.568   4.548
  442    H    HIS  85           HN       HIS  85 -17.208   3.450   3.521
  443    HA   HIS  85           HA       HIS  85 -18.847   4.086   5.780
  444   1HB   HIS  85          HB2       HIS  85 -19.864   1.894   5.434
  445   2HB   HIS  85          HB3       HIS  85 -19.715   2.747   3.907
  446    HD1  HIS  85           HD1      HIS  85 -19.338  -0.495   5.239
  447    HD2  HIS  85           HD2      HIS  85 -17.125   1.782   2.543
  448    HE1  HIS  85           HE1      HIS  85 -17.949  -2.139   3.937
  449    HE2  HIS  85           HE2      HIS  85 -16.723  -0.761   2.229
  450    H    GLY  86           HN       GLY  86 -16.698   4.462   6.997
  451   1HA   GLY  86          HA1       GLY  86 -15.721   3.805   9.018
  452   2HA   GLY  86          HA2       GLY  86 -16.323   2.172   8.752
  453    H    ARG  87           HN       ARG  87 -14.660   0.823   8.688
  454    HA   ARG  87           HA       ARG  87 -12.082   1.685   7.687
  455   1HB   ARG  87          HB2       ARG  87 -13.022  -0.992   8.742
  456   2HB   ARG  87          HB3       ARG  87 -11.360  -0.617   8.300
  457   1HG   ARG  87          HG2       ARG  87 -11.325   1.142  10.017
  458   2HG   ARG  87          HG3       ARG  87 -12.963   0.689  10.489
  459   1HD   ARG  87          HD2       ARG  87 -12.180  -1.548  11.072
  460   2HD   ARG  87          HD3       ARG  87 -10.546  -1.114  10.568
  461    HE   ARG  87           HE       ARG  87 -11.698   0.593  12.607
  462   1HH1  ARG  87          HH1       ARG  87  -9.744  -2.242  11.931
  463   2HH1  ARG  87          HH1       ARG  87  -8.954  -2.211  13.478
  464   1HH2  ARG  87          HH2       ARG  87 -10.648   0.619  14.634
  465   2HH2  ARG  87          HH2       ARG  87  -9.460  -0.595  15.012
  466    HA   PRO  88           HA       PRO  88 -12.692   0.485   3.474
  467   1HB   PRO  88          HB2       PRO  88  -9.996  -0.144   3.023
  468   2HB   PRO  88          HB3       PRO  88 -10.760   1.425   2.769
  469   1HG   PRO  88          HG2       PRO  88  -9.088   0.471   5.020
  470   2HG   PRO  88          HG3       PRO  88  -9.267   2.109   4.359
  471   1HD   PRO  88          HD2       PRO  88 -10.388   1.346   6.700
  472   2HD   PRO  88          HD3       PRO  88 -11.125   2.554   5.623
  473    H    ASN  89           HN       ASN  89 -12.714  -1.322   2.174
  474    HA   ASN  89           HA       ASN  89 -11.851  -3.864   3.378
  475   1HB   ASN  89          HB2       ASN  89 -13.740  -4.817   1.840
  476   2HB   ASN  89          HB3       ASN  89 -14.163  -4.094   3.383
  477   1HD2  ASN  89          HD21      ASN  89 -13.320  -2.384   0.385
  478   2HD2  ASN  89          HD22      ASN  89 -14.880  -1.663   0.160
  479    H    ILE  90           HN       ILE  90 -10.204  -4.771   2.296
  480    HA   ILE  90           HA       ILE  90  -9.050  -3.248   0.233
  481    HB   ILE  90           HB       ILE  90  -7.754  -4.518   1.919
  482   1HG1  ILE  90          HG12      ILE  90  -6.843  -5.461  -0.766
  483   2HG1  ILE  90          HG13      ILE  90  -6.987  -3.731  -0.467
  484   1HG2  ILE  90          HG21      ILE  90  -8.992  -6.629   1.877
  485   2HG2  ILE  90          HG22      ILE  90  -8.420  -6.935   0.237
  486   3HG2  ILE  90          HG23      ILE  90  -7.270  -6.884   1.575
  487   1HD1  ILE  90          HD11      ILE  90  -4.730  -4.507  -0.073
