*HEADER    STRUCTURAL PROTEIN                      07-JUL-08   2K6A              
*TITLE     SOLUTION STRUCTURE OF EAS D15 TRUNCATION MUTANT                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYDROPHOBIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RODLET PROTEIN, CLOCK-CONTROLLED GENE PROTEIN 2,            
*COMPND   5 BLUE LIGHT-INDUCED PROTEIN 7;                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NEUROSPORA CRASSA;                              
*SOURCE   3 GENE: EAS, BLI-7, CCG-2;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PHUE                                      
*KEYWDS    HYDROPHOBIN, EAS, RODLETS, ASSEMBLY, AMYLOID, CELL WALL,              
*KEYWDS   2 CELL WALL BIOGENESIS/DEGRADATION, SECRETED, STRUCTURAL               
*KEYWDS   3 PROTEIN                                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.H.KWAN                                                              
*REVDAT   1   19-AUG-08 2K6A    0                                                


 ASSI {    1}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     5.000     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.720 ppm2      9.907 CV     1
 ASSI {    2}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      4.400     2.900     1.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.56861E-03 ppm1      2.841 ppm2      9.907 CV     1
 ASSI {    3}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     1.300     1.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.58033E-02 ppm1      2.731 ppm2      9.907 CV     1
 ASSI {    4}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.700     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.34292E-02 ppm1      5.720 ppm2      2.730 CV     1
 ASSI {    5}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.600     1.300     1.300 peak     5 spectrum    1 weight  0.10000E+01 volume  0.60671E-02 ppm1      5.720 ppm2      2.836 CV     1
 ASSI {    6}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.800     1.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.17146E-02 ppm1      2.608 ppm2      9.616 CV     1
 ASSI {    7}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.800     1.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.37517E-02 ppm1      3.048 ppm2      9.617 CV     1
 ASSI {    8}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.800     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.14801E-02 ppm1      5.752 ppm2      9.615 CV     1
 ASSI {    9}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.800     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.23594E-01 ppm1      3.048 ppm2      2.603 CV     1
 ASSI {   10}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     1.400     1.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.62283E-02 ppm1      5.752 ppm2      2.603 CV     1
 ASSI {   11}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.900     1.600     1.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.28870E-02 ppm1      5.752 ppm2      3.046 CV     1
 ASSI {   12}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.600     1.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.29456E-02 ppm1      4.714 ppm2      9.532 CV     1
 ASSI {   13}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     2.000     2.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.23154E-02 ppm1      2.793 ppm2      9.532 CV     1
 ASSI {   14}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     1.400     1.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.48947E-02 ppm1      2.626 ppm2      9.533 CV     1
 ASSI {   15}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     1.400     1.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.72837E-02 ppm1      4.715 ppm2      2.625 CV     1
 ASSI {   16}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.500     1.300     1.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.67266E-02 ppm1      4.715 ppm2      2.793 CV     1
 ASSI {   17}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     1.400     1.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.53197E-02 ppm1      4.426 ppm2      9.465 CV     1
 ASSI {   18}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.91740E-02 ppm1      3.744 ppm2      9.465 CV     1
 ASSI {   19}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HA1 ))
      1.800     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.23888E-01 ppm1      4.419 ppm2      3.744 CV     1
 ASSI {   20}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     1.400     1.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.49240E-02 ppm1      2.621 ppm2      9.182 CV     1
 ASSI {   21}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      3.800     2.300     2.200 peak    21 spectrum    1 weight  0.10000E+01 volume  0.13556E-02 ppm1      2.884 ppm2      9.183 CV     1
 ASSI {   22}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.500     1.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.39128E-02 ppm1      5.697 ppm2      9.187 CV     1
 ASSI {   23}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     5.000     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.885 ppm2      2.613 CV     1
 ASSI {   24}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.800     1.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.28723E-02 ppm1      5.686 ppm2      2.613 CV     1
 ASSI {   25}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.600     1.300     1.300 peak    25 spectrum    1 weight  0.10000E+01 volume  0.60671E-02 ppm1      5.686 ppm2      2.886 CV     1
 ASSI {   26}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     1.400     1.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.46896E-02 ppm1      5.443 ppm2      9.128 CV     1
 ASSI {   27}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.500     1.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.53197E-02 ppm1      3.113 ppm2      9.134 CV     1
 ASSI {   28}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.500     1.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.46455E-02 ppm1      2.808 ppm2      9.128 CV     1
 ASSI {   29}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.600     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.47189E-01 ppm1      3.111 ppm2      2.807 CV     1
 ASSI {   30}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.900     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.38395E-02 ppm1      5.442 ppm2      3.110 CV     1
 ASSI {   31}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.66240E-02 ppm1      5.440 ppm2      2.806 CV     1
 ASSI {   32}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HB2 ))
      6.000     5.000     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.934 ppm2      2.798 CV     1
 ASSI {   33}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.700     1.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.23594E-02 ppm1      5.567 ppm2      9.095 CV     1
 ASSI {   34}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.70493E-02 ppm1      2.935 ppm2      9.090 CV     1
 ASSI {   35}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     2.100     2.100 peak    35 spectrum    1 weight  0.10000E+01 volume  0.10156E-02 ppm1      2.800 ppm2      9.090 CV     1
 ASSI {   36}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.000     1.600     1.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.32826E-02 ppm1      5.564 ppm2      2.935 CV     1
 ASSI {   37}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.800     1.500     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.48068E-02 ppm1      5.564 ppm2      2.799 CV     1
 ASSI {   38}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.700     1.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.21103E-02 ppm1      4.908 ppm2      9.120 CV     1
 ASSI {   39}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     1.400     1.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.66533E-02 ppm1      2.627 ppm2      9.055 CV     1
 ASSI {   40}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.600     1.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.34732E-02 ppm1      3.005 ppm2      9.053 CV     1
 ASSI {   41}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.700     1.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.26525E-02 ppm1      5.079 ppm2      9.055 CV     1
 ASSI {   42}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.800     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.23594E-01 ppm1      3.008 ppm2      2.623 CV     1
 ASSI {   43}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      2.700     1.400     1.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.76056E-02 ppm1      5.078 ppm2      3.008 CV     1
 ASSI {   44}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.500     1.500 peak    44 spectrum    1 weight  0.10000E+01 volume  0.39275E-02 ppm1      5.078 ppm2      2.621 CV     1
 ASSI {   45}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.600     2.100     2.100 peak    45 spectrum    1 weight  0.10000E+01 volume  0.99947E-03 ppm1      4.807 ppm2      9.104 CV     1
 ASSI {   46}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.800     1.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.21103E-02 ppm1      2.454 ppm2      9.102 CV     1
 OR {   46}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {   47}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.800     2.300     2.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.96578E-03 ppm1      2.183 ppm2      9.101 CV     1
 ASSI {   48}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.600     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.67119E-03 ppm1      2.075 ppm2      9.099 CV     1
 ASSI {   49}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.500     1.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.45577E-02 ppm1      4.408 ppm2      9.120 CV     1
 ASSI {   50}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     1.300     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.92621E-02 ppm1      3.590 ppm2      9.120 CV     1
 ASSI {   51}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 37   and name HA1 ))
      1.700     0.900     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.36198E-01 ppm1      4.408 ppm2      3.588 CV     1
 ASSI {   52}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.000     1.600     1.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.26379E-02 ppm1      4.482 ppm2      8.949 CV     1
 ASSI {   53}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HN  ))
      3.500     2.000     2.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      1.542 ppm2      8.949 CV     1
 ASSI {   54}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      3.600     2.200     2.200 peak    54 spectrum    1 weight  0.10000E+01 volume  0.15241E-02 ppm1      1.320 ppm2      8.949 CV     1
 ASSI {   55}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      3.300     1.900     1.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      1.280 ppm2      8.947 CV     1
 ASSI {   56}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.35025E-02 ppm1      4.197 ppm2      8.956 CV     1
 ASSI {   57}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     5.000     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.690 ppm2      8.957 CV     1
 ASSI {   58}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 61   and name HN  ))
      3.700     2.200     2.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.12676E-02 ppm1      0.602 ppm2      8.956 CV     1
 ASSI {   59}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      2.600     1.400     1.400 peak    59 spectrum    1 weight  0.10000E+01 volume  0.74450E-02 ppm1      0.900 ppm2      8.900 CV     1
 ASSI {   60}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
      3.500     2.000     2.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.21543E-02 ppm1      0.827 ppm2      8.900 CV     1
 ASSI {   61}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.64041E-02 ppm1      2.042 ppm2      8.901 CV     1
 ASSI {   62}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.600     1.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.39861E-02 ppm1      4.106 ppm2      8.817 CV     1
 ASSI {   63}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.600     1.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      3.832 ppm2      8.816 CV     1
 ASSI {   64}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     5.000     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.486 ppm2      8.687 CV     1
 ASSI {   65}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.600     1.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.60378E-03 ppm1      0.997 ppm2      8.730 CV     1
 ASSI {   66}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.700     1.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.33853E-02 ppm1      0.826 ppm2      8.730 CV     1
 ASSI {   67}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     1.300     1.300 peak    67 spectrum    1 weight  0.10000E+01 volume  0.91740E-02 ppm1      1.914 ppm2      8.730 CV     1
 ASSI {   68}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.500     1.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.36344E-02 ppm1      3.465 ppm2      8.731 CV     1
 ASSI {   69}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     5.000     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.438 ppm2      8.702 CV     1
 ASSI {   70}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.36198E-02 ppm1      4.241 ppm2      7.465 CV     1
 ASSI {   71}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.500     2.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.90564E-03 ppm1      0.554 ppm2      7.463 CV     1
 ASSI {   72}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.900     2.400     2.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.16560E-02 ppm1      0.916 ppm2      7.463 CV     1
 ASSI {   73}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     1.400     1.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.44258E-02 ppm1      1.400 ppm2      7.461 CV     1
 ASSI {   74}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.600     1.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.32241E-02 ppm1      4.678 ppm2      7.876 CV     1
 ASSI {   75}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     2.300     2.200 peak    75 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      3.905 ppm2      7.874 CV     1
 ASSI {   76}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.600     1.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.27844E-02 ppm1      3.726 ppm2      7.875 CV     1
 ASSI {   77}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.600     1.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.32387E-02 ppm1      3.823 ppm2      7.647 CV     1
 ASSI {   78}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     1.200     1.200 peak    78 spectrum    1 weight  0.10000E+01 volume  0.13438E-01 ppm1      3.981 ppm2      7.645 CV     1
 ASSI {   79}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      3.500     2.000     2.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.19051E-02 ppm1      1.269 ppm2      7.645 CV     1
 ASSI {   80}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     1.400     1.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.57887E-02 ppm1      3.997 ppm2      7.804 CV     1
 ASSI {   81}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     1.300     1.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.84851E-02 ppm1      1.896 ppm2      7.807 CV     1
 ASSI {   82}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      2.500     1.300     1.300 peak    82 spectrum    1 weight  0.10000E+01 volume  0.92033E-02 ppm1      0.930 ppm2      7.805 CV     1
 OR {   82}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {   83}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.800     1.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.41620E-02 ppm1      3.007 ppm2      7.711 CV     1
 ASSI {   84}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     2.100     2.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.84557E-03 ppm1      2.939 ppm2      7.711 CV     1
 ASSI {   85}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      4.578 ppm2      8.008 CV     1
 ASSI {   86}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     2.000     2.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.11489E-02 ppm1      4.193 ppm2      8.131 CV     1
 ASSI {   87}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.500     1.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.53050E-02 ppm1      1.345 ppm2      8.171 CV     1
 ASSI {   88}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      3.600     2.200     2.200 peak    88 spectrum    1 weight  0.10000E+01 volume  0.17586E-02 ppm1      0.768 ppm2      8.173 CV     1
 ASSI {   89}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.36344E-02 ppm1      4.358 ppm2      8.173 CV     1
 ASSI {   90}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 54   and name HN  ))
      5.100     3.700     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.29016E-03 ppm1      1.214 ppm2      8.175 CV     1
 ASSI {   91}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.900     2.400     2.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.56421E-03 ppm1      4.476 ppm2      8.212 CV     1
 ASSI {   92}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.800     1.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.18758E-02 ppm1      4.559 ppm2      8.234 CV     1
 ASSI {   93}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.700     1.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.30482E-02 ppm1      3.277 ppm2      8.257 CV     1
 ASSI {   94}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     1.400     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.63895E-02 ppm1      2.886 ppm2      8.257 CV     1
 ASSI {   95}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.700     1.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.22275E-02 ppm1      4.922 ppm2      8.255 CV     1
 ASSI {   96}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.800     1.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.26965E-02 ppm1      2.236 ppm2      8.397 CV     1
 ASSI {   97}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.500     1.500 peak    97 spectrum    1 weight  0.10000E+01 volume  0.32241E-02 ppm1      4.946 ppm2      8.397 CV     1
 ASSI {   98}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.600     1.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.43671E-02 ppm1      2.455 ppm2      8.428 CV     1
 ASSI {   99}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      3.800     2.300     2.200 peak    99 spectrum    1 weight  0.10000E+01 volume  0.89689E-03 ppm1      2.617 ppm2      8.428 CV     1
 ASSI {  100}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     1.300     1.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.66972E-02 ppm1      4.569 ppm2      8.427 CV     1
 ASSI {  101}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.900     2.400     2.100 peak   101 spectrum    1 weight  0.10000E+01 volume  0.64481E-03 ppm1      4.268 ppm2      8.411 CV     1
 ASSI {  102}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.600     1.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.31068E-02 ppm1      1.384 ppm2      8.411 CV     1
 ASSI {  103}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.700     1.700 peak   103 spectrum    1 weight  0.10000E+01 volume  0.23447E-02 ppm1      1.112 ppm2      8.395 CV     1
 ASSI {  104}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.700     1.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.46749E-02 ppm1      1.007 ppm2      8.396 CV     1
 ASSI {  105}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.000     1.600     1.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.32241E-02 ppm1      4.403 ppm2      8.376 CV     1
 ASSI {  106}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.41327E-02 ppm1      4.398 ppm2      8.541 CV     1
 ASSI {  107}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     2.200     2.200 peak   107 spectrum    1 weight  0.10000E+01 volume  0.15534E-02 ppm1      2.903 ppm2      8.542 CV     1
 ASSI {  108}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.900     1.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.10991E-02 ppm1      2.776 ppm2      8.542 CV     1
 ASSI {  109}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.600     1.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.30189E-02 ppm1      4.111 ppm2      8.540 CV     1
 ASSI {  110}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.400     2.000     2.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.16706E-02 ppm1      0.814 ppm2      8.541 CV     1
 ASSI {  111}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      2.600     1.400     1.400 peak   111 spectrum    1 weight  0.10000E+01 volume  0.86464E-02 ppm1      0.672 ppm2      8.542 CV     1
 ASSI {  112}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     5.000     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.087 ppm2      8.495 CV     1
 ASSI {  113}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     1.400     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.62869E-02 ppm1      3.897 ppm2      8.496 CV     1
 ASSI {  114}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.800     1.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.18758E-02 ppm1      4.827 ppm2      8.469 CV     1
 ASSI {  115}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     1.300     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.77668E-02 ppm1      3.751 ppm2      8.471 CV     1
 OR {  115}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  116}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.20663E-02 ppm1      1.785 ppm2      8.498 CV     1
 ASSI {  117}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     1.400     1.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.69461E-02 ppm1      1.947 ppm2      8.498 CV     1
 ASSI {  118}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HN  ))
      4.000     2.500     2.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.88514E-03 ppm1      2.224 ppm2      8.501 CV     1
 ASSI {  119}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HN  ))
      3.500     2.000     2.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.18465E-02 ppm1      2.311 ppm2      8.500 CV     1
 ASSI {  120}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.800     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.18758E-02 ppm1      4.879 ppm2      8.499 CV     1
 ASSI {  121}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.700     1.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.25060E-02 ppm1      4.565 ppm2      8.564 CV     1
 ASSI {  122}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      2.600     1.300     1.300 peak   122 spectrum    1 weight  0.10000E+01 volume  0.86901E-02 ppm1      1.461 ppm2      8.563 CV     1
 ASSI {  123}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.100     1.700     1.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.26085E-02 ppm1      4.844 ppm2      8.327 CV     1
 ASSI {  124}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     2.200     2.200 peak   124 spectrum    1 weight  0.10000E+01 volume  0.12471E-02 ppm1      2.896 ppm2      8.330 CV     1
 ASSI {  125}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.900     1.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.16413E-02 ppm1      2.792 ppm2      8.328 CV     1
 ASSI {  126}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.800     2.300     2.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16706E-02 ppm1      2.705 ppm2      8.330 CV     1
 ASSI {  127}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.000     1.600     1.600 peak   127 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      2.596 ppm2      8.331 CV     1
 ASSI {  128}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.500     1.500 peak   128 spectrum    1 weight  0.10000E+01 volume  0.48361E-02 ppm1      4.697 ppm2      8.326 CV     1
 ASSI {  129}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      3.400     2.000     2.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.27551E-02 ppm1      3.709 ppm2      8.179 CV     1
 ASSI {  130}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.400     1.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.48215E-02 ppm1      3.618 ppm2      8.179 CV     1
 ASSI {  131}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.600     1.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.29310E-02 ppm1      4.308 ppm2      8.317 CV     1
 ASSI {  132}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.800     2.300     2.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.12647E-02 ppm1      1.208 ppm2      8.319 CV     1
 ASSI {  133}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      4.600     3.100     1.400 peak   133 spectrum    1 weight  0.10000E+01 volume  0.20224E-03 ppm1      4.169 ppm2      8.344 CV     1
 ASSI {  134}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.500     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.42059E-02 ppm1      1.440 ppm2      8.346 CV     1
 ASSI {  135}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.500     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.33120E-02 ppm1      1.078 ppm2      8.346 CV     1
 ASSI {  136}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.600     1.600 peak   136 spectrum    1 weight  0.10000E+01 volume  0.46162E-02 ppm1      2.811 ppm2      8.721 CV     1
 ASSI {  137}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     1.400     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.45430E-02 ppm1      2.730 ppm2      8.720 CV     1
 ASSI {  138}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     1.200     1.200 peak   138 spectrum    1 weight  0.10000E+01 volume  0.13527E-01 ppm1      4.280 ppm2      8.587 CV     1
 ASSI {  139}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      8.586 CV     1
 OR {  139}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  140}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      4.000     2.500     2.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.10009E-02 ppm1      1.200 ppm2      8.210 CV     1
 ASSI {  141}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     5.000     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.503 ppm2      8.586 CV     1
 ASSI {  142}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     2.000     2.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.19198E-02 ppm1      3.936 ppm2      8.586 CV     1
 ASSI {  143}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     5.000     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.837 ppm2      8.585 CV     1
 ASSI {  144}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     5.000     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.925 ppm2      8.375 CV     1
 OR {  144}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  145}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.000     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.712 ppm2      8.631 CV     1
 ASSI {  146}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.700     1.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.25060E-02 ppm1      4.899 ppm2      8.612 CV     1
 ASSI {  147}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     1.200     1.200 peak   147 spectrum    1 weight  0.10000E+01 volume  0.90421E-02 ppm1      4.842 ppm2      8.694 CV     1
 ASSI {  148}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     2.100     2.100 peak   148 spectrum    1 weight  0.10000E+01 volume  0.11562E-02 ppm1      4.961 ppm2      8.623 CV     1
 ASSI {  149}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.600     1.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.30482E-02 ppm1      4.613 ppm2      8.737 CV     1
 ASSI {  150}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.600     1.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.24181E-02 ppm1      5.677 ppm2      7.708 CV     1
 ASSI {  151}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.000     1.700     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.27844E-02 ppm1      4.964 ppm2      7.914 CV     1
 ASSI {  152}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     1.400     1.400 peak   152 spectrum    1 weight  0.10000E+01 volume  0.71367E-02 ppm1      2.975 ppm2      7.913 CV     1
 OR {  152}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  153}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.800     1.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.27991E-02 ppm1      3.890 ppm2      8.687 CV     1
 OR {  153}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  154}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     2.200     2.200 peak   154 spectrum    1 weight  0.10000E+01 volume  0.13643E-02 ppm1      1.784 ppm2      9.055 CV     1
 ASSI {  155}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     2.200     2.200 peak   155 spectrum    1 weight  0.10000E+01 volume  0.86313E-03 ppm1      1.947 ppm2      9.055 CV     1
 ASSI {  156}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     1.200     1.200 peak   156 spectrum    1 weight  0.10000E+01 volume  0.10581E-01 ppm1      4.879 ppm2      9.056 CV     1
 ASSI {  157}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.400     2.900     1.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.36490E-03 ppm1      9.054 ppm2      8.500 CV     1
 ASSI {  158}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.300     1.200     1.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.13116E-01 ppm1      5.080 ppm2      9.464 CV     1
 ASSI {  159}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.800     2.300     2.200 peak   159 spectrum    1 weight  0.10000E+01 volume  0.73862E-03 ppm1      3.005 ppm2      9.464 CV     1
 ASSI {  160}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.700     3.200     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.35904E-03 ppm1      2.627 ppm2      9.465 CV     1
 ASSI {  161}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.800     3.300     1.200 peak   161 spectrum    1 weight  0.10000E+01 volume  0.30042E-03 ppm1      9.465 ppm2      9.053 CV     1
 ASSI {  162}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.900     1.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.19051E-02 ppm1      4.426 ppm2      7.209 CV     1
 ASSI {  163}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.800     1.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.26672E-02 ppm1      3.744 ppm2      7.211 CV     1
 ASSI {  164}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     1.400     1.400 peak   164 spectrum    1 weight  0.10000E+01 volume  0.50412E-02 ppm1      7.211 ppm2      9.464 CV     1
 ASSI {  165}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 42   and name HN  ))
      2.600     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.81331E-02 ppm1      1.405 ppm2      7.211 CV     1
 ASSI {  166}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.800     1.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.19051E-02 ppm1      4.738 ppm2      7.209 CV     1
 ASSI {  167}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      2.600     1.300     1.300 peak   167 spectrum    1 weight  0.10000E+01 volume  0.71518E-02 ppm1      4.738 ppm2      1.405 CV     1
 ASSI {  168}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      2.400     1.200     1.200 peak   168 spectrum    1 weight  0.10000E+01 volume  0.10566E-01 ppm1      1.405 ppm2      8.471 CV     1
 ASSI {  169}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      4.500     3.000     1.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.38689E-03 ppm1      4.739 ppm2      8.471 CV     1
 ASSI {  171}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.600     1.300     1.300 peak   171 spectrum    1 weight  0.10000E+01 volume  0.75475E-02 ppm1      4.828 ppm2      3.754 CV     1
 OR {  171}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI {  172}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.300     1.200     1.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.12838E-01 ppm1      4.830 ppm2      8.901 CV     1
 ASSI {  173}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name HN  ))
      3.100     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.35464E-02 ppm1      3.750 ppm2      8.901 CV     1
 OR {  173}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  174}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      5.000     3.700     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.18319E-03 ppm1      8.475 ppm2      8.901 CV     1
 ASSI {  175}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG1%)
      2.400     1.200     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.10434E-01 ppm1      2.044 ppm2      0.829 CV     1
 ASSI {  176}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      2.400     1.200     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10581E-01 ppm1      2.043 ppm2      0.897 CV     1
 ASSI {  177}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      2.900     1.500     1.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.39568E-02 ppm1      4.723 ppm2      0.829 CV     1
 ASSI {  178}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      2.700     1.400     1.400 peak   178 spectrum    1 weight  0.10000E+01 volume  0.58912E-02 ppm1      4.723 ppm2      0.898 CV     1
 ASSI {  179}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      6.000     5.000     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.723 ppm2      2.043 CV     1
 ASSI {  180}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.600     2.200     2.200 peak   180 spectrum    1 weight  0.10000E+01 volume  0.82944E-03 ppm1      4.723 ppm2      8.900 CV     1
 ASSI {  181}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     1.300     1.300 peak   181 spectrum    1 weight  0.10000E+01 volume  0.79869E-02 ppm1      4.723 ppm2      9.124 CV     1
 ASSI {  182}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.800     1.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.32241E-02 ppm1      2.041 ppm2      9.124 CV     1
 ASSI {  183}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      6.000     5.000     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.900 ppm2      9.124 CV     1
 ASSI {  184}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HN  ))
      6.000     5.000     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.830 ppm2      9.120 CV     1
 ASSI {  185}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.600     1.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.33853E-02 ppm1      1.747 ppm2      9.122 CV     1
 OR {  185}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  186}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.700     2.200     2.200 peak   186 spectrum    1 weight  0.10000E+01 volume  0.10068E-02 ppm1      1.249 ppm2      9.120 CV     1
 OR {  186}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  187}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 45   and name HN  ))
      5.000     3.600     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.27258E-03 ppm1      1.592 ppm2      9.119 CV     1
 OR {  187}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  188}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG3 ))
      2.100     1.100     1.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.20224E-01 ppm1      1.747 ppm2      1.243 CV     1
 OR {  188}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {  188}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG3 ))
 OR {  188}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  189}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     5.000     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      1.245 CV     1
 OR {  189}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 45   and name HG3 ))
 OR {  189}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {  189}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {  190}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HD3 ))
      6.000     5.000     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      1.598 CV     1
 OR {  190}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HD2 ))
 OR {  190}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HD2 ))
 OR {  190}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HD3 ))
 ASSI {  191}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HG3 ))
      3.300     1.900     1.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.18905E-02 ppm1      2.930 ppm2      1.246 CV     1
 OR {  191}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HG3 ))
 OR {  191}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {  191}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  192}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HD3 ))
      3.100     1.700     1.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.21103E-02 ppm1      2.931 ppm2      1.596 CV     1
 OR {  192}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HD2 ))
 OR {  192}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HD3 ))
 OR {  192}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HD2 ))
 ASSI {  193}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.700     1.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.39128E-02 ppm1      2.928 ppm2      1.750 CV     1
 OR {  193}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  193}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  193}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  194}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     1.200     1.200 peak   194 spectrum    1 weight  0.10000E+01 volume  0.10581E-01 ppm1      4.908 ppm2      9.091 CV     1
 ASSI {  195}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     2.100     2.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.11137E-02 ppm1      1.745 ppm2      9.091 CV     1
 OR {  195}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  196}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 46   and name HN  ))
      5.100     3.700     0.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.27258E-03 ppm1      1.592 ppm2      9.093 CV     1
 OR {  196}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  197}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      4.700     3.300     1.300 peak   197 spectrum    1 weight  0.10000E+01 volume  0.40594E-03 ppm1      1.248 ppm2      9.091 CV     1
 OR {  197}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  198}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.300     1.100     1.100 peak   198 spectrum    1 weight  0.10000E+01 volume  0.14801E-01 ppm1      5.567 ppm2      9.616 CV     1
 ASSI {  199}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     2.400     2.100 peak   199 spectrum    1 weight  0.10000E+01 volume  0.59938E-03 ppm1      2.935 ppm2      9.618 CV     1
 ASSI {  200}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     2.400     2.100 peak   200 spectrum    1 weight  0.10000E+01 volume  0.15094E-02 ppm1      2.800 ppm2      9.616 CV     1
 ASSI {  201}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.800     3.300     1.200 peak   201 spectrum    1 weight  0.10000E+01 volume  0.22422E-03 ppm1      9.092 ppm2      9.616 CV     1
 ASSI {  202}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.700     1.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.15827E-02 ppm1      3.047 ppm2      8.347 CV     1
 ASSI {  203}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.600     2.100     2.100 peak   203 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      2.609 ppm2      8.345 CV     1
 ASSI {  204}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.500     1.300     1.300 peak   204 spectrum    1 weight  0.10000E+01 volume  0.82069E-02 ppm1      5.754 ppm2      8.347 CV     1