  488   2HD1  ILE  90          HD12      ILE  90  -5.466  -3.937   1.425
  489   3HD1  ILE  90          HD13      ILE  90  -5.324  -5.667   1.115
  490    H    LYS  91           HN       LYS  91 -10.692  -6.356   0.145
  491    HA   LYS  91           HA       LYS  91 -10.229  -7.012  -2.525
  492   1HB   LYS  91          HB2       LYS  91 -12.463  -8.251  -2.255
  493   2HB   LYS  91          HB3       LYS  91 -11.151  -8.678  -1.163
  494   1HG   LYS  91          HG2       LYS  91 -12.184  -7.000   0.459
  495   2HG   LYS  91          HG3       LYS  91 -13.603  -7.049  -0.589
  496   1HD   LYS  91          HD2       LYS  91 -12.355  -9.546   0.519
  497   2HD   LYS  91          HD3       LYS  91 -13.553  -8.622   1.430
  498   1HE   LYS  91          HE2       LYS  91 -13.971  -9.774  -1.327
  499   2HE   LYS  91          HE3       LYS  91 -14.552 -10.494   0.175
  500   1HZ   LYS  91          HZ1       LYS  91 -16.351  -9.310  -0.703
  501   2HZ   LYS  91          HZ2       LYS  91 -15.405  -7.956  -1.090
  502   3HZ   LYS  91          HZ3       LYS  91 -15.750  -8.313   0.533
  503    H    ASP  92           HN       ASP  92 -12.162  -4.523  -1.202
  504    HA   ASP  92           HA       ASP  92 -13.546  -4.118  -3.776
  505   1HB   ASP  92          HB2       ASP  92 -15.089  -4.802  -2.002
  506   2HB   ASP  92          HB3       ASP  92 -14.497  -3.514  -0.963
  507    H    VAL  93           HN       VAL  93 -10.969  -3.089  -2.371
  508    HA   VAL  93           HA       VAL  93 -11.520  -0.209  -2.689
  509    HB   VAL  93           HB       VAL  93  -9.807  -1.623  -0.656
  510   1HG1  VAL  93          HG11      VAL  93  -9.597   1.284  -1.427
  511   2HG1  VAL  93          HG12      VAL  93  -8.801   0.522  -0.053
  512   3HG1  VAL  93          HG13      VAL  93  -8.364   0.053  -1.697
  513   1HG2  VAL  93          HG21      VAL  93 -11.845   0.592  -0.450
  514   2HG2  VAL  93          HG22      VAL  93 -12.099  -1.099  -0.025
  515   3HG2  VAL  93          HG23      VAL  93 -10.963  -0.119   0.900
  516    H    LEU  94           HN       LEU  94  -9.002  -2.696  -2.811
  517    HA   LEU  94           HA       LEU  94  -7.508  -1.014  -4.680
  518   1HB   LEU  94          HB2       LEU  94  -6.758  -3.362  -2.967
  519   2HB   LEU  94          HB3       LEU  94  -5.745  -2.854  -4.303
  520    HG   LEU  94           HG       LEU  94  -6.479  -1.152  -1.920
  521   1HD1  LEU  94          HD11      LEU  94  -3.923  -2.563  -2.675
  522   2HD1  LEU  94          HD12      LEU  94  -4.094  -1.406  -1.351
  523   3HD1  LEU  94          HD13      LEU  94  -4.971  -2.936  -1.307
  524   1HD2  LEU  94          HD21      LEU  94  -4.612  -0.633  -4.229
  525   2HD2  LEU  94          HD22      LEU  94  -6.158   0.164  -3.944
  526   3HD2  LEU  94          HD23      LEU  94  -4.823   0.404  -2.817
  527    H    ARG  95           HN       ARG  95  -6.784  -1.836  -6.623
  528    HA   ARG  95           HA       ARG  95  -7.719  -4.463  -7.441
  529   1HB   ARG  95          HB2       ARG  95  -8.246  -3.329  -9.750
  530   2HB   ARG  95          HB3       ARG  95  -9.455  -3.397  -8.483
  531   1HG   ARG  95          HG2       ARG  95  -7.694  -1.001  -8.726
  532   2HG   ARG  95          HG3       ARG  95  -9.077  -1.202  -9.807