 ASSI {  205}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.800     3.300     1.200 peak   205 spectrum    1 weight  0.10000E+01 volume  0.28430E-03 ppm1      8.343 ppm2      9.613 CV     1
 ASSI {  206}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
      1.300     0.700     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.97603E-01 ppm1      1.444 ppm2      1.075 CV     1
 ASSI {  207}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HD3 ))
      2.800     1.500     1.500 peak   207 spectrum    1 weight  0.10000E+01 volume  0.34585E-02 ppm1      2.840 ppm2      1.437 CV     1
 OR {  207}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HD2 ))
 ASSI {  208}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HB2 ))
      3.500     2.100     2.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.25646E-02 ppm1      2.840 ppm2      1.076 CV     1
 ASSI {  209}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.700     2.200     2.200 peak   209 spectrum    1 weight  0.10000E+01 volume  0.16267E-02 ppm1      1.078 ppm2      8.428 CV     1
 ASSI {  210}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      3.400     2.000     2.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.12530E-02 ppm1      1.439 ppm2      8.428 CV     1
 ASSI {  211}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     1.500     1.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.42792E-02 ppm1      4.170 ppm2      8.428 CV     1
 ASSI {  212}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     5.000     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.705 ppm2      2.595 CV     1
 ASSI {  213}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.700     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.72837E-02 ppm1      4.698 ppm2      2.595 CV     1
 ASSI {  214}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.000     1.700     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.29310E-02 ppm1      4.698 ppm2      2.705 CV     1
 ASSI {  215}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.10112E-01 ppm1      4.698 ppm2      8.130 CV     1
 ASSI {  216}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.705 ppm2      8.130 CV     1
 ASSI {  217}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.200     2.700     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.80894E-03 ppm1      2.596 ppm2      8.130 CV     1
 ASSI {  218}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.330 ppm2      8.134 CV     1
 ASSI {  219}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
      2.700     1.400     1.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.79432E-02 ppm1      0.925 ppm2      8.130 CV     1
 OR {  219}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  220}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
      3.600     2.100     2.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.10845E-02 ppm1      2.187 ppm2      8.130 CV     1
 ASSI {  221}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG2%)
      2.200     1.100     1.100 peak   221 spectrum    1 weight  0.10000E+01 volume  0.17146E-01 ppm1      2.187 ppm2      0.921 CV     1
 OR {  221}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG1%)
 ASSI {  222}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG1%)
      6.000     5.000     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.193 ppm2      0.919 CV     1
 OR {  222}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI {  223}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB  ))
      2.700     1.400     1.400 peak   223 spectrum    1 weight  0.10000E+01 volume  0.61550E-02 ppm1      4.191 ppm2      2.185 CV     1
 ASSI {  224}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.100     2.700     1.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.40301E-03 ppm1      4.196 ppm2      8.318 CV     1
 ASSI {  225}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.900     1.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.20810E-02 ppm1      2.185 ppm2      8.316 CV     1
 ASSI {  226}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.500     1.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.55102E-02 ppm1      0.927 ppm2      8.319 CV     1
 OR {  226}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  227}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.129 ppm2      8.319 CV     1
 ASSI {  228}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
      6.000     5.000     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      4.305 CV     1
 ASSI {  229}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      6.000     5.000     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      1.206 CV     1
 ASSI {  230}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 52   and name HG2%)
      2.400     1.200     1.200 peak   230 spectrum    1 weight  0.10000E+01 volume  0.10053E-01 ppm1      4.213 ppm2      1.210 CV     1
 ASSI {  231}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.600     1.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.29310E-02 ppm1      4.308 ppm2      8.330 CV     1
 ASSI {  232}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     5.000     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      8.330 CV     1
 ASSI {  233}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      4.000     2.500     2.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.12647E-02 ppm1      1.207 ppm2      8.329 CV     1
 ASSI {  234}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HB2 ))
      6.000     5.000     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.897 ppm2      2.792 CV     1
 ASSI {  235}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     1.400     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.61110E-02 ppm1      4.841 ppm2      2.792 CV     1
 ASSI {  236}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      2.700     1.400     1.400 peak   236 spectrum    1 weight  0.10000E+01 volume  0.63016E-02 ppm1      4.842 ppm2      2.900 CV     1
 ASSI {  237}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HD21))
      3.500     2.100     2.100 peak   237 spectrum    1 weight  0.10000E+01 volume  0.11137E-02 ppm1      2.897 ppm2      7.715 CV     1
 ASSI {  238}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD21))
      3.100     1.700     1.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      2.792 ppm2      7.717 CV     1
 ASSI {  239}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD21))
      5.400     4.100     0.600 peak   239 spectrum    1 weight  0.10000E+01 volume  0.12501E-03 ppm1      4.844 ppm2      7.715 CV     1
 ASSI {  240}
   (( segid "    " and resid 53   and name HD22))
   (( segid "    " and resid 53   and name HD21))
      1.600     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.59206E-01 ppm1      6.917 ppm2      7.717 CV     1
 ASSI {  241}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD22))
      6.000     5.100     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.12501E-03 ppm1      4.844 ppm2      6.923 CV     1
 ASSI {  242}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HD22))
      6.000     6.000     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.66826E-04 ppm1      2.899 ppm2      6.925 CV     1
 ASSI {  243}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD22))
      5.200     3.900     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.35464E-03 ppm1      2.792 ppm2      6.923 CV     1
 ASSI {  244}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.600     1.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.37809E-02 ppm1      4.844 ppm2      8.174 CV     1
 ASSI {  245}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      3.600     2.100     2.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11885E-02 ppm1      2.894 ppm2      8.174 CV     1
 ASSI {  246}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     5.000     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.792 ppm2      8.176 CV     1
 ASSI {  247}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     5.000     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.174 ppm2      8.330 CV     1
 ASSI {  248}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     5.000     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      8.173 CV     1
 ASSI {  249}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.500     1.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.37076E-02 ppm1      4.358 ppm2      8.495 CV     1
 ASSI {  250}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     5.000     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      8.495 CV     1
 ASSI {  251}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 55   and name HN  ))
      3.900     2.400     2.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.94815E-03 ppm1      1.216 ppm2      8.495 CV     1
 ASSI {  252}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.900     1.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.21250E-02 ppm1      8.172 ppm2      8.496 CV     1
 ASSI {  253}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 55   and name HA1 ))
      2.000     1.000     1.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.13350E-01 ppm1      4.088 ppm2      3.896 CV     1
 ASSI {  254}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HE21))
      4.500     3.000     1.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.18025E-03 ppm1      2.224 ppm2      7.402 CV     1
 ASSI {  255}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE21))
      6.000     5.200     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.42499E-04 ppm1      2.311 ppm2      7.400 CV     1
 ASSI {  256}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HE21))
      6.000     5.000     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.878 ppm2      7.402 CV     1
 ASSI {  257}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HE21))
      1.700     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.42059E-01 ppm1      6.774 ppm2      7.402 CV     1
 ASSI {  258}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HE22))
      6.000     5.000     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.224 ppm2      6.773 CV     1
 ASSI {  259}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     5.000     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.448 ppm2      2.070 CV     1
 OR {  259}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  260}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HB3 ))
      3.100     1.700     1.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.26525E-02 ppm1      2.454 ppm2      2.181 CV     1
 OR {  260}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI {  261}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
      1.900     1.000     1.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.12501E-01 ppm1      2.185 ppm2      2.076 CV     1
 ASSI {  262}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.500     2.000     2.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.19051E-02 ppm1      4.806 ppm2      2.450 CV     1
 OR {  262}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  263}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.800     1.400     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.40594E-02 ppm1      4.807 ppm2      2.181 CV     1
 ASSI {  264}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.100     1.700     1.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.24034E-02 ppm1      4.807 ppm2      2.074 CV     1
 ASSI {  265}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.800     1.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.38102E-03 ppm1      9.104 ppm2      8.690 CV     1
 ASSI {  266}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      2.600     1.300     1.300 peak   266 spectrum    1 weight  0.10000E+01 volume  0.68730E-02 ppm1      2.788 ppm2      6.803 CV     1
 ASSI {  267}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
      4.700     3.200     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.73418E-03 ppm1      2.788 ppm2      6.592 CV     1
 ASSI {  268}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HD% )
      2.200     1.100     1.100 peak   268 spectrum    1 weight  0.10000E+01 volume  0.14948E-01 ppm1      2.626 ppm2      6.805 CV     1
 ASSI {  269}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
      3.700     2.200     2.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.32826E-02 ppm1      2.622 ppm2      6.590 CV     1
 ASSI {  270}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.700     3.200     1.300 peak   270 spectrum    1 weight  0.10000E+01 volume  0.62722E-03 ppm1      4.715 ppm2      6.592 CV     1
 ASSI {  271}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 18   and name HD% )
      2.000     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.25939E-01 ppm1      6.593 ppm2      6.801 CV     1
 ASSI {  272}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.36051E-02 ppm1      6.800 ppm2      9.533 CV     1
 ASSI {  273}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HN  ))
      5.300     4.000     0.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.24327E-03 ppm1      6.593 ppm2      9.533 CV     1
 ASSI {  274}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     5.000     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.788 ppm2      2.625 CV     1
 ASSI {  275}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.900     1.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.26672E-02 ppm1      2.624 ppm2      9.127 CV     1
 ASSI {  276}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     5.000     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.788 ppm2      9.127 CV     1
 ASSI {  277}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     1.300     1.300 peak   277 spectrum    1 weight  0.10000E+01 volume  0.79869E-02 ppm1      4.713 ppm2      9.127 CV     1
 ASSI {  278}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.000     1.600     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.57153E-02 ppm1      9.126 ppm2      9.533 CV     1
 ASSI {  279}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     1.100     1.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.18172E-01 ppm1      5.442 ppm2      9.906 CV     1
 ASSI {  280}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      5.000     3.600     1.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.32534E-03 ppm1      3.110 ppm2      9.906 CV     1
 ASSI {  281}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      4.800     3.300     1.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.56861E-03 ppm1      2.809 ppm2      9.906 CV     1
 ASSI {  282}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     2.200     2.200 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      9.128 ppm2      9.908 CV     1
 ASSI {  283}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.000     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.840 ppm2      2.728 CV     1
 ASSI {  284}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.000     2.500     2.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      9.102 ppm2      9.906 CV     1
 ASSI {  285}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.200     1.100     1.100 peak   285 spectrum    1 weight  0.10000E+01 volume  0.20224E-01 ppm1      5.720 ppm2      9.103 CV     1
 ASSI {  286}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     1.400     1.400 peak   286 spectrum    1 weight  0.10000E+01 volume  0.46455E-02 ppm1      2.840 ppm2      9.103 CV     1
 ASSI {  287}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.700     3.200     1.300 peak   287 spectrum    1 weight  0.10000E+01 volume  0.42059E-03 ppm1      2.729 ppm2      9.103 CV     1
 ASSI {  288}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.000     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.228 ppm2      9.533 CV     1
 OR {  288}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  289}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.600     1.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.18612E-02 ppm1      1.994 ppm2      9.535 CV     1
 ASSI {  290}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.700     1.400     1.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.38982E-02 ppm1      3.617 ppm2      2.225 CV     1
 OR {  290}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  291}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.500     1.300     1.300 peak   291 spectrum    1 weight  0.10000E+01 volume  0.62869E-02 ppm1      3.702 ppm2      2.227 CV     1
 OR {  291}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  292}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     5.000     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.619 ppm2      1.996 CV     1
 ASSI {  293}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     5.000     0.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.706 ppm2      1.996 CV     1
 ASSI {  294}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     5.000     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.615 ppm2      1.678 CV     1
 ASSI {  295}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     5.000     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.707 ppm2      1.674 CV     1
 ASSI {  297}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.300     1.900     1.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.96284E-03 ppm1      5.262 ppm2      1.996 CV     1
 ASSI {  298}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     1.700     1.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.34145E-02 ppm1      5.259 ppm2      1.672 CV     1
 ASSI {  299}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HD2 ))
      6.000     5.000     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.704 ppm2      3.617 CV     1
 ASSI {  300}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      4.300     2.800     1.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.56421E-03 ppm1      5.261 ppm2      3.618 CV     1
 ASSI {  301}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
      4.400     2.900     1.600 peak   301 spectrum    1 weight  0.10000E+01 volume  0.34585E-03 ppm1      5.259 ppm2      3.705 CV     1
 ASSI {  302}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.100     1.100     1.100 peak   302 spectrum    1 weight  0.10000E+01 volume  0.19198E-01 ppm1      5.261 ppm2      9.531 CV     1
 ASSI {  303}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.700     1.400     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.50266E-02 ppm1      4.485 ppm2      3.879 CV     1
 OR {  303}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  304}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     1.300     1.300 peak   304 spectrum    1 weight  0.10000E+01 volume  0.90421E-02 ppm1      4.800 ppm2      8.689 CV     1
 ASSI {  305}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.500     2.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.55688E-03 ppm1      2.076 ppm2      8.689 CV     1
 ASSI {  306}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.700     1.700 peak   306 spectrum    1 weight  0.10000E+01 volume  0.41327E-02 ppm1      2.185 ppm2      8.689 CV     1
 ASSI {  307}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     2.200     2.200 peak   307 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      2.453 ppm2      8.691 CV     1
 OR {  307}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  308}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.000     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.485 ppm2      8.628 CV     1
 ASSI {  309}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.000     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      8.630 CV     1
 OR {  309}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  310}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     2.000     2.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.18758E-02 ppm1      2.463 ppm2      8.630 CV     1
 OR {  310}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  311}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      4.700     3.300     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.39861E-03 ppm1      2.061 ppm2      8.630 CV     1
 ASSI {  312}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     1.300     1.300 peak   312 spectrum    1 weight  0.10000E+01 volume  0.53343E-02 ppm1      1.894 ppm2      8.630 CV     1
 ASSI {  313}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
      1.600     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.36783E-01 ppm1      2.063 ppm2      1.894 CV     1
 ASSI {  314}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     1.400     1.400 peak   314 spectrum    1 weight  0.10000E+01 volume  0.55688E-02 ppm1      2.466 ppm2      1.890 CV     1
 OR {  314}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  315}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     5.000     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.463 ppm2      2.055 CV     1
 OR {  315}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  316}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG3 ))
      2.800     1.500     1.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.60231E-02 ppm1      4.711 ppm2      2.467 CV     1
 OR {  316}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI {  317}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     5.000     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.711 ppm2      2.060 CV     1
 ASSI {  318}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     1.400     1.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.71812E-02 ppm1      4.713 ppm2      8.589 CV     1
 ASSI {  319}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.900     3.500     1.100 peak   319 spectrum    1 weight  0.10000E+01 volume  0.33706E-03 ppm1      2.465 ppm2      8.589 CV     1
 OR {  319}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  320}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     2.300     2.200 peak   320 spectrum    1 weight  0.10000E+01 volume  0.70636E-03 ppm1      2.061 ppm2      8.587 CV     1
 ASSI {  321}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      4.400     3.000     1.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.31948E-03 ppm1      1.893 ppm2      8.589 CV     1
 ASSI {  322}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.900     1.500     1.500 peak   322 spectrum    1 weight  0.10000E+01 volume  0.40594E-02 ppm1      4.280 ppm2      3.865 CV     1
 OR {  322}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  323}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.300     2.800     1.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.33413E-03 ppm1      8.587 ppm2      8.816 CV     1
 ASSI {  324}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.12940E-01 ppm1      4.279 ppm2      8.817 CV     1
 ASSI {  325}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.700     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      3.864 ppm2      8.817 CV     1
 OR {  325}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  326}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 25   and name HA1 ))
      2.000     1.000     1.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.15974E-01 ppm1      4.107 ppm2      3.830 CV     1
 ASSI {  327}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.900     1.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.21982E-02 ppm1      3.832 ppm2      7.874 CV     1
 ASSI {  328}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.700     1.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.26085E-02 ppm1      4.106 ppm2      7.876 CV     1
 ASSI {  329}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.700     1.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.20663E-02 ppm1      7.877 ppm2      8.817 CV     1
 ASSI {  330}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.000     1.000     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.13717E-01 ppm1      3.908 ppm2      3.723 CV     1
 ASSI {  331}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.600     2.100     2.100 peak   331 spectrum    1 weight  0.10000E+01 volume  0.12501E-02 ppm1      4.678 ppm2      3.723 CV     1
 ASSI {  332}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.900     1.600     1.600 peak   332 spectrum    1 weight  0.10000E+01 volume  0.33560E-02 ppm1      4.678 ppm2      3.906 CV     1
 ASSI {  333}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     1.400     1.400 peak   333 spectrum    1 weight  0.10000E+01 volume  0.71812E-02 ppm1      4.678 ppm2      8.566 CV     1
 ASSI {  334}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.100     2.600     1.900 peak   334 spectrum    1 weight  0.10000E+01 volume  0.45430E-03 ppm1      7.875 ppm2      8.566 CV     1
 ASSI {  335}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     5.000     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.906 ppm2      8.566 CV     1
 ASSI {  336}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.700     2.200     2.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.98184E-03 ppm1      3.725 ppm2      8.566 CV     1
 ASSI {  337}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      2.400     1.200     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.12339E-01 ppm1      4.564 ppm2      1.462 CV     1
 ASSI {  338}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.800     1.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.24620E-02 ppm1      8.178 ppm2      8.562 CV     1
 ASSI {  339}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     2.000     2.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.12398E-02 ppm1      4.563 ppm2      8.180 CV     1
 ASSI {  340}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 28   and name HN  ))
      3.500     2.000     2.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.16560E-02 ppm1      1.465 ppm2      8.180 CV     1
 ASSI {  341}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      2.400     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.12061E-01 ppm1      4.836 ppm2      3.620 CV     1
 ASSI {  342}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
      2.500     1.300     1.300 peak   342 spectrum    1 weight  0.10000E+01 volume  0.58472E-02 ppm1      4.836 ppm2      3.710 CV     1
 ASSI {  343}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     2.000     2.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.17586E-02 ppm1      8.178 ppm2      8.957 CV     1
 ASSI {  344}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.300     1.200     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.12003E-01 ppm1      4.840 ppm2      8.956 CV     1
 ASSI {  345}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.700     1.700 peak   345 spectrum    1 weight  0.10000E+01 volume  0.26672E-02 ppm1      3.707 ppm2      8.957 CV     1
 ASSI {  346}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     2.000     2.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.14801E-02 ppm1      3.622 ppm2      8.957 CV     1
 ASSI {  347}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      3.800     2.300     2.200 peak   347 spectrum    1 weight  0.10000E+01 volume  0.12031E-02 ppm1     -0.016 ppm2      8.951 CV     1
 ASSI {  348}
   (( segid "    " and resid 61   and name HG12))
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.500     1.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.33560E-02 ppm1      0.598 ppm2     -0.015 CV     1
 ASSI {  349}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG12))
      2.800     1.500     1.500 peak   349 spectrum    1 weight  0.10000E+01 volume  0.56275E-02 ppm1      4.197 ppm2      0.599 CV     1
 ASSI {  350}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      2.900     1.600     1.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.36198E-02 ppm1      4.199 ppm2      0.691 CV     1
 ASSI {  351}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
      3.800     2.300     2.200 peak   351 spectrum    1 weight  0.10000E+01 volume  0.21835E-02 ppm1      4.196 ppm2     -0.016 CV     1
 ASSI {  352}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      2.600     1.300     1.300 peak   352 spectrum    1 weight  0.10000E+01 volume  0.93352E-02 ppm1      0.691 ppm2     -0.016 CV     1
 ASSI {  353}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     1.400     1.400 peak   353 spectrum    1 weight  0.10000E+01 volume  0.64041E-02 ppm1      4.607 ppm2      9.183 CV     1
 ASSI {  355}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.97453E-02 ppm1      5.695 ppm2      8.394 CV     1
 ASSI {  356}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.900     1.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      2.885 ppm2      8.394 CV     1
 ASSI {  357}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      4.000     2.500     2.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.66972E-03 ppm1      2.620 ppm2      8.394 CV     1
 ASSI {  358}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.800     1.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.54076E-03 ppm1      8.397 ppm2      9.182 CV     1
 ASSI {  359}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 32   and name HG2%)
      6.000     5.000     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.000 ppm2      1.119 CV     1
 ASSI {  360}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG1%)
      2.400     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.10962E-01 ppm1      2.238 ppm2      1.004 CV     1
 ASSI {  361}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.400     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.98628E-02 ppm1      2.235 ppm2      1.116 CV     1
 ASSI {  362}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      2.600     1.400     1.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.97897E-02 ppm1      4.945 ppm2      1.116 CV     1
 ASSI {  363}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      2.800     1.500     1.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.46162E-02 ppm1      4.948 ppm2      1.003 CV     1
 ASSI {  364}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.15387E-01 ppm1      4.946 ppm2      8.730 CV     1
 ASSI {  365}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.600     1.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.41327E-02 ppm1      2.235 ppm2      8.729 CV     1
 ASSI {  366}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.000     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.113 ppm2      8.730 CV     1
 ASSI {  367}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 33   and name HN  ))
      4.500     3.000     1.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.60378E-03 ppm1      1.006 ppm2      8.732 CV     1
 ASSI {  368}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 33   and name HG1%)
      6.000     5.000     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.995 ppm2      0.826 CV     1
 ASSI {  369}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG1%)
      2.600     1.300     1.300 peak   369 spectrum    1 weight  0.10000E+01 volume  0.69174E-02 ppm1      1.913 ppm2      0.825 CV     1
 ASSI {  370}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      2.500     1.300     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.74593E-02 ppm1      1.913 ppm2      0.998 CV     1
 ASSI {  371}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      2.700     1.400     1.400 peak   371 spectrum    1 weight  0.10000E+01 volume  0.45870E-02 ppm1      3.464 ppm2      1.911 CV     1
 ASSI {  372}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.800     1.500     1.500 peak   372 spectrum    1 weight  0.10000E+01 volume  0.43378E-02 ppm1      3.467 ppm2      0.996 CV     1
 ASSI {  373}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG1%)
      3.600     2.100     2.100 peak   373 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      3.465 ppm2      0.825 CV     1
 ASSI {  375}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     1.300     1.300 peak   375 spectrum    1 weight  0.10000E+01 volume  0.55395E-02 ppm1      4.078 ppm2      8.096 CV     1
 ASSI {  376}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.100     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.19491E-01 ppm1      3.472 ppm2      8.097 CV     1
 ASSI {  377}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      4.100     2.600     1.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.90270E-03 ppm1      1.913 ppm2      8.096 CV     1
 ASSI {  378}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.800     2.300     2.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.11562E-02 ppm1      0.995 ppm2      8.096 CV     1
 ASSI {  379}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.30775E-02 ppm1      0.826 ppm2      8.094 CV     1
 ASSI {  380}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     1.400     1.400 peak   380 spectrum    1 weight  0.10000E+01 volume  0.63162E-02 ppm1      4.080 ppm2      7.805 CV     1
 ASSI {  381}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      5.000     3.600     1.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.25646E-03 ppm1      8.096 ppm2      7.803 CV     1
 ASSI {  382}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG1%)
      2.200     1.100     1.100 peak   382 spectrum    1 weight  0.10000E+01 volume  0.17879E-01 ppm1      1.898 ppm2      0.935 CV     1
 OR {  382}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI {  383}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG1%)
      2.500     1.300     1.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.87632E-02 ppm1      3.997 ppm2      0.933 CV     1
 OR {  383}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI {  384}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      3.000     1.600     1.600 peak   384 spectrum    1 weight  0.10000E+01 volume  0.30482E-02 ppm1      3.997 ppm2      1.898 CV     1
 ASSI {  385}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     1.200     1.200 peak   385 spectrum    1 weight  0.10000E+01 volume  0.91740E-02 ppm1      1.896 ppm2      8.702 CV     1
 ASSI {  386}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.600     1.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.39568E-02 ppm1      0.930 ppm2      8.703 CV     1
 OR {  386}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  387}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.13834E-01 ppm1      3.997 ppm2      8.702 CV     1
 ASSI {  389}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     5.000     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.806 ppm2      8.702 CV     1
 ASSI {  390}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 36   and name HN  ))
      2.700     1.400     1.400 peak   390 spectrum    1 weight  0.10000E+01 volume  0.48800E-02 ppm1      1.571 ppm2      8.702 CV     1
 ASSI {  391}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 36   and name HN  ))
      3.900     2.400     2.100 peak   391 spectrum    1 weight  0.10000E+01 volume  0.69611E-03 ppm1      1.063 ppm2      8.702 CV     1
 ASSI {  392}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      3.500     2.000     2.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.33853E-02 ppm1      0.867 ppm2      8.702 CV     1
 ASSI {  393}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.900     1.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.33853E-02 ppm1      0.812 ppm2      8.702 CV     1
 ASSI {  394}
   (( segid "    " and resid 36   and name HG12))
   (  segid "    " and resid 36   and name HD1%)
      2.900     1.500     1.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.33853E-02 ppm1      1.063 ppm2      0.808 CV     1
 ASSI {  395}
   (( segid "    " and resid 36   and name HG12))
   (  segid "    " and resid 36   and name HG2%)
      6.000     5.000     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.063 ppm2      0.871 CV     1
 ASSI {  396}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 36   and name HG12))
      1.800     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.21250E-01 ppm1      1.571 ppm2      1.061 CV     1
 ASSI {  397}
   (( segid "    " and resid 36   and name HG13))
   (  segid "    " and resid 36   and name HG2%)
      3.400     1.900     1.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.24473E-02 ppm1      1.571 ppm2      0.868 CV     1
 ASSI {  398}
   (( segid "    " and resid 36   and name HG13))
   (  segid "    " and resid 36   and name HD1%)
      6.000     5.000     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.569 ppm2      0.808 CV     1
 ASSI {  399}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HD1%)
      4.100     2.600     1.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.59059E-03 ppm1      1.803 ppm2      0.807 CV     1
 ASSI {  400}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      2.300     1.100     1.100 peak   400 spectrum    1 weight  0.10000E+01 volume  0.13688E-01 ppm1      1.804 ppm2      0.868 CV     1
 ASSI {  401}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HG12))
      3.700     2.200     2.200 peak   401 spectrum    1 weight  0.10000E+01 volume  0.99359E-03 ppm1      1.804 ppm2      1.063 CV     1
 ASSI {  402}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HG13))
      2.800     1.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.34732E-02 ppm1      1.806 ppm2      1.575 CV     1
 ASSI {  403}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB  ))
      3.100     1.700     1.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.28137E-02 ppm1      3.436 ppm2      1.800 CV     1
 ASSI {  404}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG13))
      3.300     1.800     1.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.23154E-02 ppm1      3.438 ppm2      1.572 CV     1
 ASSI {  405}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG12))
      3.100     1.700     1.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.21982E-02 ppm1      3.437 ppm2      1.063 CV     1
 ASSI {  406}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HG2%)
      2.700     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.47189E-02 ppm1      3.438 ppm2      0.867 CV     1
 ASSI {  407}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      3.900     2.400     2.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      3.436 ppm2      0.810 CV     1
 ASSI {  408}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.900     1.600 peak   408 spectrum    1 weight  0.10000E+01 volume  0.33267E-03 ppm1      8.701 ppm2      9.120 CV     1
 ASSI {  409}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     1.100     1.100 peak   409 spectrum    1 weight  0.10000E+01 volume  0.17732E-01 ppm1      3.436 ppm2      9.120 CV     1
 ASSI {  410}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 37   and name HN  ))
      5.100     3.700     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.27258E-03 ppm1      1.570 ppm2      9.120 CV     1
 ASSI {  411}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.805 ppm2      9.120 CV     1
 ASSI {  412}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.062 ppm2      9.120 CV     1
 ASSI {  413}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.809 ppm2      9.120 CV     1
 ASSI {  414}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      3.500     2.100     2.100 peak   414 spectrum    1 weight  0.10000E+01 volume  0.14245E-02 ppm1      0.866 ppm2      9.120 CV     1
 ASSI {  416}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.800     1.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      3.591 ppm2      8.235 CV     1
 ASSI {  417}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.800     1.800 peak   417 spectrum    1 weight  0.10000E+01 volume  0.29603E-02 ppm1      4.408 ppm2      8.234 CV     1
 ASSI {  418}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     5.000     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.011 ppm2      8.234 CV     1
 ASSI {  419}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.600     1.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.47921E-02 ppm1      3.876 ppm2      8.234 CV     1
 ASSI {  420}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.100     1.100     1.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.90421E-02 ppm1      4.011 ppm2      3.879 CV     1
 ASSI {  421}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.000     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.31654E-02 ppm1      4.559 ppm2      4.011 CV     1
 ASSI {  422}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.700     1.400     1.400 peak   422 spectrum    1 weight  0.10000E+01 volume  0.56861E-02 ppm1      4.559 ppm2      3.879 CV     1
 ASSI {  423}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      5.600     4.400     0.400 peak   423 spectrum    1 weight  0.10000E+01 volume  0.96428E-04 ppm1      8.499 ppm2      8.234 CV     1
 ASSI {  424}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     1.100     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.15681E-01 ppm1      4.559 ppm2      8.499 CV     1
 ASSI {  425}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      3.100     1.700     1.700 peak   425 spectrum    1 weight  0.10000E+01 volume  0.35171E-02 ppm1      4.011 ppm2      8.499 CV     1
 ASSI {  426}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.600     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.62869E-02 ppm1      3.876 ppm2      8.499 CV     1
 ASSI {  427}
   (( segid "    " and resid 67   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
      3.100     1.700     1.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.23154E-02 ppm1      2.030 ppm2      8.542 CV     1
 ASSI {  428}
   (  segid "    " and resid 67   and name HG2%)
   (  segid "    " and resid 67   and name HG1%)
      2.700     1.400     1.400 peak   428 spectrum    1 weight  0.10000E+01 volume  0.66972E-02 ppm1      0.814 ppm2      0.670 CV     1
 ASSI {  429}
   (( segid "    " and resid 67   and name HB  ))
   (  segid "    " and resid 67   and name HG1%)
      2.400     1.200     1.200 peak   429 spectrum    1 weight  0.10000E+01 volume  0.93646E-02 ppm1      2.028 ppm2      0.669 CV     1
 ASSI {  430}
   (( segid "    " and resid 67   and name HB  ))
   (  segid "    " and resid 67   and name HG2%)
      2.400     1.200     1.200 peak   430 spectrum    1 weight  0.10000E+01 volume  0.10434E-01 ppm1      2.030 ppm2      0.811 CV     1
 ASSI {  431}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 67   and name HG1%)
      3.000     1.600     1.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.40301E-02 ppm1      4.111 ppm2      0.670 CV     1
 ASSI {  432}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 67   and name HG2%)
      3.000     1.600     1.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.38982E-02 ppm1      4.111 ppm2      0.812 CV     1
 ASSI {  433}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB  ))
      2.700     1.400     1.400 peak   433 spectrum    1 weight  0.10000E+01 volume  0.51585E-02 ppm1      4.111 ppm2      2.031 CV     1
 ASSI {  434}
   (( segid "    " and resid 67   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     2.000     2.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.15094E-02 ppm1      2.030 ppm2      8.171 CV     1
 ASSI {  435}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      3.500     2.000     2.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.13322E-02 ppm1      0.814 ppm2      8.171 CV     1
 ASSI {  436}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      3.900     2.400     2.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.94084E-03 ppm1      0.672 ppm2      8.171 CV     1
 ASSI {  437}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     5.000     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.109 ppm2      8.171 CV     1
 ASSI {  438}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.100     1.700     1.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.24620E-02 ppm1      8.169 ppm2      8.540 CV     1
 ASSI {  439}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HB% )
      2.700     1.400     1.400 peak   439 spectrum    1 weight  0.10000E+01 volume  0.60525E-02 ppm1      4.100 ppm2      1.349 CV     1
 ASSI {  440}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     5.000     0.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.100 ppm2      8.172 CV     1
 ASSI {  441}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     5.000     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.006 ppm2      2.938 CV     1
 ASSI {  442}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.800     1.400     1.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.46162E-02 ppm1      5.677 ppm2      2.938 CV     1
 ASSI {  443}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
      3.000     1.700     1.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.28577E-02 ppm1      5.677 ppm2      3.003 CV     1
 ASSI {  444}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     1.200     1.200 peak   444 spectrum    1 weight  0.10000E+01 volume  0.82801E-02 ppm1      5.675 ppm2      8.541 CV     1
 ASSI {  445}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      5.400     4.100     0.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.19931E-03 ppm1      7.708 ppm2      8.540 CV     1
 ASSI {  446}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      3.400     2.000     2.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.12779E-02 ppm1      3.006 ppm2      8.540 CV     1
 ASSI {  447}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     2.100     2.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.25353E-02 ppm1      2.938 ppm2      8.540 CV     1
 ASSI {  448}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.700     0.800     0.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.35171E-01 ppm1      3.277 ppm2      2.884 CV     1
 ASSI {  449}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.600     1.400     1.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.53637E-02 ppm1      4.923 ppm2      3.278 CV     1
 ASSI {  450}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.100     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.33706E-02 ppm1      4.922 ppm2      2.883 CV     1
 ASSI {  451}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.800     1.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.22569E-02 ppm1      4.922 ppm2      7.708 CV     1
 ASSI {  452}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 66   and name HN  ))
      4.700     3.300     1.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.47189E-03 ppm1      3.279 ppm2      7.713 CV     1
 ASSI {  453}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.400     1.900     1.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.11137E-02 ppm1      2.886 ppm2      7.710 CV     1
 ASSI {  454}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     1.400     1.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.51731E-02 ppm1      7.708 ppm2      8.257 CV     1
 ASSI {  455}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 65   and name HD21))
      1.700     0.800     0.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.35025E-01 ppm1      7.040 ppm2      7.562 CV     1
 ASSI {  456}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HD21))
      6.000     5.100     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.11137E-03 ppm1      4.923 ppm2      7.565 CV     1
 ASSI {  457}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HD22))
      6.000     5.700     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.12574E-03 ppm1      4.923 ppm2      7.041 CV     1
 ASSI {  458}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HD22))
      4.500     3.100     1.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.89245E-03 ppm1      3.276 ppm2      7.042 CV     1
 ASSI {  459}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
      4.600     3.200     1.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.75181E-03 ppm1      2.887 ppm2      7.041 CV     1
 ASSI {  460}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HD21))
      3.300     1.900     1.900 peak   460 spectrum    1 weight  0.10000E+01 volume  0.21982E-02 ppm1      3.279 ppm2      7.562 CV     1
 ASSI {  461}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD21))
      3.500     2.000     2.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.60817E-03 ppm1      2.884 ppm2      7.560 CV     1
 ASSI {  462}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     2.200     2.200 peak   462 spectrum    1 weight  0.10000E+01 volume  0.12178E-02 ppm1      4.269 ppm2      8.258 CV     1
 ASSI {  463}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.700     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.30042E-02 ppm1      1.383 ppm2      8.258 CV     1
 ASSI {  464}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HB% )
      2.400     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.13218E-01 ppm1      4.268 ppm2      1.380 CV     1
 ASSI {  465}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     5.000     0.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.253 ppm2      8.410 CV     1
 ASSI {  466}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HE21))
      3.000     1.600     1.600 peak   466 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      2.446 ppm2      7.518 CV     1
 OR {  466}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HE21))
 ASSI {  467}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HE22))
      5.000     3.600     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.40740E-03 ppm1      2.447 ppm2      6.872 CV     1
 OR {  467}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HE22))
 ASSI {  468}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HE21))
      6.000     5.000     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.183 ppm2      7.518 CV     1
 ASSI {  469}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HE21))
      6.000     5.000     0.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.075 ppm2      7.517 CV     1
 ASSI {  470}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HE22))
      6.000     6.000     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.67412E-04 ppm1      2.075 ppm2      6.872 CV     1
 ASSI {  471}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HE22))
      6.000     5.000     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.185 ppm2      6.873 CV     1
 ASSI {  472}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 21   and name HE21))
      6.000     5.000     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.872 ppm2      7.518 CV     1
 ASSI {  473}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     2.000     2.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.20224E-02 ppm1      2.929 ppm2      8.611 CV     1
 ASSI {  474}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.000     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.658 ppm2      8.609 CV     1
 ASSI {  475}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     5.000     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.928 ppm2      2.658 CV     1
 ASSI {  476}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.800     1.500     1.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.47481E-02 ppm1      4.899 ppm2      2.658 CV     1
 ASSI {  477}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.600     1.400     1.400 peak   477 spectrum    1 weight  0.10000E+01 volume  0.64774E-02 ppm1      4.899 ppm2      2.929 CV     1
 ASSI {  478}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HD21))
      5.600     4.400     0.400 peak   478 spectrum    1 weight  0.10000E+01 volume  0.98334E-04 ppm1      4.899 ppm2      7.592 CV     1
 ASSI {  479}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD21))
      6.000     5.000     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.660 ppm2      7.591 CV     1
 ASSI {  480}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD22))
      5.800     4.800     0.200 peak   480 spectrum    1 weight  0.10000E+01 volume  0.19198E-03 ppm1      2.660 ppm2      6.917 CV     1
 ASSI {  481}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HD22))
      5.200     3.900     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.38689E-03 ppm1      2.928 ppm2      6.917 CV     1
 ASSI {  482}
   (( segid "    " and resid 8    and name HD22))
   (( segid "    " and resid 8    and name HD21))
      1.800     0.900     0.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.30629E-01 ppm1      6.918 ppm2      7.589 CV     1
 ASSI {  483}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.600     1.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.30629E-02 ppm1      4.899 ppm2      7.645 CV     1
 ASSI {  484}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      4.500     3.000     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.41620E-03 ppm1      2.931 ppm2      7.645 CV     1
 ASSI {  485}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      5.400     4.100     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.16560E-03 ppm1      2.658 ppm2      7.646 CV     1
 ASSI {  486}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.51878E-02 ppm1      7.642 ppm2      8.612 CV     1
 ASSI {  487}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.14200E-01 ppm1      3.981 ppm2      3.823 CV     1
 ASSI {  488}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG2%)
      2.500     1.300     1.300 peak   488 spectrum    1 weight  0.10000E+01 volume  0.80012E-02 ppm1      3.981 ppm2      1.270 CV     1
 ASSI {  489}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      2.700     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.63016E-02 ppm1      3.823 ppm2      1.270 CV     1
 ASSI {  490}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.500     1.500 peak   490 spectrum    1 weight  0.10000E+01 volume  0.51878E-02 ppm1      7.642 ppm2      8.623 CV     1
 ASSI {  491}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     5.000     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.983 ppm2      8.620 CV     1
 ASSI {  492}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     5.000     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.823 ppm2      8.620 CV     1
 ASSI {  493}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      3.700     2.200     2.200 peak   493 spectrum    1 weight  0.10000E+01 volume  0.12999E-02 ppm1      1.269 ppm2      8.623 CV     1
 ASSI {  494}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.700     2.200     2.200 peak   494 spectrum    1 weight  0.10000E+01 volume  0.12471E-02 ppm1      3.071 ppm2      8.621 CV     1
 ASSI {  495}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.900     1.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.13409E-02 ppm1      2.697 ppm2      8.621 CV     1
 ASSI {  496}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.700     0.900     0.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.30042E-01 ppm1      3.071 ppm2      2.697 CV     1
 ASSI {  497}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.600     1.300     1.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.80163E-02 ppm1      4.961 ppm2      3.071 CV     1
 ASSI {  498}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.000     1.600     1.600 peak   498 spectrum    1 weight  0.10000E+01 volume  0.32680E-02 ppm1      4.961 ppm2      2.696 CV     1
 ASSI {  499}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     1.300     1.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.76206E-02 ppm1      4.961 ppm2      8.584 CV     1
 ASSI {  500}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.600     2.100     2.100 peak   500 spectrum    1 weight  0.10000E+01 volume  0.12501E-02 ppm1      3.071 ppm2      8.585 CV     1
 ASSI {  501}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     5.000     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.697 ppm2      8.585 CV     1
 ASSI {  502}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.000     1.000     1.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.14200E-01 ppm1      3.937 ppm2      3.837 CV     1
 ASSI {  503}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.500     1.500 peak   503 spectrum    1 weight  0.10000E+01 volume  0.50266E-02 ppm1      4.504 ppm2      3.837 CV     1
 ASSI {  504}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.100     1.700     1.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.25646E-02 ppm1      4.504 ppm2      3.936 CV     1
 ASSI {  505}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.600     1.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.28870E-02 ppm1      4.505 ppm2      7.464 CV     1
 ASSI {  506}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      4.400     2.900     1.600 peak   506 spectrum    1 weight  0.10000E+01 volume  0.49973E-03 ppm1      3.940 ppm2      7.464 CV     1
 ASSI {  507}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.700     3.300     1.300 peak   507 spectrum    1 weight  0.10000E+01 volume  0.35611E-03 ppm1      3.836 ppm2      7.464 CV     1
 ASSI {  508}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.700     1.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      7.462 ppm2      8.584 CV     1
 ASSI {  509}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.600     1.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.30775E-02 ppm1      1.345 ppm2      7.463 CV     1
 ASSI {  510}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HN  ))
      3.600     2.100     2.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.16560E-02 ppm1      0.952 ppm2      7.463 CV     1
 ASSI {  511}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 12   and name HD1%)
      2.500     1.300     1.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.85876E-02 ppm1      0.953 ppm2      0.552 CV     1
 ASSI {  512}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 12   and name HD1%)
      2.700     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.85876E-02 ppm1      0.918 ppm2      0.553 CV     1
 ASSI {  513}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HG12))
      2.000     1.000     1.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.90270E-02 ppm1      1.346 ppm2      0.951 CV     1
 ASSI {  514}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.000     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.398 ppm2      0.555 CV     1
 ASSI {  515}
   (( segid "    " and resid 12   and name HG13))
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.000     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.348 ppm2      0.555 CV     1
 ASSI {  516}
   (( segid "    " and resid 12   and name HG13))
   (  segid "    " and resid 12   and name HG2%)
      6.000     5.000     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.348 ppm2      0.913 CV     1
 ASSI {  517}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      3.000     1.700     1.700 peak   517 spectrum    1 weight  0.10000E+01 volume  0.56275E-02 ppm1      4.240 ppm2      0.555 CV     1
 ASSI {  518}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      6.000     5.000     0.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.240 ppm2      0.915 CV     1
 ASSI {  519}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG12))
      6.000     5.000     0.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.241 ppm2      0.951 CV     1
 ASSI {  520}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG13))
      3.400     2.000     2.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.13131E-02 ppm1      4.240 ppm2      1.343 CV     1
 ASSI {  521}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      2.300     1.200     1.200 peak   521 spectrum    1 weight  0.10000E+01 volume  0.13218E-01 ppm1      4.238 ppm2      1.400 CV     1
 ASSI {  522}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.800     1.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.18905E-02 ppm1      4.347 ppm2      8.605 CV     1
 ASSI {  523}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     1.200     1.200 peak   523 spectrum    1 weight  0.10000E+01 volume  0.13527E-01 ppm1      4.240 ppm2      8.603 CV     1
 ASSI {  524}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     2.300     2.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.47628E-03 ppm1      1.402 ppm2      8.603 CV     1
 ASSI {  525}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.600     1.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.46602E-02 ppm1      0.918 ppm2      8.602 CV     1
 ASSI {  526}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      5.400     4.200     0.600 peak   526 spectrum    1 weight  0.10000E+01 volume  0.21103E-03 ppm1      0.554 ppm2      8.603 CV     1
 ASSI {  527}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.700     1.700 peak   527 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      7.462 ppm2      8.603 CV     1
 ASSI {  528}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     2.000     2.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.13409E-02 ppm1      2.665 ppm2      8.605 CV     1
 OR {  528}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  529}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     1.300     1.300 peak   529 spectrum    1 weight  0.10000E+01 volume  0.11064E-01 ppm1      4.350 ppm2      2.658 CV     1
 OR {  529}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {  530}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.83675E-02 ppm1      4.347 ppm2      8.540 CV     1
 ASSI {  531}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.54223E-02 ppm1      2.663 ppm2      8.542 CV     1
 OR {  531}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  532}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     1.400     1.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.81331E-02 ppm1      4.399 ppm2      2.764 CV     1
 ASSI {  533}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.600     1.400     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.72393E-02 ppm1      4.399 ppm2      2.904 CV     1
 ASSI {  534}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.600     1.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.40154E-02 ppm1      4.399 ppm2      8.010 CV     1
 ASSI {  535}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      4.700     3.200     1.300 peak   535 spectrum    1 weight  0.10000E+01 volume  0.37956E-03 ppm1      2.906 ppm2      8.008 CV     1
 ASSI {  536}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      5.100     3.800     0.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.19637E-03 ppm1      2.778 ppm2      8.011 CV     1
 ASSI {  537}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     1.300     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.53343E-02 ppm1      8.542 ppm2      8.007 CV     1
 ASSI {  538}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     5.000     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.905 ppm2      2.774 CV     1
 ASSI {  539}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.700     1.700 peak   539 spectrum    1 weight  0.10000E+01 volume  0.71224E-02 ppm1      3.140 ppm2      8.007 CV     1
 ASSI {  540}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     1.400     1.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.32680E-02 ppm1      2.462 ppm2      8.009 CV     1
 ASSI {  541}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.700     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.32826E-01 ppm1      3.139 ppm2      2.459 CV     1
 ASSI {  542}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     1.400     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.96865E-02 ppm1      4.575 ppm2      2.456 CV     1
 ASSI {  543}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.800     1.500     1.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.34585E-02 ppm1      4.580 ppm2      3.140 CV     1
 ASSI {  544}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 15   and name HD% )
      2.000     1.000     1.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.27551E-01 ppm1      6.747 ppm2      6.978 CV     1
 ASSI {  545}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      2.900     1.600     1.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.31654E-02 ppm1      4.578 ppm2      6.977 CV     1
 ASSI {  546}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      5.300     4.000     0.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.28137E-03 ppm1      4.577 ppm2      6.744 CV     1
 ASSI {  547}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
      2.500     1.300     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.79281E-02 ppm1      3.140 ppm2      6.977 CV     1
 ASSI {  548}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD% )
      2.400     1.200     1.200 peak   548 spectrum    1 weight  0.10000E+01 volume  0.89539E-02 ppm1      2.462 ppm2      6.977 CV     1
 ASSI {  549}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      4.600     3.200     1.400 peak   549 spectrum    1 weight  0.10000E+01 volume  0.81331E-03 ppm1      2.462 ppm2      6.745 CV     1
 ASSI {  550}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
      5.400     4.200     0.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.30042E-03 ppm1      3.140 ppm2      6.744 CV     1
 ASSI {  551}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     2.200     2.200 peak   551 spectrum    1 weight  0.10000E+01 volume  0.63162E-03 ppm1      3.142 ppm2      8.696 CV     1
 ASSI {  552}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.600     1.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      2.458 ppm2      8.693 CV     1
 ASSI {  553}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     1.200     1.200 peak   553 spectrum    1 weight  0.10000E+01 volume  0.83532E-02 ppm1      4.578 ppm2      8.694 CV     1
 ASSI {  554}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.300     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.10332E-03 ppm1      8.689 ppm2      8.006 CV     1
 ASSI {  555}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      2.700     1.400     1.400 peak   555 spectrum    1 weight  0.10000E+01 volume  0.48800E-02 ppm1      4.713 ppm2      6.801 CV     1
 ASSI {  556}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.600     1.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.30482E-02 ppm1      4.638 ppm2      8.721 CV     1
 ASSI {  557}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD21))
      4.600     3.100     1.400 peak   557 spectrum    1 weight  0.10000E+01 volume  0.29016E-03 ppm1      4.638 ppm2      7.651 CV     1
 ASSI {  558}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD22))
      5.000     3.600     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.32826E-03 ppm1      4.639 ppm2      6.885 CV     1
 ASSI {  559}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HD21))
      3.600     2.100     2.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.58326E-03 ppm1      2.811 ppm2      7.652 CV     1
 ASSI {  560}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HD21))
      4.000     2.500     2.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.83238E-03 ppm1      2.729 ppm2      7.651 CV     1
 ASSI {  561}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HD22))
      5.200     3.900     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.40447E-03 ppm1      2.728 ppm2      6.884 CV     1
 ASSI {  562}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HD22))
      5.400     4.100     0.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.31215E-03 ppm1      2.811 ppm2      6.885 CV     1
 ASSI {  563}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 62   and name HD21))
      1.600     0.800     0.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.46455E-01 ppm1      6.887 ppm2      7.651 CV     1
 ASSI {  564}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.300     1.100     1.100 peak   564 spectrum    1 weight  0.10000E+01 volume  0.15827E-01 ppm1      4.638 ppm2      8.804 CV     1
 ASSI {  565}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      4.200     2.700     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.30189E-03 ppm1      2.811 ppm2      8.802 CV     1
 ASSI {  566}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      4.500     3.100     1.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.57887E-03 ppm1      2.729 ppm2      8.802 CV     1
 ASSI {  567}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     5.000     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.811 ppm2      2.730 CV     1
 ASSI {  568}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     1.600     1.600 peak   568 spectrum    1 weight  0.10000E+01 volume  0.30629E-02 ppm1      4.638 ppm2      2.729 CV     1
 ASSI {  569}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.100     1.700     1.700 peak   569 spectrum    1 weight  0.10000E+01 volume  0.26965E-02 ppm1      4.640 ppm2      2.810 CV     1
 ASSI {  570}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 63   and name HN  ))
      6.000     5.000     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.389 ppm2      8.804 CV     1
 ASSI {  571}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HB% )
      2.300     1.200     1.200 peak   571 spectrum    1 weight  0.10000E+01 volume  0.13131E-01 ppm1      3.786 ppm2      1.389 CV     1
 ASSI {  572}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     5.000     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.786 ppm2      8.804 CV     1
 ASSI {  573}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 64   and name HN  ))
      3.300     1.800     1.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.31068E-02 ppm1      1.389 ppm2      8.409 CV     1
 ASSI {  574}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.700     2.200     2.200 peak   574 spectrum    1 weight  0.10000E+01 volume  0.81482E-03 ppm1      3.786 ppm2      8.409 CV     1
 ASSI {  576}
   (( segid "    " and resid 56   and name HD22))
   (( segid "    " and resid 56   and name HD21))
      1.800     0.900     0.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.30629E-01 ppm1      6.932 ppm2      7.563 CV     1
 ASSI {  577}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD% )
      3.100     1.700     1.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.40008E-02 ppm1      4.959 ppm2      7.102 CV     1
 ASSI {  578}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.300     1.200     1.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.13306E-01 ppm1      4.958 ppm2      2.975 CV     1
 OR {  578}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  579}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HE% )
      5.300     4.000     0.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.30629E-03 ppm1      4.959 ppm2      7.199 CV     1
 ASSI {  580}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 58   and name HD% )
      2.300     1.200     1.200 peak   580 spectrum    1 weight  0.10000E+01 volume  0.11929E-01 ppm1      2.976 ppm2      7.102 CV     1
 OR {  580}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 58   and name HD% )
 ASSI {  581}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 58   and name HE% )
      3.800     2.300     2.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      2.975 ppm2      7.202 CV     1
 OR {  581}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 58   and name HE% )
 ASSI {  582}
   (  segid "    " and resid 58   and name HE% )
   (  segid "    " and resid 58   and name HD% )
      6.000     5.000     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.200 ppm2      7.104 CV     1
 ASSI {  583}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.300     1.100     1.100 peak   583 spectrum    1 weight  0.10000E+01 volume  0.15387E-01 ppm1      4.959 ppm2      8.950 CV     1
 ASSI {  584}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      3.300     1.900     1.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      2.976 ppm2      8.950 CV     1
 OR {  584}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  586}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.500     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.42646E-02 ppm1      4.404 ppm2      7.913 CV     1
 ASSI {  587}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.700     1.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.30922E-02 ppm1      3.924 ppm2      7.913 CV     1
 OR {  587}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  588}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.800     1.500     1.500 peak   588 spectrum    1 weight  0.10000E+01 volume  0.51145E-02 ppm1      4.402 ppm2      3.924 CV     1
 OR {  588}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 ASSI {  589}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.600     1.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.34732E-02 ppm1      7.915 ppm2      8.375 CV     1
 ASSI {  590}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     1.400     1.400 peak   590 spectrum    1 weight  0.10000E+01 volume  0.60525E-02 ppm1      4.830 ppm2      8.375 CV     1
 ASSI {  591}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD21))
      6.000     5.000     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.830 ppm2      7.563 CV     1
 ASSI {  592}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD22))
      5.900     4.900     0.100 peak   592 spectrum    1 weight  0.10000E+01 volume  0.12501E-03 ppm1      4.828 ppm2      6.932 CV     1
 ASSI {  593}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD21))
      3.500     2.000     2.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.99503E-03 ppm1      2.788 ppm2      7.562 CV     1
 ASSI {  594}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HD21))
      3.800     2.300     2.200 peak   594 spectrum    1 weight  0.10000E+01 volume  0.60817E-03 ppm1      2.884 ppm2      7.564 CV     1
 ASSI {  595}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD22))
      5.200     3.900     0.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.35464E-03 ppm1      2.789 ppm2      6.929 CV     1
 ASSI {  596}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.100     1.700     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.25646E-02 ppm1      4.483 ppm2      1.277 CV     1
 ASSI {  597}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.100     1.700     1.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.23301E-02 ppm1      4.482 ppm2      1.319 CV     1
 ASSI {  598}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      2.900     1.500     1.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.37663E-02 ppm1      4.483 ppm2      1.539 CV     1
 ASSI {  599}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     5.000     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.011 ppm2      8.211 CV     1
 ASSI {  600}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.500     1.300     1.300 peak   600 spectrum    1 weight  0.10000E+01 volume  0.85288E-02 ppm1      4.474 ppm2      1.200 CV     1
 ASSI {  601}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.500     1.300     1.300 peak   601 spectrum    1 weight  0.10000E+01 volume  0.84557E-02 ppm1      4.015 ppm2      1.201 CV     1
 ASSI {  602}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      3.800     2.300     2.200 peak   602 spectrum    1 weight  0.10000E+01 volume  0.76206E-03 ppm1      4.472 ppm2      4.010 CV     1
 ASSI {  603}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.600     1.600 peak   603 spectrum    1 weight  0.10000E+01 volume  0.27991E-02 ppm1      3.899 ppm2      8.686 CV     1
 ASSI {  604}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.600     1.600 peak   604 spectrum    1 weight  0.10000E+01 volume  0.51145E-02 ppm1      2.019 ppm2      8.686 CV     1
 ASSI {  605}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     5.000     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.642 ppm2      8.686 CV     1
 ASSI {  606}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HN  ))
      3.500     2.000     2.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.14318E-02 ppm1      1.300 ppm2      8.686 CV     1
 ASSI {  607}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.700     1.700 peak   607 spectrum    1 weight  0.10000E+01 volume  0.29016E-02 ppm1      1.301 ppm2      8.211 CV     1
 ASSI {  608}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.300     1.200     1.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.12310E-01 ppm1      4.642 ppm2      8.212 CV     1
 ASSI {  609}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      4.800     3.300     1.200 peak   609 spectrum    1 weight  0.10000E+01 volume  0.36637E-03 ppm1      8.211 ppm2      8.687 CV     1
 ASSI {  610}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      2.600     1.300     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.75181E-02 ppm1      4.642 ppm2      1.301 CV     1
 ASSI {  611}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.900     1.600 peak   611 spectrum    1 weight  0.10000E+01 volume  0.36637E-03 ppm1      8.207 ppm2      8.716 CV     1
 ASSI {  612}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.13732E-01 ppm1      4.475 ppm2      8.716 CV     1
 ASSI {  613}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     1.200     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.13834E-01 ppm1      4.012 ppm2      8.715 CV     1
 ASSI {  614}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      3.900     2.400     2.100 peak   614 spectrum    1 weight  0.10000E+01 volume  0.11621E-02 ppm1      1.199 ppm2      8.718 CV     1
 ASSI {  615}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      3.100     1.700     1.700 peak   615 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      4.165 ppm2      8.687 CV     1
 ASSI {  616}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
      2.400     1.200     1.200 peak   616 spectrum    1 weight  0.10000E+01 volume  0.13834E-01 ppm1      4.026 ppm2      8.686 CV     1
 ASSI {  617}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     5.000     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      8.686 CV     1
 ASSI {  618}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
      6.000     5.000     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.167 ppm2      3.972 CV     1
 ASSI {  619}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
      6.000     5.000     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.167 ppm2      4.026 CV     1
 ASSI {  620}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     1.300     1.300 peak   620 spectrum    1 weight  0.10000E+01 volume  0.82213E-02 ppm1      4.004 ppm2      8.876 CV     1
 ASSI {  621}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HD2 ))
      1.700     0.800     0.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.32826E-01 ppm1      3.746 ppm2      3.545 CV     1
 ASSI {  622}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB3 ))
      4.000     2.500     2.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.13907E-02 ppm1      3.744 ppm2      2.355 CV     1
 ASSI {  623}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.700     2.200     2.200 peak   623 spectrum    1 weight  0.10000E+01 volume  0.31801E-02 ppm1      3.545 ppm2      2.354 CV     1
 ASSI {  624}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.100     1.700     1.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.89539E-02 ppm1      3.743 ppm2      2.044 CV     1
 ASSI {  625}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     5.000     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.547 ppm2      2.042 CV     1
 ASSI {  626}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG3 ))
      6.000     5.000     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.545 ppm2      2.041 CV     1