  533   1HD   ARG  95          HD2       ARG  95 -10.481  -1.564  -7.743
  534   2HD   ARG  95          HD3       ARG  95  -9.084  -1.048  -6.799
  535    HE   ARG  95           HE       ARG  95  -9.400   0.987  -8.531
  536   1HH1  ARG  95          HH1       ARG  95 -11.594  -0.671  -6.377
  537   2HH1  ARG  95          HH1       ARG  95 -12.621   0.707  -6.132
  538   1HH2  ARG  95          HH2       ARG  95 -10.765   2.800  -8.265
  539   2HH2  ARG  95          HH2       ARG  95 -12.173   2.677  -7.240
  540    H    GLU  96           HN       GLU  96  -6.611  -5.327  -9.210
  541    HA   GLU  96           HA       GLU  96  -3.831  -4.939  -9.058
  542   1HB   GLU  96          HB2       GLU  96  -5.302  -6.458 -11.214
  543   2HB   GLU  96          HB3       GLU  96  -3.689  -6.770 -10.578
  544   1HG   GLU  96          HG2       GLU  96  -4.545  -7.598  -8.537
  545   2HG   GLU  96          HG3       GLU  96  -6.162  -6.991  -8.885
  546    H    GLY  97           HN       GLY  97  -2.529  -3.662 -10.189
  547   1HA   GLY  97          HA1       GLY  97  -1.821  -2.558 -12.185
  548   2HA   GLY  97          HA2       GLY  97  -3.495  -2.505 -12.713
  549    H    GLN  98           HN       GLN  98  -3.851  -1.712  -9.650
  550    HA   GLN  98           HA       GLN  98  -3.785   1.145 -10.184
  551   1HB   GLN  98          HB2       GLN  98  -5.705  -0.057  -9.013
  552   2HB   GLN  98          HB3       GLN  98  -4.633  -0.221  -7.632
  553   1HG   GLN  98          HG2       GLN  98  -4.516   2.111  -7.306
  554   2HG   GLN  98          HG3       GLN  98  -5.281   2.438  -8.860
  555   1HE2  GLN  98          HE21      GLN  98  -5.791   1.386  -5.583
  556   2HE2  GLN  98          HE22      GLN  98  -7.507   1.603  -5.576
  557    H    GLU  99           HN       GLU  99  -2.398   2.584  -9.246
  558    HA   GLU  99           HA       GLU  99  -0.029   1.448  -8.025
  559   1HB   GLU  99          HB2       GLU  99   0.916   3.700  -8.230
  560   2HB   GLU  99          HB3       GLU  99   0.269   3.128  -9.766
  561   1HG   GLU  99          HG2       GLU  99  -1.720   4.461  -9.452
  562   2HG   GLU  99          HG3       GLU  99  -1.138   4.999  -7.863
  563    H    VAL 100           HN       VAL 100   0.904   2.241  -6.114
  564    HA   VAL 100           HA       VAL 100  -0.828   3.796  -4.328
  565    HB   VAL 100           HB       VAL 100  -0.171   2.407  -2.424
  566   1HG1  VAL 100          HG11      VAL 100  -1.499   0.385  -2.956
  567   2HG1  VAL 100          HG12      VAL 100  -2.278   1.889  -3.450
  568   3HG1  VAL 100          HG13      VAL 100  -1.489   0.869  -4.653
  569   1HG2  VAL 100          HG21      VAL 100   0.951   0.263  -2.732
  570   2HG2  VAL 100          HG22      VAL 100   1.097   0.579  -4.461
  571   3HG2  VAL 100          HG23      VAL 100   1.966   1.590  -3.304
  572    H    ILE 101           HN       ILE 101   0.312   5.098  -2.856
  573    HA   ILE 101           HA       ILE 101   3.184   5.386  -3.348
  574    HB   ILE 101           HB       ILE 101   1.573   7.079  -1.448
  575   1HG1  ILE 101          HG12      ILE 101   0.336   7.105  -3.550
  576   2HG1  ILE 101          HG13      ILE 101   1.127   8.650  -3.286
  577   1HG2  ILE 101          HG21      ILE 101   3.998   7.682  -3.135
  578   2HG2  ILE 101          HG22      ILE 101   3.232   8.781  -1.988