 OR {  626}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  627}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.400     1.200     1.200 peak   627 spectrum    1 weight  0.10000E+01 volume  0.89539E-02 ppm1      3.743 ppm2      2.041 CV     1
 OR {  627}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI {  628}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     5.000     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.353 ppm2      2.040 CV     1
 ASSI {  629}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     2.100     2.100 peak   629 spectrum    1 weight  0.10000E+01 volume  0.22422E-02 ppm1      3.746 ppm2      8.611 CV     1
 ASSI {  630}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     2.400     2.100 peak   630 spectrum    1 weight  0.10000E+01 volume  0.56714E-03 ppm1      3.545 ppm2      8.611 CV     1
 ASSI {  631}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.100     1.100     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.14801E-01 ppm1      4.338 ppm2      2.354 CV     1
 ASSI {  632}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      6.000     5.000     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.339 ppm2      3.545 CV     1
 ASSI {  633}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      6.000     5.000     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.339 ppm2      3.744 CV     1
 ASSI {  634}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.800     1.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.18905E-02 ppm1      4.339 ppm2      8.613 CV     1
 ASSI {  635}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      5.100     3.700     0.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.28137E-03 ppm1      2.354 ppm2      8.613 CV     1
 ASSI {  636}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     2.200     2.200 peak   636 spectrum    1 weight  0.10000E+01 volume  0.70636E-03 ppm1      2.042 ppm2      8.612 CV     1
 ASSI {  637}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 7    and name HD3 ))
      6.000     5.000     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.006 ppm2      3.746 CV     1
 ASSI {  638}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.200     1.800     1.800 peak   638 spectrum    1 weight  0.10000E+01 volume  0.55542E-02 ppm1      4.007 ppm2      3.547 CV     1
 ASSI {  639}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     1.100     1.100 peak   639 spectrum    1 weight  0.10000E+01 volume  0.17586E-01 ppm1      3.899 ppm2      8.875 CV     1
 ASSI {  640}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      5.400     4.200     0.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.18172E-03 ppm1      8.874 ppm2      8.686 CV     1
 ASSI {  641}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.600     1.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.31801E-02 ppm1      1.448 ppm2      8.687 CV     1
 ASSI {  642}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.800     2.300     2.200 peak   642 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      0.705 ppm2      8.687 CV     1
 ASSI {  643}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HN  ))
      3.700     2.200     2.200 peak   643 spectrum    1 weight  0.10000E+01 volume  0.69611E-03 ppm1      1.075 ppm2      8.685 CV     1
 ASSI {  644}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.500     1.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.34439E-02 ppm1      1.075 ppm2      0.710 CV     1
 ASSI {  645}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 5    and name HD1%)
      6.000     5.000     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.706 CV     1
 ASSI {  646}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
      2.400     1.200     1.200 peak   646 spectrum    1 weight  0.10000E+01 volume  0.93646E-02 ppm1      2.017 ppm2      0.706 CV     1
 ASSI {  647}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.900     1.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.36198E-02 ppm1      0.705 ppm2      8.874 CV     1
 ASSI {  648}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 6    and name HN  ))
      6.000     5.100     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.18025E-03 ppm1      1.074 ppm2      8.875 CV     1
 ASSI {  649}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 6    and name HN  ))
      5.400     4.200     0.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.13482E-03 ppm1      1.449 ppm2      8.875 CV     1
 ASSI {  650}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     2.300     2.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.39275E-03 ppm1      2.020 ppm2      8.875 CV     1
 ASSI {  651}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.400     1.200     1.200 peak   651 spectrum    1 weight  0.10000E+01 volume  0.96284E-02 ppm1      4.698 ppm2      8.686 CV     1
 ASSI {  652}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.500     1.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.47774E-02 ppm1      3.907 ppm2      8.169 CV     1
 ASSI {  653}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     5.000     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.087 ppm2      8.168 CV     1
 ASSI {  654}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.900     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.23447E-02 ppm1      8.496 ppm2      8.167 CV     1
 ASSI {  655}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      3.900     2.400     2.100 peak   655 spectrum    1 weight  0.10000E+01 volume  0.11885E-02 ppm1      2.884 ppm2      8.167 CV     1
 ASSI {  656}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     5.000     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.789 ppm2      8.168 CV     1
 ASSI {  657}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      4.200     2.700     1.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.58912E-03 ppm1      2.789 ppm2      8.376 CV     1
 ASSI {  658}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      3.100     1.700     1.700 peak   658 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      2.884 ppm2      8.376 CV     1
 ASSI {  659}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     5.000     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.169 ppm2      8.376 CV     1
 ASSI {  660}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     1.400     1.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.63455E-02 ppm1      1.769 ppm2      8.172 CV     1
 ASSI {  661}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
      2.100     1.100     1.100 peak   661 spectrum    1 weight  0.10000E+01 volume  0.21835E-01 ppm1      1.766 ppm2      0.770 CV     1
 ASSI {  662}
   (( segid "    " and resid 60   and name HG13))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.900     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.16413E-02 ppm1      1.505 ppm2      8.173 CV     1
 ASSI {  663}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HN  ))
      3.800     2.300     2.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.86901E-03 ppm1      1.185 ppm2      8.172 CV     1
 ASSI {  664}
   (( segid "    " and resid 60   and name HG13))
   (( segid "    " and resid 60   and name HG12))
      1.800     0.900     0.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.17586E-01 ppm1      1.505 ppm2      1.182 CV     1
 ASSI {  665}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG13))
      2.500     1.300     1.300 peak   665 spectrum    1 weight  0.10000E+01 volume  0.68436E-02 ppm1      1.769 ppm2      1.509 CV     1
 ASSI {  666}
   (( segid "    " and resid 60   and name HG12))
   (  segid "    " and resid 60   and name HG2%)
      2.700     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.51878E-02 ppm1      1.185 ppm2      0.771 CV     1
 ASSI {  667}
   (( segid "    " and resid 60   and name HG13))
   (  segid "    " and resid 60   and name HG2%)
      6.000     5.000     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.505 ppm2      0.770 CV     1
 ASSI {  668}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.600     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.31507E-02 ppm1      4.480 ppm2      8.172 CV     1
 ASSI {  669}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB  ))
      3.800     2.300     2.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14127E-02 ppm1      4.475 ppm2      1.766 CV     1
 ASSI {  670}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      3.100     1.700     1.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.27991E-02 ppm1      3.921 ppm2      8.716 CV     1
 ASSI {  671}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.000     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.698 ppm2      8.716 CV     1
 ASSI {  672}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      6.000     5.000     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.696 ppm2      3.919 CV     1
 ASSI {  673}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      2.500     1.300     1.300 peak   673 spectrum    1 weight  0.10000E+01 volume  0.81188E-02 ppm1      4.698 ppm2      1.022 CV     1
 ASSI {  674}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      2.300     1.200     1.200 peak   674 spectrum    1 weight  0.10000E+01 volume  0.12456E-01 ppm1      3.923 ppm2      1.022 CV     1
 ASSI {  675}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.900     1.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.60378E-03 ppm1      1.024 ppm2      8.719 CV     1
 ASSI {  676}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.700     1.700 peak   676 spectrum    1 weight  0.10000E+01 volume  0.27844E-02 ppm1      1.756 ppm2      8.956 CV     1
 ASSI {  677}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.900     1.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      1.543 ppm2      8.955 CV     1
 ASSI {  678}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      6.000     5.000     0.000 peak   678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      8.956 CV     1
 ASSI {  679}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     1.400     1.400 peak   679 spectrum    1 weight  0.10000E+01 volume  0.65214E-02 ppm1      4.737 ppm2      8.956 CV     1
 ASSI {  680}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      4.600     3.100     1.400 peak   680 spectrum    1 weight  0.10000E+01 volume  0.20370E-03 ppm1      4.728 ppm2      1.747 CV     1
 ASSI {  681}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG  ))
      4.200     2.800     1.800 peak   681 spectrum    1 weight  0.10000E+01 volume  0.40740E-03 ppm1      4.734 ppm2      1.548 CV     1
 ASSI {  682}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.600     1.400     1.400 peak   682 spectrum    1 weight  0.10000E+01 volume  0.61697E-02 ppm1      4.734 ppm2      1.183 CV     1
 ASSI {  683}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
      6.000     5.000     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.181 ppm2      0.737 CV     1
 ASSI {  684}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      3.000     1.600     1.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.58326E-02 ppm1      4.732 ppm2      0.735 CV     1
 ASSI {  685}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD2%)
      4.000     2.500     2.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.10874E-02 ppm1      4.734 ppm2      0.772 CV     1
 ASSI {  686}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 29   and name HD1%)
      4.400     2.900     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.61257E-03 ppm1      1.752 ppm2      0.736 CV     1
 ASSI {  687}
   (( segid "    " and resid 29   and name HG  ))
   (  segid "    " and resid 29   and name HD1%)
      2.600     1.300     1.300 peak   687 spectrum    1 weight  0.10000E+01 volume  0.57300E-02 ppm1      1.542 ppm2      0.739 CV     1
 ASSI {  688}
   (( segid "    " and resid 29   and name HG  ))
   (  segid "    " and resid 29   and name HD2%)
      2.600     1.300     1.300 peak   688 spectrum    1 weight  0.10000E+01 volume  0.57300E-02 ppm1      1.541 ppm2      0.772 CV     1
 ASSI {  689}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HN  ))
      6.000     5.000     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      8.955 CV     1
 ASSI {  690}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.955 ppm2      8.175 CV     1
 ASSI {  691}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.400     1.200     1.200 peak   691 spectrum    1 weight  0.10000E+01 volume  0.91446E-02 ppm1      4.843 ppm2      1.804 CV     1
 ASSI {  692}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.600     1.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.29603E-02 ppm1      4.842 ppm2      1.693 CV     1
 ASSI {  693}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     5.000     0.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.843 ppm2      1.425 CV     1
 OR {  693}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  694}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.700     1.400     1.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.41913E-02 ppm1      1.803 ppm2      1.426 CV     1
 OR {  694}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI {  695}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
      2.400     1.200     1.200 peak   695 spectrum    1 weight  0.10000E+01 volume  0.10259E-01 ppm1      1.690 ppm2      1.428 CV     1
 OR {  695}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  696}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
      1.600     0.800     0.800 peak   696 spectrum    1 weight  0.10000E+01 volume  0.30775E-01 ppm1      1.804 ppm2      1.695 CV     1
 ASSI {  697}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     5.000     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.709 ppm2      1.691 CV     1
 ASSI {  698}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     5.000     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.617 ppm2      1.692 CV     1
 ASSI {  699}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.700     1.400     1.400 peak   699 spectrum    1 weight  0.10000E+01 volume  0.70342E-02 ppm1      3.709 ppm2      1.806 CV     1
 ASSI {  700}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.900     1.600     1.600 peak   700 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      3.613 ppm2      1.804 CV     1
 ASSI {  701}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     5.000     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.806 ppm2      8.693 CV     1
 ASSI {  702}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.500     1.500 peak   702 spectrum    1 weight  0.10000E+01 volume  0.26232E-02 ppm1      1.690 ppm2      8.693 CV     1
 ASSI {  703}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.800     1.800 peak   703 spectrum    1 weight  0.10000E+01 volume  0.31801E-02 ppm1      1.428 ppm2      8.694 CV     1
 OR {  703}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  704}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     5.000     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      1.320 CV     1
 ASSI {  705}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     5.000     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.539 ppm2      1.274 CV     1
 ASSI {  706}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      1.700     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.32534E-01 ppm1      2.617 ppm2      2.454 CV     1
 ASSI {  707}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      5.000     3.600     1.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.26672E-03 ppm1      0.902 ppm2      9.908 CV     1
 ASSI {  708}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.800     1.800 peak   708 spectrum    1 weight  0.10000E+01 volume  0.95696E-03 ppm1      1.248 ppm2      9.908 CV     1
 OR {  708}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  709}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.500     2.100     2.100 peak   709 spectrum    1 weight  0.10000E+01 volume  0.14127E-02 ppm1      1.408 ppm2      9.909 CV     1
 ASSI {  711}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      4.500     3.000     1.500 peak   711 spectrum    1 weight  0.10000E+01 volume  0.38102E-03 ppm1      0.688 ppm2      9.533 CV     1
 OR {  711}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  713}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      4.800     3.300     1.200 peak   713 spectrum    1 weight  0.10000E+01 volume  0.24473E-03 ppm1      1.298 ppm2      9.466 CV     1
 ASSI {  714}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      3.500     2.000     2.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.49387E-03 ppm1      1.408 ppm2      9.466 CV     1
 ASSI {  715}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     2.100     2.100 peak   715 spectrum    1 weight  0.10000E+01 volume  0.21103E-02 ppm1      1.679 ppm2      9.534 CV     1
 ASSI {  717}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      4.300     2.800     1.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.42352E-03 ppm1      1.748 ppm2      9.531 CV     1
 OR {  717}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  718}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.400     2.900     1.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.86026E-03 ppm1      2.466 ppm2      9.619 CV     1
 ASSI {  719}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     2.000     2.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.13952E-02 ppm1      3.755 ppm2      9.908 CV     1
 OR {  719}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  722}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      4.200     2.700     1.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.66972E-03 ppm1      4.576 ppm2      9.616 CV     1
 ASSI {  723}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      5.100     3.800     0.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.16413E-03 ppm1      4.640 ppm2      9.460 CV     1
 ASSI {  724}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      4.200     2.700     1.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.50706E-03 ppm1      4.847 ppm2      9.616 CV     1
 ASSI {  725}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     2.000     2.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      5.260 ppm2      9.614 CV     1
 ASSI {  726}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.900     1.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.16413E-02 ppm1      5.566 ppm2      9.532 CV     1
 ASSI {  727}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.700     1.700 peak   727 spectrum    1 weight  0.10000E+01 volume  0.28137E-02 ppm1      6.596 ppm2      9.616 CV     1
 ASSI {  728}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 47   and name HN  ))
      2.700     1.400     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.44697E-02 ppm1      6.800 ppm2      9.616 CV     1
 ASSI {  729}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 47   and name HN  ))
      3.700     2.200     2.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.89983E-03 ppm1      6.979 ppm2      9.616 CV     1
 ASSI {  730}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.600     1.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.29016E-02 ppm1      8.472 ppm2      9.907 CV     1
 ASSI {  731}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     1.400     1.400 peak   731 spectrum    1 weight  0.10000E+01 volume  0.49826E-02 ppm1      8.697 ppm2      9.617 CV     1
 ASSI {  732}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.800     3.300     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.21543E-03 ppm1      8.101 ppm2      9.531 CV     1
 ASSI {  737}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.100     2.600     1.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.53343E-03 ppm1      9.090 ppm2      8.541 CV     1
 ASSI {  738}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.600     1.600 peak   738 spectrum    1 weight  0.10000E+01 volume  0.28137E-02 ppm1      8.396 ppm2      9.135 CV     1
 ASSI {  740}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      5.100     3.700     0.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.24473E-03 ppm1      2.975 ppm2      9.184 CV     1
 OR {  740}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  741}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.800     1.800 peak   741 spectrum    1 weight  0.10000E+01 volume  0.22128E-02 ppm1      8.210 ppm2      9.055 CV     1
 ASSI {  745}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 59   and name HN  ))
      3.800     2.300     2.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.69905E-03 ppm1      7.103 ppm2      8.950 CV     1
 ASSI {  746}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 31   and name HN  ))
      4.400     2.900     1.600 peak   746 spectrum    1 weight  0.10000E+01 volume  0.31215E-03 ppm1      7.103 ppm2      9.184 CV     1
 ASSI {  748}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 16   and name HN  ))
      4.600     3.100     1.400 peak   748 spectrum    1 weight  0.10000E+01 volume  0.47189E-03 ppm1      6.977 ppm2      8.691 CV     1
 ASSI {  751}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 16   and name HN  ))
      4.500     3.000     1.500 peak   751 spectrum    1 weight  0.10000E+01 volume  0.24327E-03 ppm1      6.794 ppm2      8.694 CV     1
 ASSI {  753}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.700     1.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.60671E-03 ppm1      6.593 ppm2      8.726 CV     1
 ASSI {  755}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 67   and name HN  ))
      3.600     2.100     2.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.93202E-03 ppm1      6.747 ppm2      8.543 CV     1
 ASSI {  756}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.700     1.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.21103E-02 ppm1      4.696 ppm2      9.055 CV     1
 ASSI {  757}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      4.800     3.400     1.200 peak   757 spectrum    1 weight  0.10000E+01 volume  0.23888E-03 ppm1      4.473 ppm2      9.055 CV     1
 ASSI {  759}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     2.300     2.200 peak   759 spectrum    1 weight  0.10000E+01 volume  0.84557E-03 ppm1      4.013 ppm2      9.056 CV     1
 ASSI {  765}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 40   and name HN  ))
      5.200     3.900     0.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.20956E-03 ppm1      2.312 ppm2      9.055 CV     1
 ASSI {  766}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
      4.600     3.100     1.400 peak   766 spectrum    1 weight  0.10000E+01 volume  0.32973E-03 ppm1      2.230 ppm2      9.055 CV     1
 ASSI {  767}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HN  ))
      2.600     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.72393E-02 ppm1      1.427 ppm2      8.956 CV     1
 ASSI {  768}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 40   and name HN  ))
      3.900     2.400     2.100 peak   768 spectrum    1 weight  0.10000E+01 volume  0.83826E-03 ppm1      1.300 ppm2      9.054 CV     1
 ASSI {  769}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      4.500     3.000     1.500 peak   769 spectrum    1 weight  0.10000E+01 volume  0.53343E-03 ppm1      1.199 ppm2      9.055 CV     1
 ASSI {  770}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.325 ppm2      9.185 CV     1
 ASSI {  771}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     2.000     2.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.49826E-03 ppm1      1.549 ppm2      8.803 CV     1
 ASSI {  772}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.900     1.900 peak   772 spectrum    1 weight  0.10000E+01 volume  0.62869E-03 ppm1      1.271 ppm2      8.877 CV     1
 ASSI {  773}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 61   and name HN  ))
      3.100     1.700     1.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.22128E-02 ppm1      0.971 ppm2      8.955 CV     1
 ASSI {  774}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      5.400     4.100     0.600 peak   774 spectrum    1 weight  0.10000E+01 volume  0.15534E-03 ppm1      1.025 ppm2      9.057 CV     1
 ASSI {  775}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      3.500     2.000     2.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.48361E-03 ppm1      0.904 ppm2      9.055 CV     1
 ASSI {  777}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.800     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.49680E-03 ppm1      0.840 ppm2      9.182 CV     1
 ASSI {  778}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 62   and name HN  ))
      5.000     3.600     1.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.20956E-03 ppm1      0.601 ppm2      8.723 CV     1
 ASSI {  779}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      3.200     1.800     1.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      0.689 ppm2      8.721 CV     1
 ASSI {  780}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HN  ))
      4.700     3.300     1.300 peak   780 spectrum    1 weight  0.10000E+01 volume  0.40301E-03 ppm1      0.835 ppm2      8.952 CV     1
 ASSI {  781}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
      4.600     3.200     1.400 peak   781 spectrum    1 weight  0.10000E+01 volume  0.87632E-04 ppm1     -0.018 ppm2      8.723 CV     1
 ASSI {  782}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      5.100     3.700     0.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.14450E-03 ppm1     -0.018 ppm2      9.181 CV     1
 ASSI {  786}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      4.100     2.600     1.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.91740E-03 ppm1      0.917 ppm2      8.010 CV     1
 ASSI {  787}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      5.500     4.200     0.500 peak   787 spectrum    1 weight  0.10000E+01 volume  0.11826E-03 ppm1      0.682 ppm2      8.098 CV     1
 ASSI {  788}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      3.500     2.000     2.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.17439E-02 ppm1      0.697 ppm2      8.245 CV     1
 OR {  788}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  789}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.500     2.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.95546E-03 ppm1      0.928 ppm2      8.237 CV     1
 OR {  789}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  790}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.900     1.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.38395E-03 ppm1      1.028 ppm2      8.236 CV     1
 ASSI {  792}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.700     2.200     2.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.16267E-02 ppm1      0.917 ppm2      8.541 CV     1
 ASSI {  794}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      4.100     2.600     1.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.17586E-03 ppm1      1.118 ppm2      7.915 CV     1
 ASSI {  795}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      4.800     3.400     1.200 peak   795 spectrum    1 weight  0.10000E+01 volume  0.70048E-04 ppm1      1.005 ppm2      7.913 CV     1
 ASSI {  796}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      4.400     2.900     1.600 peak   796 spectrum    1 weight  0.10000E+01 volume  0.11592E-03 ppm1      0.786 ppm2      7.916 CV     1
 ASSI {  797}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.500     2.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.21835E-03 ppm1      1.208 ppm2      8.131 CV     1
 ASSI {  798}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      3.900     2.400     2.100 peak   798 spectrum    1 weight  0.10000E+01 volume  0.62576E-03 ppm1      1.408 ppm2      8.010 CV     1
 ASSI {  799}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      4.900     3.400     1.100 peak   799 spectrum    1 weight  0.10000E+01 volume  0.66679E-04 ppm1      1.465 ppm2      7.874 CV     1
 ASSI {  800}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      5.900     4.900     0.100 peak   800 spectrum    1 weight  0.10000E+01 volume  0.13981E-03 ppm1      0.868 ppm2      8.234 CV     1
 ASSI {  801}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     2.200     2.200 peak   801 spectrum    1 weight  0.10000E+01 volume  0.66386E-03 ppm1      1.671 ppm2      8.096 CV     1
 ASSI {  802}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.800     1.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.44990E-03 ppm1      1.900 ppm2      8.233 CV     1
 ASSI {  803}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     2.100     2.100 peak   803 spectrum    1 weight  0.10000E+01 volume  0.15387E-02 ppm1      2.017 ppm2      8.236 CV     1
 ASSI {  805}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      5.500     4.300     0.500 peak   805 spectrum    1 weight  0.10000E+01 volume  0.81331E-04 ppm1      2.066 ppm2      7.876 CV     1
 ASSI {  806}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      4.000     2.500     2.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.88220E-03 ppm1      2.456 ppm2      8.334 CV     1
 ASSI {  807}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      5.000     3.600     1.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.63455E-03 ppm1      2.664 ppm2      8.010 CV     1
 OR {  807}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  808}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      5.300     4.000     0.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.20956E-03 ppm1      2.783 ppm2      7.915 CV     1
 ASSI {  809}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      4.000     2.500     2.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.54223E-03 ppm1      2.626 ppm2      8.211 CV     1
 ASSI {  810}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      5.100     3.700     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.28430E-03 ppm1      2.734 ppm2      8.255 CV     1
 ASSI {  811}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     5.000     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.890 ppm2      7.914 CV     1
 ASSI {  812}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.800     2.300     2.200 peak   812 spectrum    1 weight  0.10000E+01 volume  0.87783E-03 ppm1      3.113 ppm2      8.396 CV     1
 ASSI {  813}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.900     1.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.25646E-02 ppm1      3.277 ppm2      8.347 CV     1
 ASSI {  815}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.800     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.13322E-03 ppm1      3.138 ppm2      8.544 CV     1
 ASSI {  816}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10654E-01 ppm1      2.820 ppm2      8.097 CV     1
 ASSI {  817}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     2.000     2.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.25939E-02 ppm1      3.436 ppm2      8.234 CV     1
 ASSI {  818}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.900     2.400     2.100 peak   818 spectrum    1 weight  0.10000E+01 volume  0.12456E-02 ppm1      3.787 ppm2      8.256 CV     1
 ASSI {  822}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.500     3.000     1.500 peak   822 spectrum    1 weight  0.10000E+01 volume  0.65507E-03 ppm1      4.275 ppm2      7.876 CV     1
 ASSI {  823}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.600     1.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      4.196 ppm2      8.718 CV     1
 ASSI {  824}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     1.200     1.200 peak   824 spectrum    1 weight  0.10000E+01 volume  0.11489E-01 ppm1      4.565 ppm2      8.329 CV     1
 ASSI {  825}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     1.200     1.200 peak   825 spectrum    1 weight  0.10000E+01 volume  0.10112E-01 ppm1      4.707 ppm2      8.096 CV     1
 ASSI {  826}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      4.200     2.700     1.800 peak   826 spectrum    1 weight  0.10000E+01 volume  0.44258E-03 ppm1      5.441 ppm2      8.469 CV     1
 ASSI {  827}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.800     2.300     2.200 peak   827 spectrum    1 weight  0.10000E+01 volume  0.75324E-03 ppm1      5.566 ppm2      8.698 CV     1
 ASSI {  828}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     2.100     2.100 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10669E-02 ppm1      5.755 ppm2      8.541 CV     1
 ASSI {  831}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 48   and name HN  ))
      3.600     2.100     2.100 peak   831 spectrum    1 weight  0.10000E+01 volume  0.89539E-03 ppm1      6.979 ppm2      8.350 CV     1
 ASSI {  832}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.500     2.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.89833E-03 ppm1      6.803 ppm2      8.099 CV     1
 ASSI {  833}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
      3.600     2.100     2.100 peak   833 spectrum    1 weight  0.10000E+01 volume  0.42352E-03 ppm1      6.750 ppm2      8.011 CV     1
 ASSI {  834}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HN  ))
      2.600     1.400     1.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.53783E-02 ppm1      6.979 ppm2      8.011 CV     1
 ASSI {  836}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HN  ))
      3.700     2.200     2.200 peak   836 spectrum    1 weight  0.10000E+01 volume  0.72980E-03 ppm1      7.565 ppm2      8.259 CV     1
 ASSI {  837}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HN  ))
      4.400     2.900     1.600 peak   837 spectrum    1 weight  0.10000E+01 volume  0.42059E-03 ppm1      7.564 ppm2      8.720 CV     1
 ASSI {  838}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.800     3.400     1.200 peak   838 spectrum    1 weight  0.10000E+01 volume  0.17146E-03 ppm1      8.003 ppm2      7.465 CV     1
 ASSI {  840}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 65   and name HD21))
      5.000     3.600     1.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.12442E-03 ppm1      8.346 ppm2      7.565 CV     1
 ASSI {  842}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.900     3.400     1.100 peak   842 spectrum    1 weight  0.10000E+01 volume  0.34585E-03 ppm1      8.410 ppm2      7.710 CV     1
 ASSI {  846}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.700     3.200     1.300 peak   846 spectrum    1 weight  0.10000E+01 volume  0.27258E-03 ppm1      8.952 ppm2      7.912 CV     1
 ASSI {  847}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.900     1.600 peak   847 spectrum    1 weight  0.10000E+01 volume  0.38542E-03 ppm1      8.701 ppm2      7.807 CV     1
 ASSI {  849}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HD21))
      6.000     5.200     0.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.80600E-04 ppm1      8.720 ppm2      7.650 CV     1
 ASSI {  850}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.600     2.100     2.100 peak   850 spectrum    1 weight  0.10000E+01 volume  0.96428E-03 ppm1      8.874 ppm2      7.648 CV     1
 ASSI {  853}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     2.400     2.100 peak   853 spectrum    1 weight  0.10000E+01 volume  0.88951E-03 ppm1      9.135 ppm2      8.098 CV     1
 ASSI {  854}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     1.400     1.400 peak   854 spectrum    1 weight  0.10000E+01 volume  0.51878E-02 ppm1      9.122 ppm2      8.233 CV     1
 ASSI {  858}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.800     3.300     1.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.18172E-03 ppm1      8.691 ppm2      8.233 CV     1
 ASSI {  861}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      5.100     3.700     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.31361E-03 ppm1      5.749 ppm2      7.713 CV     1
 ASSI {  862}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.800     1.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.77962E-03 ppm1      4.960 ppm2      7.464 CV     1
 ASSI {  863}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      5.500     4.300     0.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.14142E-03 ppm1      4.830 ppm2      7.913 CV     1
 ASSI {  864}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 65   and name HD21))
      5.000     3.600     1.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.12134E-03 ppm1      4.562 ppm2      7.566 CV     1
 ASSI {  865}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.500     3.100     1.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.48361E-03 ppm1      4.329 ppm2      7.645 CV     1
 ASSI {  866}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.800     2.300     2.200 peak   866 spectrum    1 weight  0.10000E+01 volume  0.14420E-02 ppm1      4.267 ppm2      7.713 CV     1
 ASSI {  868}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     2.100     2.100 peak   868 spectrum    1 weight  0.10000E+01 volume  0.13131E-02 ppm1      3.789 ppm2      7.714 CV     1
 ASSI {  869}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      4.500     3.000     1.500 peak   869 spectrum    1 weight  0.10000E+01 volume  0.46309E-03 ppm1      3.138 ppm2      7.464 CV     1
 ASSI {  870}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.700     2.200     2.200 peak   870 spectrum    1 weight  0.10000E+01 volume  0.96428E-03 ppm1      3.074 ppm2      7.467 CV     1
 ASSI {  871}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.500     1.500 peak   871 spectrum    1 weight  0.10000E+01 volume  0.41033E-02 ppm1      2.818 ppm2      7.805 CV     1
 ASSI {  872}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HD21))
      3.800     2.300     2.200 peak   872 spectrum    1 weight  0.10000E+01 volume  0.60817E-03 ppm1      2.923 ppm2      7.591 CV     1
 ASSI {  874}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.900     3.500     1.100 peak   874 spectrum    1 weight  0.10000E+01 volume  0.13263E-03 ppm1      2.461 ppm2      7.465 CV     1
 ASSI {  875}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 65   and name HD21))
      5.300     4.000     0.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.89396E-04 ppm1      2.456 ppm2      7.562 CV     1
 ASSI {  876}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.600     2.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.61403E-03 ppm1      1.899 ppm2      7.874 CV     1
 ASSI {  879}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 65   and name HD21))
      6.000     6.000     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.45430E-04 ppm1      1.079 ppm2      7.562 CV     1
 ASSI {  880}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 39   and name HE21))
      4.200     2.700     1.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.43085E-03 ppm1      1.024 ppm2      7.401 CV     1
 ASSI {  881}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 39   and name HE21))
      4.700     3.300     1.300 peak   881 spectrum    1 weight  0.10000E+01 volume  0.19637E-03 ppm1      1.303 ppm2      7.402 CV     1
 ASSI {  883}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.500     2.000     2.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.17000E-02 ppm1      0.680 ppm2      7.805 CV     1
 ASSI {  884}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      4.400     2.900     1.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.30042E-03 ppm1      0.688 ppm2      7.713 CV     1
 ASSI {  886}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      4.500     3.000     1.500 peak   886 spectrum    1 weight  0.10000E+01 volume  0.29749E-03 ppm1      0.702 ppm2      7.648 CV     1
 ASSI {  887}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 65   and name HD21))
      4.000     2.500     2.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.59645E-03 ppm1      0.693 ppm2      7.563 CV     1
 ASSI {  888}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 15   and name HE% )
      4.100     2.600     1.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.68730E-03 ppm1      0.555 ppm2      6.747 CV     1
 ASSI {  889}
   (  segid "    " and resid 67   and name HG1%)
   (  segid "    " and resid 15   and name HE% )
      3.000     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.33120E-02 ppm1      0.670 ppm2      6.745 CV     1
 ASSI {  890}
   (  segid "    " and resid 67   and name HG2%)
   (  segid "    " and resid 15   and name HE% )
      3.300     1.800     1.800 peak   890 spectrum    1 weight  0.10000E+01 volume  0.17586E-02 ppm1      0.817 ppm2      6.747 CV     1
 ASSI {  891}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 15   and name HE% )
      2.900     1.600     1.600 peak   891 spectrum    1 weight  0.10000E+01 volume  0.41473E-02 ppm1      0.918 ppm2      6.747 CV     1
 ASSI {  893}
   (  segid "    " and resid 33   and name HG1%)
   (  segid "    " and resid 18   and name HD% )
      3.300     1.900     1.900 peak   893 spectrum    1 weight  0.10000E+01 volume  0.29163E-02 ppm1      0.826 ppm2      6.804 CV     1
 ASSI {  894}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 18   and name HD% )
      3.600     2.100     2.100 peak   894 spectrum    1 weight  0.10000E+01 volume  0.15534E-02 ppm1      0.997 ppm2      6.801 CV     1
 ASSI {  895}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 15   and name HD% )
      2.800     1.500     1.500 peak   895 spectrum    1 weight  0.10000E+01 volume  0.56421E-02 ppm1      0.915 ppm2      6.977 CV     1
 ASSI {  896}
   (  segid "    " and resid 67   and name HG2%)
   (  segid "    " and resid 15   and name HD% )
      3.400     1.900     1.900 peak   896 spectrum    1 weight  0.10000E+01 volume  0.61990E-03 ppm1      0.810 ppm2      6.978 CV     1
 ASSI {  897}
   (  segid "    " and resid 67   and name HG1%)
   (  segid "    " and resid 15   and name HD% )
      2.600     1.400     1.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.29016E-02 ppm1      0.670 ppm2      6.977 CV     1
 ASSI {  898}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 15   and name HD% )
      3.800     2.300     2.200 peak   898 spectrum    1 weight  0.10000E+01 volume  0.96722E-03 ppm1      0.554 ppm2      6.978 CV     1
 ASSI {  899}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 65   and name HD22))
      4.200     2.700     1.800 peak   899 spectrum    1 weight  0.10000E+01 volume  0.48215E-03 ppm1      0.691 ppm2      7.039 CV     1
 ASSI {  901}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 58   and name HE% )
      2.600     1.300     1.300 peak   901 spectrum    1 weight  0.10000E+01 volume  0.28137E-02 ppm1      0.839 ppm2      7.200 CV     1
 ASSI {  902}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 58   and name HE% )
      3.300     1.800     1.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.75030E-03 ppm1      1.006 ppm2      7.199 CV     1
 ASSI {  903}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 58   and name HD% )
      2.800     1.400     1.400 peak   903 spectrum    1 weight  0.10000E+01 volume  0.19931E-02 ppm1      1.007 ppm2      7.102 CV     1
 ASSI {  904}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      2.800     1.500     1.500 peak   904 spectrum    1 weight  0.10000E+01 volume  0.29456E-02 ppm1      1.081 ppm2      6.745 CV     1
 ASSI {  905}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 15   and name HD% )
      3.000     1.600     1.600 peak   905 spectrum    1 weight  0.10000E+01 volume  0.19931E-02 ppm1      1.080 ppm2      6.979 CV     1
 ASSI {  906}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 58   and name HD% )
      2.500     1.300     1.300 peak   906 spectrum    1 weight  0.10000E+01 volume  0.34292E-02 ppm1      1.117 ppm2      7.102 CV     1
 ASSI {  907}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 58   and name HE% )
      3.200     1.800     1.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.77375E-03 ppm1      1.118 ppm2      7.199 CV     1
 ASSI {  909}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 15   and name HD% )
      2.500     1.300     1.300 peak   909 spectrum    1 weight  0.10000E+01 volume  0.55542E-02 ppm1      1.408 ppm2      6.977 CV     1
 ASSI {  913}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
      3.200     1.800     1.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.29603E-02 ppm1      1.437 ppm2      6.745 CV     1
 OR {  913}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 15   and name HE% )
 OR {  913}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI {  914}
   (( segid "    " and resid 60   and name HG13))
   (  segid "    " and resid 58   and name HE% )
      3.300     1.800     1.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.69755E-03 ppm1      1.509 ppm2      7.197 CV     1
 ASSI {  915}
   (( segid "    " and resid 60   and name HG13))
   (  segid "    " and resid 58   and name HD% )
      4.300     2.900     1.700 peak   915 spectrum    1 weight  0.10000E+01 volume  0.13043E-03 ppm1      1.511 ppm2      7.099 CV     1
 ASSI {  917}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 18   and name HD% )
      4.800     3.400     1.200 peak   917 spectrum    1 weight  0.10000E+01 volume  0.25792E-03 ppm1      1.912 ppm2      6.800 CV     1
 ASSI {  919}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 58   and name HE% )
      3.500     2.100     2.100 peak   919 spectrum    1 weight  0.10000E+01 volume  0.10405E-02 ppm1      2.458 ppm2      7.200 CV     1
 OR {  919}
   (( segid "    " and resid 21   and name HG3 ))
   (  segid "    " and resid 58   and name HE% )
 ASSI {  920}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      4.600     3.100     1.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.42352E-03 ppm1      2.622 ppm2      7.212 CV     1
 ASSI {  921}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 58   and name HD% )
      4.300     2.800     1.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.35318E-03 ppm1      2.464 ppm2      7.105 CV     1
 OR {  921}
   (( segid "    " and resid 21   and name HG3 ))
   (  segid "    " and resid 58   and name HD% )
 ASSI {  922}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 58   and name HD% )
      6.000     5.000     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.18172E-04 ppm1      2.230 ppm2      7.102 CV     1
 ASSI {  924}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
      5.600     4.500     0.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.88220E-04 ppm1      2.456 ppm2      7.039 CV     1
 ASSI {  926}
   (( segid "    " and resid 67   and name HB  ))
   (  segid "    " and resid 15   and name HE% )
      4.900     3.500     1.100 peak   926 spectrum    1 weight  0.10000E+01 volume  0.16120E-03 ppm1      2.030 ppm2      6.745 CV     1
 ASSI {  927}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      4.900     3.500     1.100 peak   927 spectrum    1 weight  0.10000E+01 volume  0.21543E-03 ppm1      2.665 ppm2      6.745 CV     1
 OR {  927}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI {  928}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 15   and name HD% )
      4.100     2.600     1.900 peak   928 spectrum    1 weight  0.10000E+01 volume  0.75912E-03 ppm1      2.661 ppm2      6.976 CV     1
 OR {  928}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
 ASSI {  929}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 15   and name HD% )
      5.200     3.900     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.20077E-03 ppm1      2.616 ppm2      6.976 CV     1
 ASSI {  930}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      6.000     5.300     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.99216E-04 ppm1      2.615 ppm2      6.745 CV     1
 ASSI {  931}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
      4.200     2.700     1.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.40008E-03 ppm1      2.731 ppm2      7.040 CV     1
 ASSI {  932}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 65   and name HD22))
      4.000     2.500     2.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.59352E-03 ppm1      2.813 ppm2      7.038 CV     1
 ASSI {  933}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 15   and name HD% )
      3.900     2.400     2.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.11269E-02 ppm1      2.798 ppm2      6.977 CV     1
 ASSI {  934}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      3.000     1.700     1.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.25792E-02 ppm1      2.887 ppm2      6.803 CV     1
 ASSI {  935}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      2.900     1.600     1.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.57740E-02 ppm1      3.047 ppm2      6.800 CV     1
 ASSI {  939}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      2.400     1.200     1.200 peak   939 spectrum    1 weight  0.10000E+01 volume  0.88220E-02 ppm1      3.473 ppm2      6.801 CV     1
 ASSI {  940}
   (( segid "    " and resid 30   and name HA1 ))
   (  segid "    " and resid 58   and name HD% )
      4.100     2.600     1.900 peak   940 spectrum    1 weight  0.10000E+01 volume  0.51438E-03 ppm1      3.449 ppm2      7.104 CV     1
 ASSI {  941}
   (( segid "    " and resid 30   and name HA1 ))
   (  segid "    " and resid 58   and name HE% )
      2.900     1.500     1.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.44990E-02 ppm1      3.446 ppm2      7.199 CV     1
 ASSI {  942}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 58   and name HD% )
      4.300     2.800     1.700 peak   942 spectrum    1 weight  0.10000E+01 volume  0.36637E-03 ppm1      3.934 ppm2      7.104 CV     1
 OR {  942}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 58   and name HD% )
 ASSI {  943}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      4.500     3.000     1.500 peak   943 spectrum    1 weight  0.10000E+01 volume  0.40594E-03 ppm1      4.173 ppm2      6.747 CV     1
 ASSI {  944}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      4.200     2.700     1.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.42939E-03 ppm1      4.113 ppm2      6.747 CV     1
 ASSI {  945}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      3.500     2.100     2.100 peak   945 spectrum    1 weight  0.10000E+01 volume  0.11211E-02 ppm1      4.172 ppm2      6.976 CV     1
 ASSI {  946}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      5.000     3.600     1.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.33413E-03 ppm1      4.388 ppm2      6.978 CV     1
 ASSI {  947}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 58   and name HD% )
      3.900     2.400     2.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.63602E-03 ppm1      4.486 ppm2      7.102 CV     1
 ASSI {  948}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 58   and name HD% )
      4.000     2.500     2.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.53783E-03 ppm1      4.614 ppm2      7.102 CV     1
 ASSI {  949}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 65   and name HD22))
      5.300     3.900     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.16560E-03 ppm1      4.568 ppm2      7.042 CV     1
 ASSI {  950}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     2.400     2.100 peak   950 spectrum    1 weight  0.10000E+01 volume  0.13380E-02 ppm1      5.078 ppm2      7.207 CV     1
 ASSI {  951}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      4.100     2.600     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.60378E-03 ppm1      4.944 ppm2      6.801 CV     1
 ASSI {  952}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      4.600     3.100     1.400 peak   952 spectrum    1 weight  0.10000E+01 volume  0.28430E-03 ppm1      4.921 ppm2      6.747 CV     1
 ASSI {  953}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      3.700     2.200     2.200 peak   953 spectrum    1 weight  0.10000E+01 volume  0.13820E-02 ppm1      5.259 ppm2      6.801 CV     1
 ASSI {  954}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      3.600     2.100     2.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.12574E-02 ppm1      5.755 ppm2      6.742 CV     1
 ASSI {  955}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      3.200     1.800     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.23008E-02 ppm1      5.675 ppm2      6.744 CV     1
 ASSI {  956}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      3.500     2.100     2.100 peak   956 spectrum    1 weight  0.10000E+01 volume  0.12324E-02 ppm1      5.563 ppm2      6.800 CV     1
 ASSI {  957}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      3.700     2.200     2.200 peak   957 spectrum    1 weight  0.10000E+01 volume  0.12105E-02 ppm1      5.674 ppm2      6.977 CV     1
 ASSI {  958}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      2.700     1.400     1.400 peak   958 spectrum    1 weight  0.10000E+01 volume  0.40594E-02 ppm1      5.753 ppm2      6.977 CV     1
 ASSI {  959}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      5.100     3.800     0.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.20077E-03 ppm1      5.562 ppm2      6.977 CV     1
 ASSI {  960}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      4.700     3.300     1.300 peak   960 spectrum    1 weight  0.10000E+01 volume  0.27258E-03 ppm1      5.684 ppm2      6.803 CV     1
 ASSI {  961}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.600     2.100     2.100 peak   961 spectrum    1 weight  0.10000E+01 volume  0.11314E-02 ppm1      8.472 ppm2      7.210 CV     1
 ASSI {  962}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 58   and name HE% )
      4.900     3.500     1.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.23447E-03 ppm1      8.740 ppm2      7.197 CV     1
 ASSI {  965}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HD22))
      4.300     2.800     1.700 peak   965 spectrum    1 weight  0.10000E+01 volume  0.30922E-03 ppm1      8.719 ppm2      7.042 CV     1
 ASSI {  967}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      3.400     1.900     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.19198E-02 ppm1      8.543 ppm2      6.980 CV     1
 ASSI {  969}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HD22))
      5.500     4.300     0.500 peak   969 spectrum    1 weight  0.10000E+01 volume  0.12163E-03 ppm1      8.258 ppm2      7.042 CV     1
 ASSI {  970}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 65   and name HD22))
      5.600     4.400     0.400 peak   970 spectrum    1 weight  0.10000E+01 volume  0.12208E-03 ppm1      8.327 ppm2      7.043 CV     1
 ASSI {  971}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HD22))
      6.000     5.300     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.86901E-04 ppm1      8.323 ppm2      6.919 CV     1
 ASSI {  973}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 18   and name HD% )
      3.900     2.400     2.100 peak   973 spectrum    1 weight  0.10000E+01 volume  0.64335E-03 ppm1      8.396 ppm2      6.801 CV     1
 ASSI {  974}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
      3.500     2.000     2.000 peak   974 spectrum    1 weight  0.10000E+01 volume  0.12427E-02 ppm1      8.347 ppm2      6.747 CV     1
 ASSI {  976}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 18   and name HD% )
      3.400     2.000     2.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.12031E-02 ppm1      8.719 ppm2      6.801 CV     1
 ASSI {  977}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HD22))
      4.600     3.100     1.400 peak   977 spectrum    1 weight  0.10000E+01 volume  0.37956E-03 ppm1      8.161 ppm2      6.927 CV     1
 ASSI {  981}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD% )
      3.700     2.200     2.200 peak   981 spectrum    1 weight  0.10000E+01 volume  0.95259E-03 ppm1      7.911 ppm2      7.101 CV     1
 ASSI {  983}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 58   and name HE% )
      4.300     2.800     1.700 peak   983 spectrum    1 weight  0.10000E+01 volume  0.45870E-03 ppm1      9.184 ppm2      7.200 CV     1
 ASSI {  989}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HD% )
      3.600     2.100     2.100 peak   989 spectrum    1 weight  0.10000E+01 volume  0.15827E-02 ppm1      9.133 ppm2      6.803 CV     1
 ASSI {  990}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 65   and name HD22))
      5.600     4.400     0.400 peak   990 spectrum    1 weight  0.10000E+01 volume  0.11431E-03 ppm1      1.383 ppm2      7.042 CV     1
 ASSI {  991}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 18   and name HD% )
      2.900     1.600     1.600 peak   991 spectrum    1 weight  0.10000E+01 volume  0.29896E-02 ppm1     -0.018 ppm2      6.800 CV     1
 ASSI {  992}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 18   and name HE% )
      2.900     1.600     1.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.31507E-02 ppm1     -0.017 ppm2      6.594 CV     1
 ASSI {  993}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 18   and name HE% )
      5.000     3.600     1.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.20517E-03 ppm1      0.688 ppm2      6.592 CV     1
 ASSI {  996}
   (  segid "    " and resid 51   and name HG1%)
   (  segid "    " and resid 18   and name HE% )
      3.500     2.000     2.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.49240E-03 ppm1      0.925 ppm2      6.595 CV     1
 OR {  996}
   (  segid "    " and resid 51   and name HG2%)
   (  segid "    " and resid 18   and name HE% )
 ASSI {  998}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
      2.600     1.300     1.300 peak   998 spectrum    1 weight  0.10000E+01 volume  0.57740E-02 ppm1      1.697 ppm2      6.594 CV     1
 ASSI {  999}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
      3.300     1.800     1.800 peak   999 spectrum    1 weight  0.10000E+01 volume  0.19637E-02 ppm1      1.808 ppm2      6.597 CV     1
 ASSI { 1000}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 18   and name HE% )
      3.800     2.300     2.200 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.30042E-03 ppm1      1.915 ppm2      6.594 CV     1
 ASSI { 1002}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
      4.900     3.500     1.100 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.19051E-03 ppm1      2.896 ppm2      6.595 CV     1
 ASSI { 1003}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
      3.000     1.600     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.41620E-02 ppm1      3.050 ppm2      6.594 CV     1
 ASSI { 1004}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      3.200     1.800     1.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.24766E-02 ppm1      3.472 ppm2      6.594 CV     1
 ASSI { 1005}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     5.000     0.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.174 ppm2      6.594 CV     1
 ASSI { 1007}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.600     3.200     1.400 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.34292E-03 ppm1      4.945 ppm2      6.591 CV     1
 ASSI { 1008}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.500     3.000     1.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.36051E-03 ppm1      4.827 ppm2      6.594 CV     1
 ASSI { 1009}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      6.000     6.000     0.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.21543E-04 ppm1      4.827 ppm2      6.800 CV     1
 ASSI { 1010}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      5.400     4.200     0.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.15681E-03 ppm1      5.255 ppm2      6.595 CV     1
 ASSI { 1011}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     5.500     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.56568E-04 ppm1      5.563 ppm2      6.591 CV     1
 ASSI { 1012}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      3.100     1.700     1.700 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.22862E-02 ppm1      8.703 ppm2      6.597 CV     1
 ASSI { 1013}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      4.600     3.100     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.23447E-03 ppm1      8.425 ppm2      6.600 CV     1
 ASSI { 1014}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      5.200     3.900     0.800 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.11284E-03 ppm1      8.341 ppm2      6.598 CV     1
 ASSI { 1015}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      4.000     2.500     2.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.21982E-03 ppm1      8.099 ppm2      6.595 CV     1
 ASSI { 1016}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.600     1.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.17439E-03 ppm1      5.672 ppm2      9.617 CV     1
 ASSI { 1020}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      4.700     3.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.21543E-03 ppm1      4.692 ppm2      8.497 CV     1
 ASSI { 1022}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.500     3.100     1.500 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.30335E-03 ppm1      3.551 ppm2      8.877 CV     1
 ASSI { 1023}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     1.400     1.400 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.61403E-02 ppm1      3.444 ppm2      9.185 CV     1
 ASSI { 1024}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 40   and name HN  ))
      5.400     4.100     0.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.14157E-03 ppm1      1.442 ppm2      9.055 CV     1
 ASSI { 1028}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      5.600     4.500     0.400 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.10390E-03 ppm1      4.934 ppm2      8.348 CV     1
 ASSI { 1029}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     2.000     2.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      5.671 ppm2      8.347 CV     1
 ASSI { 1030}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 64   and name HN  ))
      5.700     4.500     0.300 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.17879E-03 ppm1      6.891 ppm2      8.410 CV     1
 ASSI { 1034}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.600     1.600 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.24620E-02 ppm1      8.799 ppm2      8.407 CV     1
 ASSI { 1038}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 58   and name HE% )
      3.100     1.700     1.700 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.23447E-02 ppm1      4.612 ppm2      7.197 CV     1
 ASSI { 1039}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD% )
      5.200     3.900     0.800 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.12398E-03 ppm1      8.392 ppm2      7.102 CV     1
 ASSI { 1042}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 34   and name HA1 ))
      1.600     0.800     0.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.43085E-01 ppm1      4.078 ppm2      2.820 CV     1
 ASSI { 1043}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     1.300     1.300 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.63748E-02 ppm1      2.222 ppm2      1.668 CV     1
 OR { 1043}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1044}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.700     0.900     0.900 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.28284E-01 ppm1      1.997 ppm2      1.671 CV     1
 ASSI { 1047}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     5.000     0.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.223 ppm2      5.262 CV     1
 OR { 1047}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1048}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HB3 ))
      2.300     1.200     1.200 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.11562E-01 ppm1      2.224 ppm2      1.994 CV     1
 OR { 1048}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB3 ))
 ASSI { 1049}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     3.100     1.500 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.27844E-03 ppm1      5.258 ppm2      8.698 CV     1
 ASSI { 1050}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      4.900     3.600     1.100 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.19344E-03 ppm1      5.442 ppm2      8.394 CV     1
 ASSI { 1051}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      5.100     3.800     0.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.16413E-03 ppm1      5.443 ppm2      8.900 CV     1
 ASSI { 1055}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.800     1.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      1.178 ppm2      8.957 CV     1
 ASSI { 1056}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB  ))
      6.000     5.000     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.199 ppm2      1.433 CV     1
 ASSI { 1057}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG13))
      6.000     5.000     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.199 ppm2      0.974 CV     1
 ASSI { 1058}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HG13))
      2.900     1.500     1.500 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.28870E-02 ppm1      1.432 ppm2      0.975 CV     1
 ASSI { 1059}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 61   and name HG2%)
      6.000     5.000     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.432 ppm2      0.690 CV     1
 ASSI { 1060}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HG12))
      6.000     5.000     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.432 ppm2      0.598 CV     1
 ASSI { 1061}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 61   and name HG12))
      1.800     0.900     0.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.17586E-01 ppm1      0.971 ppm2      0.601 CV     1
 ASSI { 1062}
   (( segid "    " and resid 61   and name HG13))
   (  segid "    " and resid 61   and name HD1%)
      2.400     1.200     1.200 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.95109E-02 ppm1      0.963 ppm2     -0.015 CV     1
 ASSI { 1063}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.500     1.500 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.38689E-02 ppm1      1.429 ppm2     -0.016 CV     1
 ASSI { 1065}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      8.953 CV     1
 ASSI { 1066}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.278 ppm2      0.828 CV     1
 ASSI { 1067}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.000     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      0.828 CV     1
 ASSI { 1068}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      0.785 CV     1
 ASSI { 1069}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     5.000     0.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.280 ppm2      0.787 CV     1
 ASSI { 1070}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      3.100     1.700     1.700 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.39421E-02 ppm1      4.481 ppm2      0.785 CV     1
 ASSI { 1071}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      3.900     2.400     2.100 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.84994E-03 ppm1      4.481 ppm2      0.830 CV     1
 ASSI { 1072}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      5.300     4.000     0.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.13438E-03 ppm1      5.256 ppm2      8.095 CV     1
 ASSI { 1073}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     5.000     0.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.69023E-04 ppm1      5.258 ppm2      8.616 CV     1
 ASSI { 1074}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.443 ppm2      8.738 CV     1
 ASSI { 1075}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HA1 ))
      1.800     0.900     0.900 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.24620E-01 ppm1      4.610 ppm2      3.446 CV     1
 ASSI { 1076}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 35   and name HN  ))
      5.300     4.000     0.700 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.19051E-03 ppm1      1.452 ppm2      7.805 CV     1
 ASSI { 1077}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 9    and name HN  ))
      5.600     4.500     0.400 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.93646E-04 ppm1      1.460 ppm2      7.645 CV     1
 ASSI { 1078}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HE21))
      3.500     2.000     2.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.47628E-03 ppm1      1.405 ppm2      7.519 CV     1
 ASSI { 1080}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      5.100     3.800     0.900 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.14552E-03 ppm1      4.478 ppm2      9.185 CV     1
 ASSI { 1085}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.600     1.900 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.19051E-03 ppm1     -0.016 ppm2      9.616 CV     1
 ASSI { 1086}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      4.700     3.200     1.300 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.85732E-04 ppm1     -0.017 ppm2      9.530 CV     1
 ASSI { 1088}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     5.000     0.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      8.409 CV     1
 ASSI { 1089}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.600     2.100     2.100 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.82944E-03 ppm1      4.700 ppm2      8.875 CV     1
 ASSI { 1090}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      4.900     3.500     1.100 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.13688E-03 ppm1      3.140 ppm2      9.618 CV     1
 ASSI { 1092}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      5.200     3.900     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.11958E-03 ppm1      1.747 ppm2      9.907 CV     1
 OR { 1092}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1093}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      5.400     4.100     0.600 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.14567E-03 ppm1      3.470 ppm2      9.534 CV     1
 ASSI { 1094}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      5.400     4.200     0.600 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.11182E-03 ppm1      4.908 ppm2      9.534 CV     1
 ASSI { 1095}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      4.900     3.600     1.100 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.15387E-03 ppm1      1.754 ppm2      8.541 CV     1
 OR { 1095}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1099}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.800     1.500     1.500 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.67705E-02 ppm1      4.566 ppm2      2.618 CV     1
 ASSI { 1100}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.400     1.200     1.200 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.96865E-02 ppm1      4.567 ppm2      2.455 CV     1
 ASSI { 1101}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.900     1.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.16560E-02 ppm1      4.015 ppm2      2.625 CV     1
 ASSI { 1102}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      4.300     2.800     1.700 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.59352E-03 ppm1      4.167 ppm2      2.452 CV     1
 ASSI { 1105}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 33   and name HA  ))
      5.000     3.600     1.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.56128E-03 ppm1      4.080 ppm2      3.472 CV     1
 ASSI { 1107}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 6    and name HA1 ))
      1.900     1.000     1.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.15241E-01 ppm1      4.703 ppm2      4.005 CV     1
 ASSI { 1108}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.500     1.300     1.300 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.67998E-02 ppm1      4.703 ppm2      3.546 CV     1
 ASSI { 1109}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      4.800     3.400     1.200 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.47628E-03 ppm1      4.945 ppm2      3.472 CV     1
 ASSI { 1110}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 30   and name HA1 ))
      4.100     2.600     1.900 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.50266E-03 ppm1      4.840 ppm2      3.449 CV     1
 ASSI { 1111}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 7    and name HD3 ))
      3.300     1.900     1.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.12501E-02 ppm1      4.703 ppm2      3.744 CV     1
 ASSI { 1112}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.600     1.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.31068E-02 ppm1      4.711 ppm2      3.470 CV     1
 ASSI { 1113}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      4.200     2.700     1.800 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.46309E-03 ppm1      5.443 ppm2      3.006 CV     1
 ASSI { 1115}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.800     3.400     1.200 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.43671E-03 ppm1      5.564 ppm2      2.463 CV     1
 ASSI { 1116}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.900     3.400     1.100 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.45577E-03 ppm1      5.263 ppm2      2.623 CV     1
 ASSI { 1119}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.700     3.200     1.300 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.66386E-03 ppm1      5.442 ppm2      2.731 CV     1
 ASSI { 1121}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      4.100     2.600     1.900 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.56275E-03 ppm1      5.075 ppm2      2.809 CV     1
 ASSI { 1123}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      4.800     3.400     1.200 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.22275E-03 ppm1      4.841 ppm2      3.073 CV     1
 ASSI { 1124}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.800     2.300     2.200 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.31361E-03 ppm1      4.489 ppm2      2.972 CV     1
 OR { 1124}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI { 1126}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      4.400     2.900     1.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.55102E-03 ppm1      4.398 ppm2      2.979 CV     1
 OR { 1126}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI { 1127}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.600     3.200     1.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.45283E-03 ppm1      4.235 ppm2      2.664 CV     1
 OR { 1127}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI { 1129}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 40   and name HB3 ))
      4.800     3.400     1.200 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.26672E-03 ppm1      4.012 ppm2      3.016 CV     1
 ASSI { 1130}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 10   and name HB3 ))
      4.400     2.900     1.600 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.61403E-03 ppm1      3.620 ppm2      3.074 CV     1
 ASSI { 1131}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.600     2.100     2.100 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.15827E-02 ppm1      3.619 ppm2      2.689 CV     1
 ASSI { 1132}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
      3.700     2.200     2.200 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.14625E-02 ppm1      3.789 ppm2      3.009 CV     1
 ASSI { 1134}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.900     1.900 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.34732E-02 ppm1      2.801 ppm2      2.456 CV     1
 ASSI { 1135}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.800     2.300     2.200 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      2.933 ppm2      2.460 CV     1
 ASSI { 1136}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 32   and name HB  ))
      4.000     2.500     2.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.75769E-03 ppm1      3.106 ppm2      2.242 CV     1
 ASSI { 1137}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB  ))
      2.500     1.300     1.300 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.82944E-02 ppm1      4.947 ppm2      2.239 CV     1
 ASSI { 1144}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HD2 ))
      3.500     2.000     2.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.26525E-02 ppm1      4.905 ppm2      1.601 CV     1
 OR { 1144}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HD3 ))
 ASSI { 1145}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      4.400     2.900     1.600 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.46455E-03 ppm1      4.945 ppm2      1.537 CV     1
 ASSI { 1146}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.400     1.200     1.200 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.84263E-02 ppm1      4.170 ppm2      1.073 CV     1
 ASSI { 1149}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.700     1.400     1.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.64335E-02 ppm1      4.841 ppm2      0.772 CV     1
 ASSI { 1150}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      3.200     1.800     1.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.32973E-02 ppm1      4.840 ppm2      0.837 CV     1
 ASSI { 1151}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      2.600     1.400     1.400 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.67852E-02 ppm1      4.487 ppm2      0.735 CV     1
 ASSI { 1152}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HG13))
      4.700     3.300     1.300 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.30922E-03 ppm1      3.995 ppm2      1.578 CV     1
 ASSI { 1154}
   (( segid "    " and resid 37   and name HA1 ))
   (  segid "    " and resid 4    and name HG2%)
      3.100     1.700     1.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.27698E-02 ppm1      3.588 ppm2      1.023 CV     1
 ASSI { 1155}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 29   and name HD2%)
      2.600     1.300     1.300 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.31361E-02 ppm1      3.786 ppm2      0.770 CV     1
 ASSI { 1159}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      3.700     2.200     2.200 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.16560E-02 ppm1      4.562 ppm2      1.393 CV     1
 ASSI { 1160}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
      1.600     0.800     0.800 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.32094E-01 ppm1      1.749 ppm2      1.176 CV     1
 ASSI { 1161}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 45   and name HG3 ))
      3.500     2.100     2.100 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.16267E-02 ppm1      2.841 ppm2      1.245 CV     1
 OR { 1161}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1164}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.210 ppm2      8.317 CV     1
 ASSI { 1166}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 67   and name HG1%)
      4.000     2.500     2.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.80012E-03 ppm1      5.668 ppm2      0.671 CV     1
 ASSI { 1168}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 67   and name HG1%)
      5.100     3.700     0.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.21543E-03 ppm1      5.755 ppm2      0.670 CV     1
 ASSI { 1170}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      3.000     1.700     1.700 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.19784E-02 ppm1      1.675 ppm2      0.707 CV     1