  579   3HG2  ILE 101          HG23      ILE 101   4.008   7.305  -1.412
  580   1HD1  ILE 101          HD11      ILE 101   2.081   6.466  -5.106
  581   2HD1  ILE 101          HD12      ILE 101   1.302   7.972  -5.592
  582   3HD1  ILE 101          HD13      ILE 101   2.895   8.007  -4.835
  583    H    VAL 102           HN       VAL 102   4.429   4.106  -2.116
  584    HA   VAL 102           HA       VAL 102   3.768   3.726   0.708
  585    HB   VAL 102           HB       VAL 102   4.182   1.235   0.422
  586   1HG1  VAL 102          HG11      VAL 102   1.677   2.475  -0.703
  587   2HG1  VAL 102          HG12      VAL 102   1.824   0.798  -0.174
  588   3HG1  VAL 102          HG13      VAL 102   2.010   2.112   0.991
  589   1HG2  VAL 102          HG21      VAL 102   3.576   0.315  -1.802
  590   2HG2  VAL 102          HG22      VAL 102   3.583   1.954  -2.449
  591   3HG2  VAL 102          HG23      VAL 102   5.072   1.246  -1.825
  592    H    GLN 103           HN       GLN 103   5.482   3.498   1.965
  593    HA   GLN 103           HA       GLN 103   8.068   2.949   0.688
  594   1HB   GLN 103          HB2       GLN 103   9.098   4.055   2.672
  595   2HB   GLN 103          HB3       GLN 103   8.101   5.143   1.712
  596   1HG   GLN 103          HG2       GLN 103   6.301   4.953   3.316
  597   2HG   GLN 103          HG3       GLN 103   7.227   3.784   4.253
  598   1HE2  GLN 103          HE21      GLN 103   8.911   4.483   5.527
  599   2HE2  GLN 103          HE22      GLN 103   9.168   6.154   5.901
  600    H    ILE 104           HN       ILE 104   9.347   1.354   1.570
  601    HA   ILE 104           HA       ILE 104   7.925  -0.750   2.868
  602    HB   ILE 104           HB       ILE 104  10.796  -0.446   2.019
  603   1HG1  ILE 104          HG12      ILE 104   9.214  -0.712   0.207
  604   2HG1  ILE 104          HG13      ILE 104  10.125  -2.207   0.393
  605   1HG2  ILE 104          HG21      ILE 104  11.095  -2.830   2.523
  606   2HG2  ILE 104          HG22      ILE 104  10.799  -1.874   3.975
  607   3HG2  ILE 104          HG23      ILE 104   9.504  -2.856   3.286
  608   1HD1  ILE 104          HD11      ILE 104   7.743  -2.616  -0.022
  609   2HD1  ILE 104          HD12      ILE 104   8.248  -3.230   1.552
  610   3HD1  ILE 104          HD13      ILE 104   7.340  -1.723   1.444
  611    H    ASP 105           HN       ASP 105   7.339  -0.444   4.854
  612    HA   ASP 105           HA       ASP 105   9.041   0.854   6.799
  613   1HB   ASP 105          HB2       ASP 105   6.540   1.156   6.728
  614   2HB   ASP 105          HB3       ASP 105   6.382  -0.525   7.242
  615    H    LYS 106           HN       LYS 106   7.921  -2.351   5.978
  616    HA   LYS 106           HA       LYS 106   9.630  -3.434   8.100
  617   1HB   LYS 106          HB2       LYS 106   7.046  -3.959   7.901
  618   2HB   LYS 106          HB3       LYS 106   7.630  -5.110   6.708
  619   1HG   LYS 106          HG2       LYS 106   8.711  -6.400   8.247
  620   2HG   LYS 106          HG3       LYS 106   8.887  -5.073   9.392
  621   1HD   LYS 106          HD2       LYS 106   7.244  -6.831  10.081
  622   2HD   LYS 106          HD3       LYS 106   6.587  -5.198  10.011
  623   1HE   LYS 106          HE2       LYS 106   5.031  -6.811   9.057
  624   2HE   LYS 106          HE3       LYS 106   5.598  -5.677   7.835