 ASSI { 1171}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
      3.500     2.100     2.100 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.20370E-02 ppm1      1.783 ppm2      1.297 CV     1
 ASSI { 1172}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 5    and name HD1%)
      3.300     1.800     1.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.20810E-02 ppm1      2.224 ppm2      0.707 CV     1
 OR { 1172}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1173}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      2.900     1.600     1.600 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.35611E-02 ppm1      4.335 ppm2      0.815 CV     1
 ASSI { 1174}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 36   and name HG2%)
      3.500     2.100     2.100 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.13820E-02 ppm1      4.337 ppm2      0.869 CV     1
 ASSI { 1175}
   (( segid "    " and resid 6    and name HA2 ))
   (  segid "    " and resid 36   and name HG2%)
      3.400     2.000     2.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.20370E-02 ppm1      4.709 ppm2      0.869 CV     1
 ASSI { 1177}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.300     1.900     1.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.51145E-02 ppm1      3.901 ppm2      0.706 CV     1
 ASSI { 1180}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
      3.000     1.600     1.600 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.32826E-02 ppm1      3.006 ppm2      0.900 CV     1
 ASSI { 1181}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      2.700     1.400     1.400 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.56861E-02 ppm1      3.435 ppm2      0.706 CV     1
 ASSI { 1183}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HB2 ))
      4.000     2.500     2.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.10918E-02 ppm1      3.274 ppm2      1.075 CV     1
 ASSI { 1184}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 36   and name HD1%)
      4.300     2.800     1.700 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.50559E-03 ppm1      3.552 ppm2      0.815 CV     1
 ASSI { 1185}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 36   and name HG2%)
      3.800     2.300     2.200 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.96284E-03 ppm1      2.352 ppm2      0.868 CV     1
 ASSI { 1186}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
      3.800     2.300     2.200 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.80600E-03 ppm1      2.353 ppm2      0.811 CV     1
 ASSI { 1189}
   (( segid "    " and resid 7    and name HD3 ))
   (  segid "    " and resid 36   and name HG2%)
      3.600     2.100     2.100 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.83388E-03 ppm1      3.747 ppm2      0.869 CV     1
 ASSI { 1190}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 36   and name HG2%)
      3.300     1.800     1.800 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.26672E-02 ppm1      3.550 ppm2      0.869 CV     1
 ASSI { 1195}
   (( segid "    " and resid 37   and name HA2 ))
   (  segid "    " and resid 4    and name HG2%)
      4.000     2.500     2.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.81919E-03 ppm1      4.412 ppm2      1.023 CV     1
 ASSI { 1196}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 32   and name HG2%)
      4.700     3.300     1.300 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.24034E-03 ppm1      3.113 ppm2      1.111 CV     1
 ASSI { 1197}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.600     2.100     2.100 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.17439E-02 ppm1      2.727 ppm2      1.177 CV     1
 ASSI { 1198}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 32   and name HG2%)
      3.200     1.800     1.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.87051E-03 ppm1      2.979 ppm2      1.115 CV     1
 OR { 1198}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI { 1199}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 32   and name HG1%)
      3.100     1.700     1.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.92471E-03 ppm1      2.980 ppm2      1.002 CV     1
 OR { 1199}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 32   and name HG1%)
 ASSI { 1200}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.900     1.900 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.15534E-02 ppm1      5.566 ppm2      5.261 CV     1
 ASSI { 1202}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      5.600     4.400     0.400 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.14801E-03 ppm1      4.169 ppm2      5.755 CV     1
 ASSI { 1205}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      4.900     3.500     1.100 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.31654E-03 ppm1      1.427 ppm2      5.755 CV     1
 OR { 1205}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
 OR { 1205}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1206}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      4.100     2.600     1.900 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.55395E-03 ppm1      1.079 ppm2      5.755 CV     1
 ASSI { 1208}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      4.000     2.500     2.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.92908E-03 ppm1      1.004 ppm2      5.694 CV     1
 ASSI { 1211}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      5.300     4.100     0.700 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.18319E-03 ppm1      4.110 ppm2      5.676 CV     1
 ASSI { 1212}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      2.900     1.600     1.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.28577E-02 ppm1      5.754 ppm2      5.674 CV     1
 ASSI { 1216}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      5.700     4.600     0.300 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.15387E-03 ppm1      5.441 ppm2      5.712 CV     1
 ASSI { 1217}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
      3.800     2.300     2.200 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.86464E-03 ppm1      4.878 ppm2      2.311 CV     1
 ASSI { 1218}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.800     3.400     1.200 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.24473E-03 ppm1      4.568 ppm2      1.696 CV     1
 ASSI { 1219}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.300     1.900     1.900 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.66679E-03 ppm1      4.080 ppm2      1.677 CV     1
 ASSI { 1220}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 35   and name HB  ))
      5.200     3.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.19198E-03 ppm1      4.074 ppm2      1.896 CV     1
 ASSI { 1222}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG13))
      3.400     1.900     1.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.15094E-02 ppm1      4.841 ppm2      1.510 CV     1
 ASSI { 1224}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 17   and name HB2 ))
      5.300     4.000     0.700 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.12662E-03 ppm1      3.978 ppm2      1.670 CV     1
 ASSI { 1225}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     5.000     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.711 ppm2      1.439 CV     1
 OR { 1225}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 1226}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HD2 ))
      6.000     5.000     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.278 ppm2      1.451 CV     1
 OR { 1226}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HD3 ))
 OR { 1226}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HG3 ))
 OR { 1226}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 1228}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
      3.100     1.700     1.700 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.24034E-02 ppm1      3.050 ppm2     -0.016 CV     1
 ASSI { 1229}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
      3.500     2.000     2.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.15241E-02 ppm1      2.882 ppm2     -0.015 CV     1
 ASSI { 1230}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
      4.200     2.700     1.800 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.46455E-03 ppm1      2.790 ppm2     -0.016 CV     1
 ASSI { 1232}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
      3.900     2.400     2.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.76056E-03 ppm1      2.461 ppm2     -0.016 CV     1
 ASSI { 1233}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 61   and name HD1%)
      3.100     1.700     1.700 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.25792E-02 ppm1      0.819 ppm2     -0.016 CV     1
 ASSI { 1236}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      5.000     3.600     1.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.19637E-03 ppm1      4.918 ppm2      1.075 CV     1
 ASSI { 1237}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      4.200     2.700     1.800 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.42352E-03 ppm1      3.783 ppm2      0.693 CV     1
 ASSI { 1241}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      4.600     3.200     1.400 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.30629E-03 ppm1      5.697 ppm2      1.117 CV     1
 ASSI { 1242}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      3.800     2.300     2.200 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.93940E-03 ppm1      4.879 ppm2      1.023 CV     1
 ASSI { 1243}
   (  segid "    " and resid 63   and name HB% )
   (  segid "    " and resid 29   and name HD2%)
      2.700     1.400     1.400 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.24181E-02 ppm1      1.397 ppm2      0.770 CV     1
 ASSI { 1245}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.900     1.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      0.680 ppm2      8.689 CV     1
 ASSI { 1246}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.700     1.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.28577E-02 ppm1      1.024 ppm2      8.686 CV     1
 ASSI { 1247}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      3.200     1.700     1.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.14948E-02 ppm1      1.076 ppm2      0.674 CV     1
 ASSI { 1248}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      3.800     2.300     2.200 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.68586E-03 ppm1      3.899 ppm2      0.678 CV     1
 ASSI { 1249}
   (( segid "    " and resid 39   and name HG2 ))
   (  segid "    " and resid 2    and name HB% )
      4.100     2.600     1.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.52464E-03 ppm1      2.226 ppm2      1.301 CV     1
 ASSI { 1250}
   (( segid "    " and resid 39   and name HG3 ))
   (  segid "    " and resid 2    and name HB% )
      5.800     4.700     0.200 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.90714E-04 ppm1      2.309 ppm2      1.301 CV     1
 ASSI { 1251}
   (( segid "    " and resid 41   and name HA1 ))
   (  segid "    " and resid 2    and name HB% )
      3.900     2.400     2.100 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.72543E-03 ppm1      3.748 ppm2      1.301 CV     1
 ASSI { 1252}
   (( segid "    " and resid 41   and name HA2 ))
   (  segid "    " and resid 2    and name HB% )
      3.700     2.200     2.200 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.11899E-02 ppm1      4.426 ppm2      1.300 CV     1
 ASSI { 1253}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HG2 ))
      2.300     1.100     1.100 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.54662E-02 ppm1      2.309 ppm2      2.226 CV     1
 ASSI { 1254}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 39   and name HE22))
      5.300     3.900     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.18025E-03 ppm1      1.300 ppm2      6.773 CV     1
 ASSI { 1255}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 3    and name HG2%)
      3.900     2.400     2.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.25939E-03 ppm1      2.625 ppm2      1.198 CV     1
 ASSI { 1256}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      4.900     3.500     1.100 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.40887E-03 ppm1      4.013 ppm2      1.024 CV     1
 ASSI { 1257}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      5.000     3.600     1.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.19198E-03 ppm1      4.564 ppm2      1.021 CV     1
 ASSI { 1258}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      6.000     5.300     0.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.80163E-04 ppm1      1.024 ppm2      8.877 CV     1
 ASSI { 1259}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 39   and name HE22))
      6.000     5.000     0.000 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.10214E-03 ppm1      1.024 ppm2      6.774 CV     1
 ASSI { 1260}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 39   and name HE21))
      6.000     5.000     0.000 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.698 ppm2      7.402 CV     1
 ASSI { 1261}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.000     0.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.922 ppm2      8.688 CV     1
 ASSI { 1263}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      5.400     4.100     0.600 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.11826E-03 ppm1      0.705 ppm2      8.098 CV     1
 ASSI { 1264}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      5.300     4.100     0.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.10156E-03 ppm1      2.020 ppm2      7.644 CV     1
 ASSI { 1265}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 5    and name HG2%)
      3.600     2.100     2.100 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.93940E-03 ppm1      1.674 ppm2      0.683 CV     1
 ASSI { 1266}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     5.000     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      1.078 CV     1
 ASSI { 1267}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      3.900     2.400     2.100 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.67852E-03 ppm1      0.705 ppm2      9.120 CV     1
 ASSI { 1269}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.286 ppm2      9.185 CV     1
 ASSI { 1272}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      5.500     4.300     0.500 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.18905E-03 ppm1      2.603 ppm2      7.714 CV     1
 ASSI { 1273}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 65   and name HD21))
      6.000     5.000     0.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.385 ppm2      7.562 CV     1
 ASSI { 1276}
   (  segid "    " and resid 16   and name HZ% )
   (( segid "    " and resid 16   and name HB2 ))
      6.000     5.000     0.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.981 ppm2      1.694 CV     1
 ASSI { 1277}
   (  segid "    " and resid 16   and name HZ% )
   (( segid "    " and resid 16   and name HG3 ))
      3.400     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      2.981 ppm2      1.428 CV     1
 OR { 1277}
   (  segid "    " and resid 16   and name HZ% )
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1278}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      5.500     4.300     0.500 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.10815E-03 ppm1      1.805 ppm2      9.614 CV     1
 ASSI { 1281}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      5.000     3.600     1.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.18319E-03 ppm1      3.472 ppm2      8.395 CV     1
 ASSI { 1282}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     5.000     0.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.311 ppm2      1.781 CV     1
 ASSI { 1283}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     5.000     0.000 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.224 ppm2      1.782 CV     1
 ASSI { 1284}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.400     2.000     2.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.11299E-02 ppm1      3.783 ppm2      2.933 CV     1
 ASSI { 1285}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 41   and name HA1 ))
      6.000     5.000     0.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.643 ppm2      3.741 CV     1
 ASSI { 1287}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      5.600     4.400     0.400 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.10815E-03 ppm1      3.007 ppm2      8.212 CV     1
 ASSI { 1288}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     5.000     0.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.079 ppm2      8.212 CV     1
 ASSI { 1289}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.025 ppm2      9.119 CV     1
 ASSI { 1290}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      4.400     2.900     1.600 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.45723E-03 ppm1      1.025 ppm2      8.499 CV     1
 ASSI { 1291}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.700     1.700 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.26525E-02 ppm1      4.878 ppm2      4.698 CV     1
 ASSI { 1292}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.600     2.100     2.100 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.12559E-02 ppm1      4.878 ppm2      8.686 CV     1
 ASSI { 1293}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 5    and name HG2%)
      6.000     5.000     0.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      0.674 CV     1
 ASSI { 1296}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 5    and name HG2%)
      6.000     5.000     0.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.900 ppm2      0.676 CV     1
 ASSI { 1297}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
      6.000     5.000     0.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.900 ppm2      0.712 CV     1
 ASSI { 1298}
   (  segid "    " and resid 44   and name HG1%)
   (  segid "    " and resid 5    and name HD1%)
      6.000     5.000     0.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.828 ppm2      0.714 CV     1
 ASSI { 1300}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.100     1.700     1.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.26232E-02 ppm1      4.904 ppm2      1.248 CV     1
 OR { 1300}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI { 1302}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      6.000     5.000     0.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.812 ppm2      1.408 CV     1
 ASSI { 1304}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 29   and name HD1%)
      6.000     5.000     0.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.878 ppm2      0.735 CV     1
 OR { 1304}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI { 1306}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      5.400     4.100     0.600 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.15094E-03 ppm1      3.472 ppm2      2.625 CV     1
 ASSI { 1307}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     5.000     0.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.471 ppm2      2.792 CV     1
 ASSI { 1308}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HA1 ))
      6.000     5.000     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.071 ppm2      3.755 CV     1
 ASSI { 1309}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      6.000     5.000     0.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.257 ppm2      3.070 CV     1
 ASSI { 1310}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
      4.700     3.300     1.300 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.33560E-03 ppm1      4.694 ppm2      2.311 CV     1
 ASSI { 1311}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.700     2.200     2.200 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.10903E-02 ppm1      4.694 ppm2      2.226 CV     1
 ASSI { 1312}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.900     2.400     2.100 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.66533E-03 ppm1      4.838 ppm2      2.690 CV     1
 ASSI { 1313}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      4.800     3.400     1.200 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.31068E-03 ppm1      5.731 ppm2      2.456 CV     1
 OR { 1313}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI { 1316}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.300     1.100     1.100 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.14084E-01 ppm1      4.900 ppm2      1.751 CV     1
 OR { 1316}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI { 1317}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HG2%)
      6.000     5.000     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.356 ppm2      1.215 CV     1
 ASSI { 1318}
   (( segid "    " and resid 54   and name HB  ))
   (  segid "    " and resid 54   and name HG2%)
      6.000     5.000     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.323 ppm2      1.215 CV     1
 ASSI { 1319}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      6.000     5.000     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.169 ppm2      1.300 CV     1
 ASSI { 1320}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.200     0.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.87345E-04 ppm1      4.562 ppm2      8.131 CV     1
 ASSI { 1321}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     5.000     0.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.566 ppm2      7.717 CV     1
 ASSI { 1322}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
      6.000     5.700     0.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.12061E-03 ppm1      1.078 ppm2      7.042 CV     1
 ASSI { 1323}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     5.000     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.836 ppm2      8.171 CV     1
 ASSI { 1324}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      6.000     5.000     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.169 ppm2      1.439 CV     1
 ASSI { 1325}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG3 ))
      6.000     5.000     0.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.169 ppm2      1.439 CV     1
 OR { 1325}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 1326}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.427 ppm2      8.723 CV     1
 ASSI { 1327}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.700     1.700 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.23154E-02 ppm1      4.733 ppm2      8.740 CV     1
 ASSI { 1328}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.300     1.800     1.800 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.20517E-02 ppm1      2.462 ppm2      8.739 CV     1
 OR { 1328}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1331}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.600     1.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.48068E-03 ppm1      9.103 ppm2      8.738 CV     1
 ASSI { 1332}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.700     1.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.53490E-03 ppm1      1.761 ppm2      8.741 CV     1
 ASSI { 1333}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
      4.900     3.500     1.100 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.22569E-03 ppm1      1.549 ppm2      8.738 CV     1
 ASSI { 1334}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.900     1.900 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.11621E-02 ppm1      1.178 ppm2      8.738 CV     1
 ASSI { 1335}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      8.738 CV     1
 ASSI { 1336}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.600     3.200     1.400 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.87632E-04 ppm1     -0.017 ppm2      8.736 CV     1
 ASSI { 1337}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.271 ppm2      8.725 CV     1
 ASSI { 1338}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.600     3.100     1.400 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.35611E-03 ppm1      9.178 ppm2      8.738 CV     1
 ASSI { 1339}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 45   and name HG3 ))
      3.100     1.700     1.700 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.22422E-02 ppm1      2.722 ppm2      1.246 CV     1
 OR { 1339}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1340}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.000     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      9.115 CV     1
 ASSI { 1341}
   (( segid "    " and resid 67   and name HB  ))
   (  segid "    " and resid 15   and name HD% )
      6.000     5.000     0.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.030 ppm2      6.977 CV     1
 ASSI { 1342}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 58   and name HE% )
      6.000     5.000     0.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.934 ppm2      7.200 CV     1
 OR { 1342}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 58   and name HE% )
 ASSI { 1343}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 58   and name HE% )
      3.500     2.100     2.100 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.44990E-03 ppm1      5.696 ppm2      7.199 CV     1
 ASSI { 1344}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     5.000     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.193 ppm2      6.594 CV     1
 ASSI { 1346}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     5.000     0.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.445 ppm2      7.804 CV     1
 ASSI { 1347}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.839 ppm2      8.173 CV     1
 ASSI { 1348}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG12))
      3.400     2.000     2.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.17146E-02 ppm1      4.841 ppm2      1.184 CV     1
 ASSI { 1350}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     2.200     2.200 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.10859E-02 ppm1      4.841 ppm2      9.182 CV     1
 ASSI { 1351}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB  ))
      6.000     5.000     0.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.841 ppm2      1.772 CV     1
 ASSI { 1353}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     5.000     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.613 ppm2      1.436 CV     1
 OR { 1353}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 1354}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     5.000     0.000 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      8.180 CV     1
 ASSI { 1355}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.000     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.908 ppm2      8.901 CV     1
 ASSI { 1357}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.100     1.700     1.700 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.23008E-02 ppm1      4.723 ppm2      5.443 CV     1
 ASSI { 1358}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      5.500     4.300     0.500 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.12735E-03 ppm1      0.826 ppm2      5.443 CV     1
 ASSI { 1359}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      4.100     2.600     1.900 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.57153E-03 ppm1      0.901 ppm2      5.443 CV     1
 ASSI { 1367}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
      6.000     5.000     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.059 ppm2      5.564 CV     1
 ASSI { 1370}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     5.000     0.000 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.888 ppm2      5.677 CV     1
 ASSI { 1371}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      6.000     5.000     0.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.722 ppm2      0.731 CV     1
 ASSI { 1372}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 29   and name HD1%)
      3.600     2.200     2.200 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.88808E-03 ppm1      2.837 ppm2      0.734 CV     1
 ASSI { 1375}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 29   and name HD2%)
      4.100     2.600     1.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.54956E-03 ppm1      2.841 ppm2      0.768 CV     1
 ASSI { 1377}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
      2.900     1.500     1.500 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.36930E-02 ppm1      2.842 ppm2      1.176 CV     1
 ASSI { 1379}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
      3.700     2.200     2.200 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.11621E-02 ppm1      2.715 ppm2      0.734 CV     1
 ASSI { 1382}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      6.000     5.000     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.835 ppm2      0.898 CV     1
 ASSI { 1384}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 45   and name HG3 ))
      6.000     5.000     0.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.754 ppm2      1.246 CV     1
 OR { 1384}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 1384}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 45   and name HG3 ))
 OR { 1384}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1386}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 42   and name HB% )
      4.400     3.000     1.600 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.25792E-03 ppm1      2.187 ppm2      1.408 CV     1
 ASSI { 1387}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 42   and name HB% )
      4.000     2.500     2.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.64041E-03 ppm1      2.086 ppm2      1.408 CV     1
 ASSI { 1388}
   (( segid "    " and resid 39   and name HG3 ))
   (  segid "    " and resid 4    and name HG2%)
      4.300     2.800     1.700 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.13820E-03 ppm1      2.312 ppm2      1.026 CV     1
 ASSI { 1395}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 62   and name HN  ))
      6.000     5.000     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.971 ppm2      8.723 CV     1
 ASSI { 1396}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     5.000     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.707 ppm2      3.618 CV     1
 ASSI { 1397}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      6.000     5.000     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.741 ppm2      3.709 CV     1
 ASSI { 1398}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     5.000     0.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.741 ppm2      3.619 CV     1
 ASSI { 1399}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.800     1.800 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.19931E-02 ppm1      4.742 ppm2      8.176 CV     1
 ASSI { 1400}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      4.600     3.100     1.400 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.32094E-03 ppm1      0.701 ppm2      8.804 CV     1
 ASSI { 1401}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      3.800     2.300     2.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.30629E-03 ppm1      0.678 ppm2      9.055 CV     1
 ASSI { 1402}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.900     1.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.59791E-03 ppm1      0.732 ppm2      8.629 CV     1
 ASSI { 1403}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      5.700     4.600     0.300 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.12486E-03 ppm1      4.644 ppm2      0.691 CV     1
 ASSI { 1404}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 61   and name HG2%)
      3.900     2.400     2.100 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.11767E-02 ppm1      2.882 ppm2      0.691 CV     1
 ASSI { 1407}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 29   and name HD2%)
      6.000     5.000     0.000 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.714 ppm2      0.771 CV     1
 ASSI { 1408}
   (( segid "    " and resid 60   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
      6.000     5.000     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.189 ppm2      0.839 CV     1
 ASSI { 1409}
   (( segid "    " and resid 60   and name HG13))
   (  segid "    " and resid 60   and name HD1%)
      6.000     5.000     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.505 ppm2      0.840 CV     1
 ASSI { 1410}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     5.000     0.000 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.838 CV     1
 ASSI { 1411}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.839 ppm2      8.173 CV     1
 ASSI { 1412}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     5.000     0.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.048 ppm2      4.329 CV     1
 ASSI { 1413}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.045 ppm2      8.588 CV     1
 ASSI { 1416}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      6.000     5.000     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.789 ppm2      8.321 CV     1
 ASSI { 1417}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.400     2.900     1.600 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.14801E-03 ppm1      5.753 ppm2      8.699 CV     1
 ASSI { 1419}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.045 ppm2      8.743 CV     1
 OR { 1419}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1420}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     2.200     2.200 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.32973E-03 ppm1      4.953 ppm2      9.182 CV     1
 ASSI { 1421}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.004 ppm2      9.182 CV     1
 ASSI { 1423}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      6.000     5.000     0.000 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.444 ppm2      1.407 CV     1
 ASSI { 1424}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      6.000     5.000     0.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.732 ppm2      1.407 CV     1
 ASSI { 1426}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 61   and name HG13))
      4.900     3.500     1.100 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.29016E-03 ppm1      2.617 ppm2      0.969 CV     1
 ASSI { 1427}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 35   and name HG1%)
      4.900     3.400     1.100 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.28284E-03 ppm1      3.440 ppm2      0.938 CV     1
 ASSI { 1429}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HB% )
      4.300     2.800     1.700 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.51438E-03 ppm1      4.927 ppm2      1.380 CV     1
 ASSI { 1430}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
      6.000     5.000     0.000 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.624 ppm2      1.315 CV     1
 ASSI { 1431}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 45   and name HB3 ))
      3.900     2.400     2.100 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.11005E-02 ppm1      2.839 ppm2      1.746 CV     1
 OR { 1431}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1433}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     5.000     0.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.114 ppm2      0.677 CV     1
 ASSI { 1438}
   (( segid "    " and resid 55   and name HA1 ))
   (  segid "    " and resid 51   and name HG2%)
      3.800     2.300     2.200 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.28723E-03 ppm1      3.890 ppm2      0.921 CV     1
 OR { 1438}
   (( segid "    " and resid 55   and name HA1 ))
   (  segid "    " and resid 51   and name HG1%)
 ASSI { 1440}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 23   and name HE% )
      6.000     5.000     0.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.606 ppm2      2.042 CV     1
 ASSI { 1442}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.800     2.300     2.200 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.85145E-03 ppm1      4.874 ppm2      2.227 CV     1
 ASSI { 1444}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 17   and name HG3 ))
      6.000     5.000     0.000 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.075 ppm2      2.232 CV     1
 OR { 1444}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1445}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.900     1.900 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      3.754 ppm2      2.727 CV     1
 OR { 1445}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 1447}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 36   and name HA  ))
      4.400     2.900     1.600 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.68880E-03 ppm1      3.597 ppm2      3.431 CV     1
 ASSI { 1449}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      6.000     5.000     0.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.798 ppm2      3.879 CV     1
 OR { 1449}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1451}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HG2%)
      6.000     5.000     0.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.400 ppm2      0.910 CV     1
 ASSI { 1452}
   (  segid "    " and resid 3    and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
      6.000     5.000     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.209 ppm2      0.898 CV     1
 ASSI { 1453}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      4.300     2.800     1.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.49533E-03 ppm1      5.257 ppm2      1.271 CV     1
 ASSI {    1}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      6.000     5.000     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.962 ppm2      0.763 CV     1
 ASSI {    2}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB  ))
      6.000     5.000     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.953 ppm2      1.767 CV     1
 ASSI {    8}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.000     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.124 ppm2      9.530 CV     1
 ASSI {   14}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      6.000     5.000     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.704 ppm2      0.931 CV     1
 ASSI {   47}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.000     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.949 ppm2      9.189 CV     1
 ASSI {   67}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG3 ))
      6.000     5.000     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.345 ppm2      1.439 CV     1
 OR {   67}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {   77}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     5.000     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.807 ppm2      0.926 CV     1
 ASSI {  164}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 17   and name HG3 ))
      6.000     5.000     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.096 ppm2      2.221 CV     1
 OR {  164}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  195}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG3 ))
      6.000     5.000     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.612 ppm2      2.040 CV     1
 OR {  195}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  237}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     5.000     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.906 ppm2      4.728 CV     1
 ASSI {  263}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 6    and name HA2 ))
      6.000     5.000     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.118 ppm2      4.697 CV     1
 ASSI {  290}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     5.000     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.411 ppm2      2.805 CV     1
 ASSI {  308}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     5.000     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.123 ppm2      5.436 CV     1
 ASSI {  309}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     5.000     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.123 ppm2      9.918 CV     1
 ASSI {  340}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HD2 ))
      6.000     5.000     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.428 ppm2      1.434 CV     1
 OR {  340}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HD3 ))
 ASSI {  367}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      6.000     5.000     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.103 ppm2      1.401 CV     1
 ASSI {  368}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     5.000     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.103 ppm2      1.168 CV     1
 ASSI {  369}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      6.000     5.000     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.104 ppm2      0.735 CV     1
 ASSI {  370}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 30   and name HA1 ))
      6.000     5.000     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.101 ppm2      3.450 CV     1
 ASSI {  371}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     5.000     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.104 ppm2      4.487 CV     1
 ASSI {  389}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.000     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.096 ppm2      8.732 CV     1
 ASSI {  391}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     5.000     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.233 ppm2      0.686 CV     1
 ASSI {  405}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     5.000     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.900 ppm2      1.237 CV     1
 OR {  405}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {  437}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     5.000     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.174 ppm2      1.282 CV     1
 ASSI {  441}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      6.000     5.000     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.251 ppm2      0.696 CV     1
 ASSI {  452}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      6.000     5.000     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      6.970 CV     1
 ASSI {  456}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      6.000     5.000     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.610 ppm2      3.982 CV     1
 ASSI {  467}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
      6.000     5.000     0.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.694 ppm2      3.608 CV     1
 ASSI {  477}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      6.000     5.000     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.534 ppm2      0.829 CV     1
 ASSI {  483}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      6.000     5.000     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.138 ppm2      1.005 CV     1
 ASSI {  492}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     5.000     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.557 ppm2      2.816 CV     1
 ASSI {  493}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     5.000     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.555 ppm2      2.732 CV     1
 ASSI {  495}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
      6.000     5.000     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.957 ppm2      1.195 CV     1
 ASSI {  498}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     5.000     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.956 ppm2      4.739 CV     1
 ASSI {  710}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      3.400     2.000     2.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.17146E-02 ppm1      0.832 ppm2      9.532 CV     1
 OR {  710}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  712}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 18   and name HN  ))
      4.600     3.100     1.400 peak   712 spectrum    1 weight  0.10000E+01 volume  0.38102E-03 ppm1      1.257 ppm2      9.537 CV     1
 OR {  712}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
 OR {  712}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  716}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.200     2.700     1.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.55249E-03 ppm1      1.693 ppm2      9.614 CV     1
 OR {  716}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  720}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     2.100     2.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      4.728 ppm2      9.908 CV     1
 OR {  720}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  721}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      5.300     4.000     0.700 peak   721 spectrum    1 weight  0.10000E+01 volume  0.14655E-03 ppm1      4.820 ppm2      9.907 CV     1
 OR {  721}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  733}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     2.000     2.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.20077E-02 ppm1      9.910 ppm2      9.122 CV     1
 OR {  733}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  735}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.600     1.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.45577E-02 ppm1      9.531 ppm2      9.124 CV     1
 OR {  735}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  736}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.500     2.000     2.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12750E-02 ppm1      9.181 ppm2      8.955 CV     1
 OR {  736}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  744}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 59   and name HN  ))
      4.500     3.000     1.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.10317E-03 ppm1      7.196 ppm2      8.950 CV     1
 OR {  744}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  758}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.800     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.29163E-02 ppm1      4.611 ppm2      8.956 CV     1
 OR {  758}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR {  758}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  760}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.700     1.800 peak   760 spectrum    1 weight  0.10000E+01 volume  0.37956E-03 ppm1      4.007 ppm2      9.123 CV     1
 OR {  760}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  761}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.800     1.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.41766E-03 ppm1      3.894 ppm2      9.117 CV     1
 OR {  761}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
 OR {  761}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  762}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 37   and name HN  ))
      5.400     4.100     0.600 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10507E-03 ppm1      3.753 ppm2      9.119 CV     1
 OR {  762}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
 OR {  762}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  763}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      4.900     3.500     1.100 peak   763 spectrum    1 weight  0.10000E+01 volume  0.20663E-03 ppm1      2.881 ppm2      8.953 CV     1
 OR {  763}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  764}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      4.400     3.000     1.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.32094E-03 ppm1      2.622 ppm2      8.952 CV     1
 OR {  764}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
 OR {  764}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  776}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 63   and name HN  ))
      3.600     2.100     2.100 peak   776 spectrum    1 weight  0.10000E+01 volume  0.51585E-03 ppm1      0.765 ppm2      8.803 CV     1
 OR {  776}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  783}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      4.800     3.400     1.200 peak   783 spectrum    1 weight  0.10000E+01 volume  0.66972E-04 ppm1     -0.017 ppm2      9.124 CV     1
 OR {  783}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  784}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      4.700     3.300     1.300 peak   784 spectrum    1 weight  0.10000E+01 volume  0.76206E-04 ppm1     -0.014 ppm2      8.414 CV     1
 OR {  784}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  785}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      5.200     3.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.46309E-04 ppm1     -0.014 ppm2      8.335 CV     1
 OR {  785}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  791}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      4.400     3.000     1.600 peak   791 spectrum    1 weight  0.10000E+01 volume  0.19931E-03 ppm1      0.689 ppm2      8.348 CV     1
 OR {  791}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  793}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.000     0.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.822 ppm2      8.615 CV     1
 OR {  793}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  804}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 34   and name HN  ))
      5.500     4.300     0.500 peak   804 spectrum    1 weight  0.10000E+01 volume  0.92033E-04 ppm1      2.224 ppm2      8.096 CV     1
 OR {  804}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
 OR {  804}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  814}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      5.100     3.800     0.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.30335E-03 ppm1      3.279 ppm2      8.417 CV     1
 OR {  814}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  819}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HN  ))
      5.400     4.100     0.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.12515E-03 ppm1      3.607 ppm2      8.692 CV     1
 OR {  819}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 36   and name HN  ))
 OR {  819}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  820}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.700     1.800 peak   820 spectrum    1 weight  0.10000E+01 volume  0.19637E-03 ppm1      3.616 ppm2      8.622 CV     1
 OR {  820}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  821}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      5.400     4.100     0.600 peak   821 spectrum    1 weight  0.10000E+01 volume  0.36198E-04 ppm1      3.621 ppm2      8.566 CV     1
 OR {  821}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  848}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     1.200     1.200 peak   848 spectrum    1 weight  0.10000E+01 volume  0.11241E-01 ppm1      8.615 ppm2      7.648 CV     1
 OR {  848}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  856}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      5.700     4.500     0.300 peak   856 spectrum    1 weight  0.10000E+01 volume  0.80012E-04 ppm1      9.092 ppm2      8.171 CV     1
 OR {  856}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  867}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 65   and name HD21))
      4.700     3.300     1.300 peak   867 spectrum    1 weight  0.10000E+01 volume  0.32094E-03 ppm1      4.192 ppm2      7.565 CV     1
 OR {  867}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 65   and name HD21))
 ASSI {  873}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.900     3.500     1.100 peak   873 spectrum    1 weight  0.10000E+01 volume  0.31654E-03 ppm1      2.687 ppm2      7.465 CV     1
 OR {  873}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 OR {  873}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  877}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      4.500     3.000     1.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.79869E-03 ppm1      1.388 ppm2      7.713 CV     1
 OR {  877}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  878}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 62   and name HD21))
      4.200     2.700     1.800 peak   878 spectrum    1 weight  0.10000E+01 volume  0.38395E-03 ppm1      1.386 ppm2      7.653 CV     1
 OR {  878}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 62   and name HD21))
 ASSI {  882}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      3.900     2.400     2.100 peak   882 spectrum    1 weight  0.10000E+01 volume  0.59206E-03 ppm1      0.826 ppm2      7.805 CV     1
 OR {  882}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  885}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 66   and name HN  ))
      3.700     2.200     2.200 peak   885 spectrum    1 weight  0.10000E+01 volume  0.41473E-03 ppm1      0.777 ppm2      7.713 CV     1
 OR {  885}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  892}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 18   and name HD% )
      4.400     3.000     1.600 peak   892 spectrum    1 weight  0.10000E+01 volume  0.43378E-03 ppm1      0.688 ppm2      6.803 CV     1
 OR {  892}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 18   and name HD% )
 ASSI {  900}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 58   and name HD% )
      3.500     2.100     2.100 peak   900 spectrum    1 weight  0.10000E+01 volume  0.57153E-03 ppm1      0.836 ppm2      7.102 CV     1
 OR {  900}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 58   and name HD% )
 ASSI {  908}
   (( segid "    " and resid 60   and name HG12))
   (  segid "    " and resid 58   and name HE% )
      3.700     2.200     2.200 peak   908 spectrum    1 weight  0.10000E+01 volume  0.57447E-03 ppm1      1.183 ppm2      7.202 CV     1
 OR {  908}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 58   and name HE% )
 ASSI {  910}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 62   and name HD22))
      3.200     1.800     1.800 peak   910 spectrum    1 weight  0.10000E+01 volume  0.76937E-03 ppm1      1.380 ppm2      6.886 CV     1
 OR {  910}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 62   and name HD22))
 ASSI {  912}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 18   and name HD% )
      5.400     4.200     0.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.15094E-03 ppm1      1.434 ppm2      6.801 CV     1
 OR {  912}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 18   and name HD% )
 OR {  912}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 18   and name HD% )
 ASSI {  916}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 18   and name HD% )
      3.800     2.300     2.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.93059E-03 ppm1      1.699 ppm2      6.800 CV     1
 OR {  916}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HD% )
 ASSI {  923}
   (  segid "    " and resid 23   and name HE% )
   (  segid "    " and resid 58   and name HD% )
      5.100     3.800     0.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.89245E-04 ppm1      2.056 ppm2      7.104 CV     1
 OR {  923}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 58   and name HD% )
 ASSI {  925}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 65   and name HD22))
      6.000     5.200     0.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.95259E-04 ppm1      2.602 ppm2      7.040 CV     1
 OR {  925}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
 ASSI {  936}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
      3.400     1.900     1.900 peak   936 spectrum    1 weight  0.10000E+01 volume  0.18465E-02 ppm1      2.924 ppm2      6.977 CV     1
 OR {  936}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
 ASSI {  937}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      4.100     2.600     1.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.63895E-03 ppm1      2.905 ppm2      6.744 CV     1
 OR {  937}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI {  963}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HE% )
      4.300     2.900     1.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.15974E-03 ppm1      8.952 ppm2      7.203 CV     1
 OR {  963}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 58   and name HE% )
 ASSI {  972}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HD22))
      4.500     3.000     1.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.11621E-03 ppm1      8.406 ppm2      6.888 CV     1
 OR {  972}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 62   and name HD22))
 ASSI {  975}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
      3.600     2.100     2.100 peak   975 spectrum    1 weight  0.10000E+01 volume  0.12706E-02 ppm1      8.540 ppm2      6.744 CV     1
 OR {  975}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
 ASSI {  984}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 58   and name HE% )
      4.600     3.200     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.25060E-03 ppm1      9.103 ppm2      7.200 CV     1
 OR {  984}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI {  994}
   (  segid "    " and resid 33   and name HG1%)
   (  segid "    " and resid 18   and name HE% )
      2.400     1.200     1.200 peak   994 spectrum    1 weight  0.10000E+01 volume  0.60378E-02 ppm1      0.827 ppm2      6.594 CV     1
 OR {  994}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 18   and name HE% )
 ASSI {  995}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 18   and name HE% )
      3.000     1.600     1.600 peak   995 spectrum    1 weight  0.10000E+01 volume  0.25792E-02 ppm1      0.995 ppm2      6.595 CV     1
 OR {  995}
   (( segid "    " and resid 61   and name HG13))
   (  segid "    " and resid 18   and name HE% )
 ASSI {  997}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 18   and name HE% )
      3.800     2.300     2.200 peak   997 spectrum    1 weight  0.10000E+01 volume  0.13746E-02 ppm1      1.437 ppm2      6.595 CV     1
 OR {  997}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 18   and name HE% )
 OR {  997}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 18   and name HE% )
 OR {  997}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
 ASSI { 1001}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
      5.300     4.000     0.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.16706E-03 ppm1      2.458 ppm2      6.592 CV     1
 OR { 1001}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
 ASSI { 1006}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.000     2.500     2.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.80894E-03 ppm1      4.568 ppm2      6.594 CV     1
 OR { 1006}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
 ASSI { 1019}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.600     1.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.82801E-03 ppm1      5.256 ppm2      9.122 CV     1
 OR { 1019}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1025}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      4.600     3.100     1.400 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.16853E-03 ppm1      1.406 ppm2      9.106 CV     1
 OR { 1025}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
 OR { 1025}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
 OR { 1025}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1025}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1025}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1026}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.800     1.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.32680E-02 ppm1      1.010 ppm2      9.127 CV     1
 OR { 1026}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 OR { 1026}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1032}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.300     1.900     1.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.17000E-02 ppm1      8.554 ppm2      8.181 CV     1
 OR { 1032}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1037}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      4.000     2.500     2.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.64041E-03 ppm1      4.830 ppm2      7.205 CV     1
 OR { 1037}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 58   and name HE% )
 OR { 1037}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1052}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      5.100     3.800     0.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.12090E-03 ppm1      5.695 ppm2      8.950 CV     1
 OR { 1052}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1053}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      4.400     2.900     1.600 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.14494E-03 ppm1      0.682 ppm2      9.616 CV     1
 OR { 1053}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 OR { 1053}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1054}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      5.300     4.000     0.700 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.64188E-04 ppm1      0.820 ppm2      9.614 CV     1
 OR { 1054}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1064}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      5.000     3.700     1.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.11416E-03 ppm1      2.468 ppm2      8.956 CV     1
 OR { 1064}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 1064}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
 OR { 1064}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 1064}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 1064}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1079}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      5.300     4.000     0.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.17732E-03 ppm1      4.573 ppm2      6.800 CV     1
 OR { 1079}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
 ASSI { 1081}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 55   and name HN  ))
      5.100     3.800     0.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.17586E-03 ppm1      0.926 ppm2      8.499 CV     1
 OR { 1081}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 OR { 1081}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 55   and name HN  ))
 OR { 1081}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1082}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      6.000     5.500     0.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.45577E-04 ppm1      0.698 ppm2      8.412 CV     1
 OR { 1082}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1083}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      4.200     2.700     1.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.17586E-03 ppm1      0.824 ppm2      7.647 CV     1
 OR { 1083}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1084}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 64   and name HN  ))
      4.600     3.100     1.400 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.11651E-03 ppm1      0.768 ppm2      8.411 CV     1
 OR { 1084}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 OR { 1084}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
 OR { 1084}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
 OR { 1084}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1087}
   (  segid "    " and resid 58   and name HE% )
   (( segid "    " and resid 21   and name HN  ))
      4.600     3.100     1.400 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.12720E-03 ppm1      7.209 ppm2      9.104 CV     1
 OR { 1087}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1091}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      5.000     3.600     1.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.25792E-03 ppm1      3.892 ppm2      9.055 CV     1
 OR { 1091}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1103}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.900     2.400     2.100 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.11475E-02 ppm1      4.196 ppm2      2.726 CV     1
 OR { 1103}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI { 1104}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      3.700     2.200     2.200 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.11357E-02 ppm1      3.996 ppm2      3.433 CV     1
 OR { 1104}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1106}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      3.700     2.200     2.200 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      4.579 ppm2      4.172 CV     1
 OR { 1106}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1114}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.600     3.200     1.400 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.33999E-03 ppm1      5.445 ppm2      2.622 CV     1
 OR { 1114}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1117}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.600     3.100     1.400 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.49973E-03 ppm1      5.262 ppm2      2.799 CV     1
 OR { 1117}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 1118}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      4.300     2.800     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.71518E-03 ppm1      5.564 ppm2      3.061 CV     1
 OR { 1118}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI { 1120}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.900     3.500     1.100 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.21982E-03 ppm1      5.564 ppm2      2.613 CV     1
 OR { 1120}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1122}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.800     2.400     2.200 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.74593E-03 ppm1      4.949 ppm2      2.793 CV     1
 OR { 1122}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 1125}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HG3 ))
      4.600     3.200     1.400 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.34585E-03 ppm1      4.487 ppm2      2.468 CV     1
 OR { 1125}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
 OR { 1125}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1128}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.600     3.200     1.400 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.51878E-03 ppm1      4.199 ppm2      2.802 CV     1
 OR { 1128}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI { 1133}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.800     2.300     2.200 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.16413E-02 ppm1      3.472 ppm2      2.812 CV     1
 OR { 1133}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HA1 ))
 ASSI { 1138}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 32   and name HB  ))
      3.300     1.900     1.900 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.12383E-02 ppm1      2.805 ppm2      2.233 CV     1
 OR { 1138}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1138}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 32   and name HB  ))
 OR { 1138}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 32   and name HB  ))
 OR { 1138}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1139}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.600     2.100     2.100 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.41473E-03 ppm1      3.709 ppm2      2.468 CV     1
 OR { 1139}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 23   and name HG2 ))
 OR { 1139}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 23   and name HG3 ))
 OR { 1139}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
 OR { 1139}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI { 1140}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
      3.400     2.000     2.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.30042E-02 ppm1      3.876 ppm2      1.896 CV     1
 OR { 1140}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR { 1140}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR { 1140}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1141}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HB  ))
      4.100     2.600     1.900 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.83388E-03 ppm1      3.995 ppm2      1.802 CV     1
 OR { 1141}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 36   and name HB  ))
 OR { 1141}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1142}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HG3 ))
      4.200     2.700     1.800 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.44111E-03 ppm1      3.879 ppm2      2.468 CV     1
 OR { 1142}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HG3 ))
 OR { 1142}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
 OR { 1142}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 OR { 1142}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HG2 ))
 OR { 1142}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1143}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 21   and name HG2 ))
      3.400     1.900     1.900 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.61697E-03 ppm1      3.446 ppm2      2.468 CV     1
 OR { 1143}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR { 1143}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI { 1147}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.500     2.000     2.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      4.574 ppm2      1.075 CV     1
 OR { 1147}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 1148}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HG1%)
      3.700     2.300     2.300 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.14215E-02 ppm1      4.948 ppm2      0.827 CV     1
 OR { 1148}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1153}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG13))
      3.300     1.900     1.900 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.24181E-02 ppm1      3.900 ppm2      1.461 CV     1
 OR { 1153}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 27   and name HB% )
 ASSI { 1156}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 29   and name HD2%)
      3.300     1.900     1.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      3.701 ppm2      0.771 CV     1
 OR { 1156}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1157}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 29   and name HD2%)
      3.600     2.100     2.100 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.19637E-02 ppm1      3.619 ppm2      0.770 CV     1
 OR { 1157}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1158}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      4.100     2.600     1.900 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.70342E-03 ppm1      4.952 ppm2      0.788 CV     1
 OR { 1158}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1162}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HB  ))
      3.800     2.300     2.200 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.15827E-02 ppm1      3.143 ppm2      1.406 CV     1
 OR { 1162}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 1163}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HB  ))
      2.800     1.500     1.500 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.37076E-02 ppm1      2.452 ppm2      1.406 CV     1
 OR { 1163}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 61   and name HB  ))
 OR { 1163}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR { 1163}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1165}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      3.000     1.600     1.600 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.11739E-02 ppm1      4.196 ppm2      0.773 CV     1
 OR { 1165}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 1165}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 1167}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 61   and name HG12))
      4.300     2.800     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.54662E-03 ppm1      2.620 ppm2      0.601 CV     1
 OR { 1167}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 61   and name HG12))
 OR { 1167}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 61   and name HG12))
 ASSI { 1169}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
      3.300     1.900     1.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.21835E-02 ppm1      1.269 ppm2      0.707 CV     1
 OR { 1169}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 1176}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.400     1.900     1.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.19198E-02 ppm1      3.988 ppm2      0.707 CV     1
 OR { 1176}
   (( segid "    " and resid 6    and name HA1 ))
   (  segid "    " and resid 5    and name HD1%)
 OR { 1176}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1178}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      3.500     2.000     2.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.15241E-02 ppm1      3.995 ppm2      0.823 CV     1
 OR { 1178}
   (( segid "    " and resid 6    and name HA1 ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 1178}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI { 1179}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
      2.600     1.300     1.300 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.84707E-02 ppm1      2.630 ppm2      0.903 CV     1
 OR { 1179}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI { 1182}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 61   and name HG2%)
      3.900     2.400     2.100 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.10024E-02 ppm1      3.275 ppm2      0.692 CV     1
 OR { 1182}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 67   and name HG1%)
 ASSI { 1187}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
      4.000     2.500     2.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.81625E-03 ppm1      2.628 ppm2      0.836 CV     1
 OR { 1187}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 33   and name HG1%)
 OR { 1187}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 67   and name HG2%)
 OR { 1187}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI { 1188}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 12   and name HG2%)
      4.000     2.500     2.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.94227E-03 ppm1      3.132 ppm2      0.910 CV     1
 OR { 1188}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 1191}
   (( segid "    " and resid 34   and name HA1 ))
   (  segid "    " and resid 33   and name HG2%)
      3.100     1.700     1.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.29310E-02 ppm1      2.807 ppm2      1.005 CV     1
 OR { 1191}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 32   and name HG1%)
 OR { 1191}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 1191}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 32   and name HG1%)
 ASSI { 1192}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 32   and name HG1%)
      2.900     1.600     1.600 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.64481E-02 ppm1      3.111 ppm2      1.005 CV     1
 OR { 1192}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 1193}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      5.100     3.800     0.900 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.21250E-03 ppm1      5.443 ppm2      1.005 CV     1
 OR { 1193}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 1194}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      4.200     2.700     1.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.77668E-03 ppm1      5.697 ppm2      1.007 CV     1
 OR { 1194}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
 ASSI { 1201}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      3.600     2.100     2.100 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.60964E-03 ppm1      0.681 ppm2      5.755 CV     1
 OR { 1201}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1207}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 66   and name HA  ))
      4.100     2.600     1.900 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.72393E-03 ppm1      0.670 ppm2      5.674 CV     1
 OR { 1207}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1209}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      4.000     2.500     2.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.98184E-03 ppm1      2.926 ppm2      5.753 CV     1
 OR { 1209}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1215}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      5.500     4.300     0.500 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.14948E-03 ppm1      4.943 ppm2      5.691 CV     1
 OR { 1215}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1221}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.000     1.600     1.600 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.12823E-02 ppm1      2.818 ppm2      1.676 CV     1
 OR { 1221}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR { 1221}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1223}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 63   and name HB% )
      3.900     2.400     2.100 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.11489E-02 ppm1      4.640 ppm2      1.389 CV     1
 OR { 1223}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HB% )
 ASSI { 1227}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
      6.000     5.000     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.618 ppm2      1.449 CV     1
 OR { 1227}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 61   and name HB  ))
 OR { 1227}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 61   and name HB  ))
 OR { 1227}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 61   and name HB  ))
 OR { 1227}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 48   and name HB3 ))
 OR { 1227}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HG3 ))
 OR { 1227}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
 OR { 1227}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 61   and name HB  ))
 ASSI { 1231}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
      2.700     1.400     1.400 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.61257E-02 ppm1      2.614 ppm2     -0.016 CV     1
 OR { 1231}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
 OR { 1231}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 1235}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      4.600     3.200     1.400 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.38102E-03 ppm1      4.694 ppm2      1.075 CV     1
 OR { 1235}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 5    and name HG12))
 ASSI { 1238}
   (( segid "    " and resid 55   and name HA1 ))
   (  segid "    " and resid 59   and name HD2%)
      3.900     2.400     2.100 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.69174E-03 ppm1      3.903 ppm2      0.833 CV     1
 OR { 1238}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 1238}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 1238}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
 OR { 1238}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1239}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      4.300     2.800     1.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.46602E-03 ppm1      3.899 ppm2      1.270 CV     1
 OR { 1239}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1240}
   (( segid "    " and resid 55   and name HA1 ))
   (  segid "    " and resid 54   and name HG2%)
      3.100     1.700     1.700 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.11050E-02 ppm1      3.908 ppm2      1.209 CV     1