  625   1HZ   LYS 106          HZ1       LYS 106   6.635  -8.437   8.231
  626   2HZ   LYS 106          HZ2       LYS 106   7.123  -7.350   7.023
  627   3HZ   LYS 106          HZ3       LYS 106   5.541  -7.958   7.018
  628    H    GLU 107           HN       GLU 107  11.072  -5.056   7.596
  629    HA   GLU 107           HA       GLU 107  12.197  -4.456   4.993
  630   1HB   GLU 107          HB2       GLU 107  13.194  -4.393   7.437
  631   2HB   GLU 107          HB3       GLU 107  13.565  -6.072   7.084
  632   1HG   GLU 107          HG2       GLU 107  14.365  -3.992   5.115
  633   2HG   GLU 107          HG3       GLU 107  15.300  -4.170   6.599
  634    H    GLU 108           HN       GLU 108  12.502  -5.915   3.384
  635    HA   GLU 108           HA       GLU 108  11.033  -8.337   3.432
  636   1HB   GLU 108          HB2       GLU 108  11.446  -7.005   1.371
  637   2HB   GLU 108          HB3       GLU 108  13.137  -7.484   1.434
  638   1HG   GLU 108          HG2       GLU 108  12.539  -9.797   1.150
  639   2HG   GLU 108          HG3       GLU 108  10.825  -9.393   1.218
  640    H    ARG 109           HN       ARG 109  11.576 -10.231   4.173
  641    HA   ARG 109           HA       ARG 109  14.384 -10.901   4.579
  642   1HB   ARG 109          HB2       ARG 109  13.649 -11.646   6.955
  643   2HB   ARG 109          HB3       ARG 109  13.989  -9.946   6.661
  644   1HG   ARG 109          HG2       ARG 109  11.496  -9.703   6.232
  645   2HG   ARG 109          HG3       ARG 109  11.335 -11.302   6.951
  646   1HD   ARG 109          HD2       ARG 109  10.944  -9.498   8.566
  647   2HD   ARG 109          HD3       ARG 109  12.319 -10.516   9.011
  648    HE   ARG 109           HE       ARG 109  12.676  -7.915   7.663
  649   1HH1  ARG 109          HH1       ARG 109  13.462 -10.189  10.201
  650   2HH1  ARG 109          HH1       ARG 109  14.659  -9.160  10.937
  651   1HH2  ARG 109          HH2       ARG 109  14.296  -6.572   8.603
  652   2HH2  ARG 109          HH2       ARG 109  15.160  -7.126  10.002
  653    H    GLY 110           HN       GLY 110  11.225 -12.272   5.637
  654   1HA   GLY 110          HA1       GLY 110  11.406 -14.375   3.720
  655   2HA   GLY 110          HA2       GLY 110  11.905 -14.917   5.314
  656    H    ASN 111           HN       ASN 111  10.229 -14.162   7.099
  657    HA   ASN 111           HA       ASN 111   8.007 -15.801   6.564
  658   1HB   ASN 111          HB2       ASN 111   8.828 -15.588   8.818
  659   2HB   ASN 111          HB3       ASN 111   8.528 -13.854   8.818
  660   1HD2  ASN 111          HD21      ASN 111   7.029 -17.013   8.846
  661   2HD2  ASN 111          HD22      ASN 111   5.494 -16.493   9.458
  662    H    LYS 112           HN       LYS 112   8.111 -12.248   7.041
  663    HA   LYS 112           HA       LYS 112   5.741 -12.167   5.325
  664   1HB   LYS 112          HB2       LYS 112   6.326 -10.425   7.709
  665   2HB   LYS 112          HB3       LYS 112   5.080 -10.053   6.523
  666   1HG   LYS 112          HG2       LYS 112   3.972 -12.177   7.031
  667   2HG   LYS 112          HG3       LYS 112   5.211 -12.530   8.233
  668   1HD   LYS 112          HD2       LYS 112   4.533 -10.543   9.503
  669   2HD   LYS 112          HD3       LYS 112   3.287 -10.204   8.297
  670   1HE   LYS 112          HE2       LYS 112   2.265 -12.400   8.786
  671   2HE   LYS 112          HE3       LYS 112   3.473 -12.661  10.042
  672   1HZ   LYS 112          HZ1       LYS 112   1.323 -11.849  10.891
  673   2HZ   LYS 112          HZ2       LYS 112   1.535 -10.406  10.024
  674   3HZ   LYS 112          HZ3       LYS 112   2.606 -10.810  11.273
  675    H    GLY 113           HN       GLY 113   8.680 -10.540   6.304
  676   1HA   GLY 113          HA1       GLY 113  10.222  -9.435   5.045
  677   2HA   GLY 113          HA2       GLY 113   9.421 -10.098   3.632
  678    H    ALA 114           HN       ALA 114   8.819  -8.641   2.264
  679    HA   ALA 114           HA       ALA 114   9.021  -5.882   2.781
  680   1HB   ALA 114          HB1       ALA 114   7.799  -7.303   0.418
  681   2HB   ALA 114          HB2       ALA 114   8.284  -5.605   0.475
  682   3HB   ALA 114          HB3       ALA 114   9.500  -6.876   0.605
  683    H    ALA 115           HN       ALA 115   7.624  -4.803   4.002
  684    HA   ALA 115           HA       ALA 115   4.752  -5.198   3.471
  685   1HB   ALA 115          HB1       ALA 115   5.966  -4.327   6.084
  686   2HB   ALA 115          HB2       ALA 115   4.262  -4.638   5.758
  687   3HB   ALA 115          HB3       ALA 115   5.425  -5.967   5.726
  688    H    LEU 116           HN       LEU 116   3.574  -3.442   3.026
  689    HA   LEU 116           HA       LEU 116   5.025  -0.947   2.630
  690   1HB   LEU 116          HB2       LEU 116   2.173  -1.600   1.898
  691   2HB   LEU 116          HB3       LEU 116   3.134  -0.252   1.319
  692    HG   LEU 116           HG       LEU 116   3.696  -3.151   0.691
  693   1HD1  LEU 116          HD11      LEU 116   2.905  -2.521  -1.581
  694   2HD1  LEU 116          HD12      LEU 116   1.639  -2.522  -0.351
  695   3HD1  LEU 116          HD13      LEU 116   2.328  -0.998  -0.905
  696   1HD2  LEU 116          HD21      LEU 116   5.210  -2.226  -0.996
  697   2HD2  LEU 116          HD22      LEU 116   4.867  -0.600  -0.406
  698   3HD2  LEU 116          HD23      LEU 116   5.686  -1.759   0.636
  699    H    THR 117           HN       THR 117   4.235   1.045   3.442
  700    HA   THR 117           HA       THR 117   2.485   0.767   5.797
  701    HB   THR 117           HB       THR 117   4.893   1.418   6.227
  702    HG1  THR 117           HG1      THR 117   3.759   2.078   7.915
  703   1HG2  THR 117          HG21      THR 117   5.528   3.727   5.765
  704   2HG2  THR 117          HG22      THR 117   3.996   3.989   4.929
  705   3HG2  THR 117          HG23      THR 117   5.181   2.862   4.267
  706    H    THR 118           HN       THR 118   1.409   2.947   6.351
  707    HA   THR 118           HA       THR 118   0.768   4.466   3.928
  708    HB   THR 118           HB       THR 118  -1.637   4.507   4.673
  709    HG1  THR 118           HG1      THR 118  -2.276   2.844   6.073
  710   1HG2  THR 118          HG21      THR 118  -0.915   3.191   2.759
  711   2HG2  THR 118          HG22      THR 118  -2.149   2.315   3.668
  712   3HG2  THR 118          HG23      THR 118  -0.449   1.867   3.824
  713    H    PHE 119           HN       PHE 119   2.210   4.916   6.681
  714    HA   PHE 119           HA       PHE 119   0.724   7.202   7.633
  715   1HB   PHE 119          HB2       PHE 119   2.784   7.748   8.961
  716   2HB   PHE 119          HB3       PHE 119   2.091   6.172   9.295
  717    HD1  PHE 119           HD1      PHE 119   3.557   4.477   9.624
  718    HD2  PHE 119           HD2      PHE 119   4.685   7.647   7.022
  719    HE1  PHE 119           HE1      PHE 119   5.778   3.459   9.349
  720    HE2  PHE 119           HE2      PHE 119   6.903   6.628   6.732
  721    HZ   PHE 119           HZ       PHE 119   7.454   4.532   7.900
  722    H    ILE 120           HN       ILE 120   0.861   7.360   5.047
  723    HA   ILE 120           HA       ILE 120   2.928   9.337   4.336
  724    HB   ILE 120           HB       ILE 120   1.548   7.527   2.350
  725   1HG1  ILE 120          HG12      ILE 120   4.196   6.850   3.629
  726   2HG1  ILE 120          HG13      ILE 120   2.680   6.235   4.272
  727   1HG2  ILE 120          HG21      ILE 120   4.197   8.971   2.362
  728   2HG2  ILE 120          HG22      ILE 120   3.653   7.887   1.082
  729   3HG2  ILE 120          HG23      ILE 120   2.772   9.378   1.407
  730   1HD1  ILE 120          HD11      ILE 120   2.237   5.144   2.114
  731   2HD1  ILE 120          HD12      ILE 120   3.795   5.721   1.523
  732   3HD1  ILE 120          HD13      ILE 120   3.727   4.580   2.867
  733    H    SER 121           HN       SER 121   1.996  10.611   2.281
  734    HA   SER 121           HA       SER 121  -0.291  11.972   3.372
  735   1HB   SER 121          HB2       SER 121   1.799  13.049   2.376
  736   2HB   SER 121          HB3       SER 121   1.142  12.618   0.799
  737    HG   SER 121           HG       SER 121   0.075  14.408   0.942
  738    H    LEU 122           HN       LEU 122  -1.220   9.524   2.627
  739    HA   LEU 122           HA       LEU 122  -2.743  10.107   0.176
  740   1HB   LEU 122          HB2       LEU 122  -2.006   7.434   1.342
  741   2HB   LEU 122          HB3       LEU 122  -3.140   7.660   0.027
  742    HG   LEU 122           HG       LEU 122  -1.098   8.839  -1.126
  743   1HD1  LEU 122          HD11      LEU 122   0.359   8.735   0.832
  744   2HD1  LEU 122          HD12      LEU 122   0.231   6.974   0.831
  745   3HD1  LEU 122          HD13      LEU 122   1.016   7.800  -0.513
  746   1HD2  LEU 122          HD21      LEU 122  -1.169   5.843  -0.834
  747   2HD2  LEU 122          HD22      LEU 122  -2.342   6.765  -1.778
  748   3HD2  LEU 122          HD23      LEU 122  -0.638   6.789  -2.225
  749    H    ALA 123           HN       ALA 123  -4.781  10.553   0.529
  750    HA   ALA 123           HA       ALA 123  -6.633   8.755   1.312
  751   1HB   ALA 123          HB1       ALA 123  -5.824   8.832   3.612
  752   2HB   ALA 123          HB2       ALA 123  -6.112  10.575   3.669
  753   3HB   ALA 123          HB3       ALA 123  -7.470   9.458   3.504
  754    H    GLY 124           HN       GLY 124  -6.013  11.021  -0.404
  755   1HA   GLY 124          HA1       GLY 124  -8.435  12.196  -0.908
  756   2HA   GLY 124          HA2       GLY 124  -7.668  13.248   0.274
  757    H    SER 125           HN       SER 125  -6.717  11.473  -2.645
  758    HA   SER 125           HA       SER 125  -5.004  13.737  -3.353
  759   1HB   SER 125          HB2       SER 125  -4.946  10.876  -4.352
  760   2HB   SER 125          HB3       SER 125  -3.783  12.139  -4.759
  761    HG   SER 125           HG       SER 125  -3.230  10.604  -2.983