 OR { 1240}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
 OR { 1240}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
 ASSI { 1244}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HB2 ))
      5.400     4.100     0.600 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.17439E-03 ppm1      2.615 ppm2      1.079 CV     1
 OR { 1244}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 1262}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      5.400     4.200     0.600 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.10845E-03 ppm1      3.899 ppm2      3.433 CV     1
 OR { 1262}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 1262}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1268}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.600     1.900 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.67852E-03 ppm1      0.680 ppm2      9.120 CV     1
 OR { 1268}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1270}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      5.000     3.600     1.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.21250E-03 ppm1      0.775 ppm2      9.185 CV     1
 OR { 1270}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 1271}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 65   and name HD21))
      5.300     4.000     0.700 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.16560E-03 ppm1      2.604 ppm2      7.562 CV     1
 OR { 1271}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 65   and name HD21))
 ASSI { 1274}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 65   and name HD21))
      6.000     5.000     0.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      7.562 CV     1
 OR { 1274}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 65   and name HD21))
 OR { 1274}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 65   and name HD21))
 ASSI { 1275}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 65   and name HD22))
      6.000     6.000     0.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.40008E-04 ppm1      1.445 ppm2      7.041 CV     1
 OR { 1275}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 65   and name HD22))
 OR { 1275}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 65   and name HD22))
 ASSI { 1279}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 58   and name HD% )
      5.000     3.600     1.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.12324E-03 ppm1      0.786 ppm2      7.103 CV     1
 OR { 1279}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 58   and name HD% )
 ASSI { 1280}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 58   and name HE% )
      4.200     2.700     1.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.16413E-03 ppm1      0.783 ppm2      7.201 CV     1
 OR { 1280}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 58   and name HE% )
 ASSI { 1286}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     5.000     0.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.782 ppm2      8.212 CV     1
 OR { 1286}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1294}
   (( segid "    " and resid 34   and name HA1 ))
   (  segid "    " and resid 5    and name HG2%)
      3.100     1.700     1.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.37223E-02 ppm1      2.808 ppm2      0.676 CV     1
 OR { 1294}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 61   and name HG2%)
 OR { 1294}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 67   and name HG1%)
 ASSI { 1295}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 67   and name HG1%)
      3.500     2.000     2.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.12178E-02 ppm1      3.007 ppm2      0.676 CV     1
 OR { 1295}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 1299}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.000     0.000 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.885 ppm2      8.730 CV     1
 OR { 1299}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1301}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.400     1.900     1.900 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.17146E-02 ppm1      4.851 ppm2      1.212 CV     1
 OR { 1301}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 54   and name HG2%)
 ASSI { 1303}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG13))
      6.000     5.000     0.000 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.672 ppm2      1.461 CV     1
 OR { 1303}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
 ASSI { 1305}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     5.000     0.000 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.896 ppm2      8.948 CV     1
 OR { 1305}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 1305}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 1305}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1315}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      5.400     4.200     0.600 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.22275E-03 ppm1      5.757 ppm2      3.278 CV     1
 OR { 1315}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HE3 ))
 ASSI { 1329}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.700 ppm2      8.739 CV     1
 OR { 1329}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 OR { 1329}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1330}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.720 ppm2      8.738 CV     1
 OR { 1330}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1345}
   (( segid "    " and resid 48   and name HE3 ))
   (  segid "    " and resid 15   and name HE% )
      6.000     5.000     0.000 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.277 ppm2      6.745 CV     1
 OR { 1345}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI { 1352}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      5.100     3.800     0.900 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.10698E-03 ppm1      1.445 ppm2      9.617 CV     1
 OR { 1352}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 47   and name HN  ))
 OR { 1352}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 47   and name HN  ))
 OR { 1352}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1373}
   (( segid "    " and resid 45   and name HE2 ))
   (  segid "    " and resid 29   and name HD1%)
      3.000     1.600     1.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      2.929 ppm2      0.733 CV     1
 OR { 1373}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
 OR { 1373}
   (( segid "    " and resid 45   and name HE3 ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI { 1374}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 29   and name HD2%)
      3.000     1.600     1.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      2.930 ppm2      0.768 CV     1
 OR { 1374}
   (( segid "    " and resid 45   and name HE2 ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 1374}
   (( segid "    " and resid 45   and name HE3 ))
   (  segid "    " and resid 29   and name HD2%)
 ASSI { 1376}
   (( segid "    " and resid 34   and name HA1 ))
   (  segid "    " and resid 33   and name HG1%)
      3.900     2.400     2.100 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.59645E-03 ppm1      2.803 ppm2      0.821 CV     1
 OR { 1376}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 1376}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 33   and name HG1%)
 OR { 1376}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 67   and name HG2%)
 OR { 1376}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 33   and name HG1%)
 OR { 1376}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI { 1378}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
      3.900     2.400     2.100 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.57007E-03 ppm1      2.809 ppm2      0.906 CV     1
 OR { 1378}
   (( segid "    " and resid 34   and name HA1 ))
   (  segid "    " and resid 44   and name HG2%)
 OR { 1378}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 1380}
   (( segid "    " and resid 17   and name HD2 ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     5.000     0.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.617 ppm2      0.710 CV     1
 OR { 1380}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
 ASSI { 1381}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 35   and name HG2%)
      4.200     2.700     1.800 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.28723E-03 ppm1      3.876 ppm2      0.933 CV     1
 OR { 1381}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 35   and name HG1%)
 OR { 1381}
   (( segid "    " and resid 55   and name HA1 ))
   (  segid "    " and resid 51   and name HG1%)
 OR { 1381}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
 OR { 1381}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 35   and name HG1%)
 ASSI { 1383}
   (( segid "    " and resid 6    and name HA1 ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     5.000     0.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.007 ppm2      0.870 CV     1
 OR { 1383}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI { 1385}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.500     3.000     1.500 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.42792E-03 ppm1      2.980 ppm2      0.824 CV     1
 OR { 1385}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 60   and name HD1%)
 OR { 1385}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
 OR { 1385}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1389}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 51   and name HG1%)
      6.000     5.000     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.562 ppm2      0.921 CV     1
 OR { 1389}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
 OR { 1389}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI { 1390}
   (( segid "    " and resid 34   and name HA2 ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     5.000     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      1.004 CV     1
 OR { 1390}
   (( segid "    " and resid 34   and name HA2 ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 1393}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.000     0.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      8.739 CV     1
 OR { 1393}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
 OR { 1393}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1394}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
      2.900     1.500     1.500 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.50706E-02 ppm1      2.612 ppm2      0.689 CV     1
 OR { 1394}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 61   and name HG2%)
 OR { 1394}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 5    and name HG2%)
 OR { 1394}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
 OR { 1394}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 67   and name HG1%)
 ASSI { 1405}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 60   and name HG2%)
      4.400     2.900     1.600 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.33120E-03 ppm1      4.622 ppm2      0.770 CV     1
 OR { 1405}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 1405}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 1406}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 29   and name HD2%)
      4.600     3.100     1.400 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.22862E-03 ppm1      2.460 ppm2      0.772 CV     1
 OR { 1406}
   (( segid "    " and resid 21   and name HG3 ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 1406}
   (( segid "    " and resid 23   and name HG2 ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 1406}
   (( segid "    " and resid 23   and name HG3 ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 1406}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1414}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      6.000     5.000     0.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.796 ppm2      6.746 CV     1
 OR { 1414}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI { 1415}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
      6.000     5.000     0.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.927 ppm2      6.743 CV     1
 OR { 1415}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
 OR { 1415}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI { 1418}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.000     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.463 ppm2      8.630 CV     1
 OR { 1418}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 8    and name HN  ))
 OR { 1418}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1422}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.000     0.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.201 ppm2      8.898 CV     1
 OR { 1422}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 1432}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 61   and name HG2%)
      3.500     2.100     2.100 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.10669E-02 ppm1      2.930 ppm2      0.671 CV     1
 OR { 1432}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 67   and name HG1%)
 OR { 1432}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 67   and name HG1%)
 ASSI { 1434}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 67   and name HG1%)
      6.000     5.000     0.000 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.133 ppm2      0.670 CV     1
 OR { 1434}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 1435}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.400     2.900     1.600 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.40154E-03 ppm1      4.615 ppm2      0.847 CV     1
 OR { 1435}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1436}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     5.000     0.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.714 ppm2      0.691 CV     1
 OR { 1436}
   (( segid "    " and resid 6    and name HA2 ))
   (  segid "    " and resid 5    and name HD1%)
 OR { 1436}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 OR { 1436}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1437}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      6.000     5.000     0.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.840 ppm2      1.113 CV     1
 OR { 1437}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
 OR { 1437}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI { 1439}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 29   and name HD2%)
      3.800     2.300     2.200 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.56421E-03 ppm1      2.045 ppm2      0.776 CV     1
 OR { 1439}
   (  segid "    " and resid 23   and name HE% )
   (  segid "    " and resid 60   and name HG2%)
 OR { 1439}
   (  segid "    " and resid 23   and name HE% )
   (  segid "    " and resid 29   and name HD2%)
 ASSI { 1443}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     5.000     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.987 ppm2      2.227 CV     1
 OR { 1443}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 17   and name HG3 ))
 OR { 1443}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 1446}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.300     1.900     1.900 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.64041E-03 ppm1      4.101 ppm2      2.930 CV     1
 OR { 1446}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1446}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
 OR { 1446}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 45   and name HE2 ))
 ASSI { 1448}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     5.000     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.713 ppm2      3.879 CV     1
 OR { 1448}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
 OR { 1448}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 1448}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI { 1450}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 29   and name HD2%)
      6.000     5.000     0.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.623 ppm2      0.783 CV     1
 OR { 1450}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
 OR { 1450}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 1450}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 1450}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
 OR { 1450}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 29   and name HD2%)
 OR { 1450}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1454}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      6.000     5.000     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.257 ppm2      0.827 CV     1
 OR { 1454}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 33   and name HG1%)
 ASSI { 1456}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 67   and name HG2%)
      6.000     5.000     0.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.928 ppm2      0.816 CV     1
 OR { 1456}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 67   and name HG2%)
 ASSI {  433}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     5.000     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.172 ppm2      8.954 CV     1
 OR {  433}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           1H       SER   1   2.134  18.178  -5.569
    2    H2   SER   1           2H       SER   1   0.943  17.584  -4.516
    3    H3   SER   1           3H       SER   1   0.610  18.921  -5.509
    4    HA   SER   1           HA       SER   1  -0.357  17.427  -6.824
    5    HB2  SER   1           1HB      SER   1   2.029  16.214  -7.887
    6    HB3  SER   1           2HB      SER   1   1.008  17.461  -8.609
    7    HG   SER   1           HG       SER   1   3.462  17.715  -7.602
    8    H    ALA   2           H        ALA   2   2.438  15.743  -5.400
    9    HA   ALA   2           HA       ALA   2   0.774  13.628  -4.406
   10    HB1  ALA   2           1HB      ALA   2   1.727  11.815  -5.659
   11    HB2  ALA   2           2HB      ALA   2   1.074  12.990  -6.799
   12    HB3  ALA   2           3HB      ALA   2   2.813  12.911  -6.513
   13    H    THR   3           H        THR   3   2.022  12.130  -3.068
   14    HA   THR   3           HA       THR   3   4.348  13.491  -1.957
   15    HB   THR   3           HB       THR   3   3.907  11.216  -0.437
   16    HG1  THR   3           1HG      THR   3   1.864  11.000  -1.582
   17   HG21  THR   3          3HG2      THR   3   2.593  13.105   0.972
   18   HG22  THR   3          1HG2      THR   3   3.453  14.122  -0.185
   19   HG23  THR   3          2HG2      THR   3   4.351  13.019   0.858
   20    H    THR   4           H        THR   4   6.282  12.946  -2.617
   21    HA   THR   4           HA       THR   4   6.768  10.388  -3.905
   22    HB   THR   4           HB       THR   4   8.990  12.295  -3.337
   23    HG1  THR   4           1HG      THR   4   6.989  12.741  -5.337
   24   HG21  THR   4          3HG2      THR   4   8.945  11.585  -6.023
   25   HG22  THR   4          1HG2      THR   4   8.377  10.140  -5.184
   26   HG23  THR   4          2HG2      THR   4   9.935  10.851  -4.762
   27    H    ILE   5           H        ILE   5   6.914   8.743  -2.498
   28    HA   ILE   5           HA       ILE   5   7.856   9.222   0.190
   29    HB   ILE   5           HB       ILE   5   6.993   7.148   0.792
   30   HG12  ILE   5          2HG1      ILE   5   6.483   5.998  -1.863
   31   HG13  ILE   5          1HG1      ILE   5   8.189   6.185  -1.476
   32   HG21  ILE   5          1HG2      ILE   5   5.043   8.229   0.402
   33   HG22  ILE   5          2HG2      ILE   5   5.416   8.523  -1.297
   34   HG23  ILE   5          3HG2      ILE   5   4.855   6.932  -0.780
   35   HD11  ILE   5          3HD1      ILE   5   8.026   4.234  -0.452
   36   HD12  ILE   5          1HD1      ILE   5   7.137   5.084   0.814
   37   HD13  ILE   5          2HD1      ILE   5   6.262   4.271  -0.485
   38    H    GLY   6           H        GLY   6   9.569   8.237   1.209
   39    HA2  GLY   6           1HA      GLY   6  11.590   7.007  -0.546
   40    HA3  GLY   6           2HA      GLY   6  11.928   7.789   0.996
   41    HA   PRO   7           HA       PRO   7  11.468   3.214   1.701
   42    HB2  PRO   7           1HB      PRO   7  13.875   2.707   2.767
   43    HB3  PRO   7           2HB      PRO   7  13.638   2.814   1.018
   44    HG2  PRO   7           1HG      PRO   7  14.754   4.843   2.909
   45    HG3  PRO   7           2HG      PRO   7  15.301   4.407   1.280
   46    HD2  PRO   7           1HD      PRO   7  13.743   6.602   1.863
   47    HD3  PRO   7           2HD      PRO   7  13.801   5.808   0.278
   48    H    ASN   8           H        ASN   8  11.695   5.957   3.526
   49    HA   ASN   8           HA       ASN   8  11.349   4.491   6.054
   50    HB2  ASN   8           1HB      ASN   8  13.534   5.987   5.570
   51    HB3  ASN   8           2HB      ASN   8  12.455   7.247   6.163
   52   HD21  ASN   8          1HD2      ASN   8  14.256   7.249   7.786
   53   HD22  ASN   8          2HD2      ASN   8  14.053   6.236   9.176
   54    H    THR   9           H        THR   9   9.214   5.161   4.402
   55    HA   THR   9           HA       THR   9   8.031   7.619   5.318
   56    HB   THR   9           HB       THR   9   6.053   5.872   4.263
   57    HG1  THR   9           1HG      THR   9   8.218   6.009   2.455
   58   HG21  THR   9          3HG2      THR   9   7.469   8.361   3.446
   59   HG22  THR   9          1HG2      THR   9   5.750   8.076   3.718
   60   HG23  THR   9          2HG2      THR   9   6.512   7.512   2.232
   61    H    CYS  10           H        CYS  10   7.342   4.164   5.832
   62    HA   CYS  10           HA       CYS  10   6.107   4.892   8.402
   63    HB2  CYS  10           1HB      CYS  10   5.221   2.793   6.415
   64    HB3  CYS  10           2HB      CYS  10   4.675   2.816   8.086
   65    H    SER  11           H        SER  11   7.772   4.437   9.738
   66    HA   SER  11           HA       SER  11   8.978   1.760   9.542
   67    HB2  SER  11           1HB      SER  11  10.377   3.537  11.338
   68    HB3  SER  11           2HB      SER  11  10.969   2.738   9.881
   69    HG   SER  11           HG       SER  11  10.907   4.612   8.954
   70    H    ILE  12           H        ILE  12   6.764   1.320  10.579
   71    HA   ILE  12           HA       ILE  12   7.067   1.435  13.511
   72    HB   ILE  12           HB       ILE  12   4.376   1.215  12.194
   73   HG12  ILE  12          2HG1      ILE  12   5.008   3.893  13.161
   74   HG13  ILE  12          1HG1      ILE  12   6.007   3.419  11.792
   75   HG21  ILE  12          1HG2      ILE  12   4.871   0.760  14.668
   76   HG22  ILE  12          2HG2      ILE  12   5.043   2.509  14.811
   77   HG23  ILE  12          3HG2      ILE  12   3.513   1.815  14.272
   78   HD11  ILE  12          3HD1      ILE  12   3.114   2.896  11.559
   79   HD12  ILE  12          1HD1      ILE  12   3.627   4.583  11.525
   80   HD13  ILE  12          2HD1      ILE  12   4.274   3.439  10.346
   81    H    ASP  13           H        ASP  13   7.691  -0.550  14.096
   82    HA   ASP  13           HA       ASP  13   7.626  -2.785  14.506
   83    HB2  ASP  13           1HB      ASP  13   5.147  -2.074  14.892
   84    HB3  ASP  13           2HB      ASP  13   4.844  -2.928  13.383
   85    H    ASP  14           H        ASP  14   5.300  -3.494  12.079
   86    HA   ASP  14           HA       ASP  14   7.371  -4.214  10.127
   87    HB2  ASP  14           1HB      ASP  14   6.635  -6.189  11.591
   88    HB3  ASP  14           2HB      ASP  14   5.074  -6.060  10.791
   89    H    TYR  15           H        TYR  15   5.173  -2.153  10.527
   90    HA   TYR  15           HA       TYR  15   3.314  -2.802   8.382
   91    HB2  TYR  15           1HB      TYR  15   3.426  -0.324  10.116
   92    HB3  TYR  15           2HB      TYR  15   2.098  -0.811   9.066
   93    HD1  TYR  15           1HD      TYR  15   1.090  -3.191   9.588
   94    HD2  TYR  15           2HD      TYR  15   3.316  -0.866  12.370
   95    HE1  TYR  15           1HE      TYR  15   0.110  -4.477  11.438
   96    HE2  TYR  15           2HE      TYR  15   2.340  -2.144  14.227
   97    HH   TYR  15           HH       TYR  15   1.163  -4.916  14.120
   98    H    LYS  16           H        LYS  16   4.285  -2.641   6.484
   99    HA   LYS  16           HA       LYS  16   6.274  -0.689   5.857
  100    HB2  LYS  16           1HB      LYS  16   5.072  -3.044   4.618
  101    HB3  LYS  16           2HB      LYS  16   5.408  -1.766   3.459
  102    HG2  LYS  16           1HG      LYS  16   7.662  -2.069   5.182
  103    HG3  LYS  16           2HG      LYS  16   7.199  -3.651   4.548
  104    HD2  LYS  16           1HD      LYS  16   7.008  -1.903   2.378
  105    HD3  LYS  16           2HD      LYS  16   8.490  -1.439   3.218
  106    HE2  LYS  16           2HE      LYS  16   8.618  -4.183   3.221
  107    HE3  LYS  16           1HE      LYS  16   7.889  -3.829   1.655
  108    HZ1  LYS  16           3HZ      LYS  16   9.726  -2.572   1.003
  109    HZ2  LYS  16           1HZ      LYS  16  10.410  -3.914   1.781
  110    HZ3  LYS  16           2HZ      LYS  16  10.322  -2.426   2.586
  111    HA   PRO  17           HA       PRO  17   3.644   2.439   4.091
  112    HB2  PRO  17           1HB      PRO  17   5.624   3.118   2.091
  113    HB3  PRO  17           2HB      PRO  17   5.202   3.995   3.563
  114    HG2  PRO  17           1HG      PRO  17   7.598   2.741   3.189
  115    HG3  PRO  17           2HG      PRO  17   6.863   3.002   4.782
  116    HD2  PRO  17           1HD      PRO  17   6.892   0.533   3.090
  117    HD3  PRO  17           2HD      PRO  17   7.098   0.699   4.848
  118    H    TYR  18           H        TYR  18   1.987   2.153   2.775
  119    HA   TYR  18           HA       TYR  18   2.428   0.829   0.180
  120    HB2  TYR  18           1HB      TYR  18   0.449   0.235   2.343
  121    HB3  TYR  18           2HB      TYR  18  -0.018  -0.028   0.668
  122    HD1  TYR  18           2HD      TYR  18   1.535  -1.531  -0.749
  123    HD2  TYR  18           1HD      TYR  18   1.615  -1.407   3.504
  124    HE1  TYR  18           2HE      TYR  18   2.625  -3.736  -0.710
  125    HE2  TYR  18           1HE      TYR  18   2.704  -3.610   3.555
  126    HH   TYR  18           HH       TYR  18   2.669  -5.728   1.536
  127    H    CYS  19           H        CYS  19   1.387   1.712  -1.537
  128    HA   CYS  19           HA       CYS  19  -0.123   4.175  -1.090
  129    HB2  CYS  19           1HB      CYS  19   1.725   3.405  -3.018
  130    HB3  CYS  19           2HB      CYS  19   0.184   3.317  -3.866
  131    H    CYS  20           H        CYS  20  -2.195   3.694  -0.535
  132    HA   CYS  20           HA       CYS  20  -3.473   1.444  -1.917
  133    HB2  CYS  20           1HB      CYS  20  -3.520   2.429   0.824
  134    HB3  CYS  20           2HB      CYS  20  -5.134   2.132   0.180
  135    H    GLN  21           H        GLN  21  -5.245   1.648  -3.079
  136    HA   GLN  21           HA       GLN  21  -6.742   4.185  -2.975
  137    HB2  GLN  21           1HB      GLN  21  -6.870   2.490  -5.421
  138    HB3  GLN  21           2HB      GLN  21  -6.968   4.240  -5.264
  139    HG2  GLN  21           1HG      GLN  21  -4.447   4.028  -4.617
  140    HG3  GLN  21           2HG      GLN  21  -4.571   2.481  -5.456
  141   HE21  GLN  21          1HE2      GLN  21  -6.124   5.587  -6.154
  142   HE22  GLN  21          2HE2      GLN  21  -5.447   5.762  -7.737
  143    H    SER  22           H        SER  22  -8.839   3.959  -2.424
  144    HA   SER  22           HA       SER  22  -9.781   1.339  -1.731
  145    HB2  SER  22           1HB      SER  22 -11.741   3.516  -1.644
  146    HB3  SER  22           2HB      SER  22 -11.178   2.452  -0.353
  147    HG   SER  22           HG       SER  22 -10.143   4.144   0.318
  148    H    MET  23           H        MET  23 -11.187   0.079  -2.800
  149    HA   MET  23           HA       MET  23 -11.850   0.775  -5.513
  150    HB2  MET  23           1HB      MET  23 -12.259  -1.672  -3.816
  151    HB3  MET  23           2HB      MET  23 -13.029  -1.524  -5.387
  152    HG2  MET  23           1HG      MET  23 -10.217  -0.885  -5.528
  153    HG3  MET  23           2HG      MET  23 -10.488  -2.491  -4.856
  154    HE1  MET  23           3HE      MET  23  -9.788  -4.250  -7.261
  155    HE2  MET  23           1HE      MET  23 -10.838  -4.323  -5.846
  156    HE3  MET  23           2HE      MET  23 -11.488  -4.691  -7.444
  157    H    SER  24           H        SER  24 -14.013   0.687  -6.387
  158    HA   SER  24           HA       SER  24 -15.782   2.326  -4.917
  159    HB2  SER  24           1HB      SER  24 -17.141   1.172  -7.124
  160    HB3  SER  24           2HB      SER  24 -16.402   2.772  -7.018
  161    HG   SER  24           HG       SER  24 -15.651   0.991  -8.648
  162    H    GLY  25           H        GLY  25 -16.680  -0.780  -6.432
  163    HA2  GLY  25           1HA      GLY  25 -18.490  -1.227  -4.147
  164    HA3  GLY  25           2HA      GLY  25 -18.741  -1.852  -5.769
  165    H    SER  26           H        SER  26 -15.637  -1.938  -4.208
  166    HA   SER  26           HA       SER  26 -15.954  -4.814  -3.717
  167    HB2  SER  26           1HB      SER  26 -13.254  -4.128  -4.542
  168    HB3  SER  26           2HB      SER  26 -14.338  -5.359  -5.188
  169    HG   SER  26           HG       SER  26 -15.140  -3.927  -6.625
  170    H    ALA  27           H        ALA  27 -15.079  -5.523  -1.835
  171    HA   ALA  27           HA       ALA  27 -14.148  -3.501   0.022
  172    HB1  ALA  27           1HB      ALA  27 -15.304  -6.184   0.200
  173    HB2  ALA  27           2HB      ALA  27 -14.048  -5.862   1.394
  174    HB3  ALA  27           3HB      ALA  27 -15.457  -4.806   1.291
  175    H    SER  28           H        SER  28 -12.277  -3.641  -1.862
  176    HA   SER  28           HA       SER  28 -10.055  -5.005  -0.517
  177    HB2  SER  28           1HB      SER  28  -9.962  -4.791  -3.487
  178    HB3  SER  28           2HB      SER  28  -9.289  -6.029  -2.427
  179    HG   SER  28           HG       SER  28 -11.337  -6.909  -2.186
  180    H    LEU  29           H        LEU  29  -8.403  -3.678  -0.101
  181    HA   LEU  29           HA       LEU  29  -8.352  -1.034  -1.293
  182    HB2  LEU  29           1HB      LEU  29  -6.443  -2.325   0.663
  183    HB3  LEU  29           2HB      LEU  29  -6.457  -0.631   0.211
  184    HG   LEU  29           HG       LEU  29  -8.723  -2.030   1.634
  185   HD11  LEU  29          1HD1      LEU  29  -7.270  -1.980   3.353
  186   HD12  LEU  29          2HD1      LEU  29  -6.254  -0.749   2.604
  187   HD13  LEU  29          3HD1      LEU  29  -7.743  -0.284   3.425
  188   HD21  LEU  29          3HD2      LEU  29  -9.897  -0.221   1.119
  189   HD22  LEU  29          1HD2      LEU  29  -8.748   0.749   2.037
  190   HD23  LEU  29          2HD2      LEU  29  -8.507   0.500   0.308
  191    H    GLY  30           H        GLY  30  -7.450  -0.735  -3.205
  192    HA2  GLY  30           1HA      GLY  30  -5.593  -2.635  -4.333
  193    HA3  GLY  30           2HA      GLY  30  -6.178  -1.160  -5.095
  194    H    CYS  31           H        CYS  31  -3.654  -2.622  -3.319
  195    HA   CYS  31           HA       CYS  31  -2.439   0.003  -2.792
  196    HB2  CYS  31           1HB      CYS  31  -2.901  -2.213  -1.108
  197    HB3  CYS  31           2HB      CYS  31  -1.162  -2.132  -1.364
  198    H    VAL  32           H        VAL  32  -0.464   0.469  -3.532
  199    HA   VAL  32           HA       VAL  32   1.064  -1.669  -4.868
  200    HB   VAL  32           HB       VAL  32   1.675   1.252  -5.226
  201   HG11  VAL  32          1HG1      VAL  32   2.187   0.112  -7.582
  202   HG12  VAL  32          2HG1      VAL  32   3.353   0.117  -6.259
  203   HG13  VAL  32          3HG1      VAL  32   2.357  -1.308  -6.550
  204   HG21  VAL  32          3HG2      VAL  32   0.092   0.168  -7.391
  205   HG22  VAL  32          1HG2      VAL  32  -0.809   0.195  -5.876
  206   HG23  VAL  32          2HG2      VAL  32  -0.098   1.682  -6.506
  207    H    VAL  33           H        VAL  33   3.153  -2.056  -4.178
  208    HA   VAL  33           HA       VAL  33   3.779  -1.298  -1.523
  209    HB   VAL  33           HB       VAL  33   4.496  -3.450  -2.423
  210   HG11  VAL  33          1HG1      VAL  33   5.020  -2.522  -4.723
  211   HG12  VAL  33          2HG1      VAL  33   6.577  -2.030  -4.056
  212   HG13  VAL  33          3HG1      VAL  33   6.127  -3.735  -4.083
  213   HG21  VAL  33          3HG2      VAL  33   7.132  -2.878  -1.914
  214   HG22  VAL  33          1HG2      VAL  33   6.279  -1.561  -1.108
  215   HG23  VAL  33          2HG2      VAL  33   5.900  -3.236  -0.704
  216    H    GLY  34           H        GLY  34   4.890   0.384  -0.750
  217    HA2  GLY  34           1HA      GLY  34   5.770   2.434  -2.551
  218    HA3  GLY  34           2HA      GLY  34   5.853   2.472  -0.795
  219    H    VAL  35           H        VAL  35   7.686   2.632  -3.430
  220    HA   VAL  35           HA       VAL  35   9.999   1.457  -2.036
  221    HB   VAL  35           HB       VAL  35  11.005   1.629  -4.485
  222   HG11  VAL  35          1HG1      VAL  35   9.340  -0.547  -3.279
  223   HG12  VAL  35          2HG1      VAL  35  10.119  -0.761  -4.848
  224   HG13  VAL  35          3HG1      VAL  35  11.095  -0.428  -3.417
  225   HG21  VAL  35          3HG2      VAL  35   8.564   0.606  -5.584
  226   HG22  VAL  35          1HG2      VAL  35   8.303   2.239  -4.970
  227   HG23  VAL  35          2HG2      VAL  35   9.573   1.935  -6.154
  228    H    ILE  36           H        ILE  36  12.076   2.625  -3.156
  229    HA   ILE  36           HA       ILE  36  11.913   5.287  -2.133
  230    HB   ILE  36           HB       ILE  36  14.235   4.194  -3.713
  231   HG12  ILE  36          2HG1      ILE  36  14.716   3.827  -0.953
  232   HG13  ILE  36          1HG1      ILE  36  13.125   3.143  -1.269
  233   HG21  ILE  36          1HG2      ILE  36  14.371   6.534  -3.162
  234   HG22  ILE  36          2HG2      ILE  36  14.004   6.193  -1.471
  235   HG23  ILE  36          3HG2      ILE  36  15.524   5.638  -2.173
  236   HD11  ILE  36          3HD1      ILE  36  14.027   1.687  -2.948
  237   HD12  ILE  36          1HD1      ILE  36  15.614   2.444  -2.807
  238   HD13  ILE  36          2HD1      ILE  36  14.959   1.509  -1.462
  239    H    GLY  37           H        GLY  37  10.855   6.792  -3.274
  240    HA2  GLY  37           1HA      GLY  37  11.125   8.476  -4.960
  241    HA3  GLY  37           2HA      GLY  37  11.786   7.249  -6.029
  242    H    SER  38           H        SER  38   8.987   6.376  -4.234
  243    HA   SER  38           HA       SER  38   7.455   6.161  -6.665
  244    HB2  SER  38           1HB      SER  38   6.318   5.699  -3.922
  245    HB3  SER  38           2HB      SER  38   5.916   4.898  -5.441
  246    HG   SER  38           HG       SER  38   8.242   4.574  -3.852
  247    H    GLN  39           H        GLN  39   6.142   7.640  -7.467
  248    HA   GLN  39           HA       GLN  39   5.499  10.022  -5.967
  249    HB2  GLN  39           1HB      GLN  39   6.015   9.940  -8.463
  250    HB3  GLN  39           2HB      GLN  39   4.415   9.242  -8.676
  251    HG2  GLN  39           1HG      GLN  39   4.154  11.526  -9.105
  252    HG3  GLN  39           2HG      GLN  39   3.516  11.288  -7.480
  253   HE21  GLN  39          1HE2      GLN  39   4.905  13.536  -9.092
  254   HE22  GLN  39          2HE2      GLN  39   6.076  14.157  -7.970
  255    H    CYS  40           H        CYS  40   4.315   9.063  -4.273
  256    HA   CYS  40           HA       CYS  40   1.981   7.489  -4.804
  257    HB2  CYS  40           1HB      CYS  40   3.567   8.256  -2.490
  258    HB3  CYS  40           2HB      CYS  40   1.837   8.326  -2.156
  259    H    GLY  41           H        GLY  41   0.448   8.589  -5.893
  260    HA2  GLY  41           1HA      GLY  41  -0.487  11.152  -4.820
  261    HA3  GLY  41           2HA      GLY  41  -0.946  10.452  -6.367
  262    H    ALA  42           H        ALA  42  -0.905   8.381  -3.655
  263    HA   ALA  42           HA       ALA  42  -3.822   8.580  -3.357
  264    HB1  ALA  42           1HB      ALA  42  -2.137   6.125  -3.777
  265    HB2  ALA  42           2HB      ALA  42  -3.730   6.043  -3.021
  266    HB3  ALA  42           3HB      ALA  42  -3.566   6.647  -4.670
  267    H    SER  43           H        SER  43  -4.233   6.796  -1.363
  268    HA   SER  43           HA       SER  43  -3.201   8.154   0.915
  269    HB2  SER  43           1HB      SER  43  -4.476   5.513   1.296
  270    HB3  SER  43           2HB      SER  43  -4.845   7.065   2.048
  271    HG   SER  43           HG       SER  43  -6.203   7.541   0.468
  272    H    VAL  44           H        VAL  44  -1.102   7.920   1.390
  273    HA   VAL  44           HA       VAL  44   0.253   5.373   1.110
  274    HB   VAL  44           HB       VAL  44   1.547   7.623   2.569
  275   HG11  VAL  44          1HG1      VAL  44   2.457   5.266   1.741
  276   HG12  VAL  44          2HG1      VAL  44   2.778   6.198   0.279
  277   HG13  VAL  44          3HG1      VAL  44   3.484   6.698   1.815
  278   HG21  VAL  44          3HG2      VAL  44   1.864   9.018   0.754
  279   HG22  VAL  44          1HG2      VAL  44   1.476   7.757  -0.416
  280   HG23  VAL  44          2HG2      VAL  44   0.192   8.508   0.528
  281    H    LYS  45           H        LYS  45  -0.760   4.032   2.582
  282    HA   LYS  45           HA       LYS  45  -0.781   4.865   5.397
  283    HB2  LYS  45           1HB      LYS  45  -1.999   2.277   4.665
  284    HB3  LYS  45           2HB      LYS  45  -2.604   3.546   5.718
  285    HG2  LYS  45           1HG      LYS  45  -2.705   4.618   3.145
  286    HG3  LYS  45           2HG      LYS  45  -3.270   2.955   2.987
  287    HD2  LYS  45           1HD      LYS  45  -4.335   4.431   5.299
  288    HD3  LYS  45           2HD      LYS  45  -4.844   5.034   3.720
  289    HE2  LYS  45           2HE      LYS  45  -6.074   3.188   3.263
  290    HE3  LYS  45           1HE      LYS  45  -4.954   2.107   4.091
  291    HZ1  LYS  45           3HZ      LYS  45  -5.844   2.815   6.203
  292    HZ2  LYS  45           1HZ      LYS  45  -7.113   2.268   5.214
  293    HZ3  LYS  45           2HZ      LYS  45  -6.873   3.931   5.441
  294    H    CYS  46           H        CYS  46  -0.275   3.122   6.990
  295    HA   CYS  46           HA       CYS  46   1.991   1.505   6.050
  296    HB2  CYS  46           1HB      CYS  46   1.614   1.958   8.959
  297    HB3  CYS  46           2HB      CYS  46   3.097   1.909   8.010
  298    H    CYS  47           H        CYS  47   1.335  -0.493   5.662
  299    HA   CYS  47           HA       CYS  47  -0.487  -1.770   7.593
  300    HB2  CYS  47           1HB      CYS  47  -0.549  -2.592   4.724
  301    HB3  CYS  47           2HB      CYS  47  -1.825  -2.647   5.935
  302    H    LYS  48           H        LYS  48  -0.332  -4.168   7.604
  303    HA   LYS  48           HA       LYS  48   2.476  -4.931   7.212
  304    HB2  LYS  48           1HB      LYS  48   0.910  -5.233   9.415
  305    HB3  LYS  48           2HB      LYS  48   0.650  -6.780   8.623
  306    HG2  LYS  48           1HG      LYS  48   3.375  -6.458   8.474
  307    HG3  LYS  48           2HG      LYS  48   2.973  -5.780  10.052
  308    HD2  LYS  48           1HD      LYS  48   3.240  -7.975  10.630
  309    HD3  LYS  48           2HD      LYS  48   1.521  -7.979  10.234
  310    HE2  LYS  48           2HE      LYS  48   2.963  -9.858   9.268
  311    HE3  LYS  48           1HE      LYS  48   1.883  -9.011   8.162
  312    HZ1  LYS  48           3HZ      LYS  48   4.169  -9.406   7.309
  313    HZ2  LYS  48           1HZ      LYS  48   4.758  -8.338   8.488
  314    HZ3  LYS  48           2HZ      LYS  48   3.696  -7.784   7.286
  315    H    ASP  49           H        ASP  49  -0.807  -5.739   6.482
  316    HA   ASP  49           HA       ASP  49  -1.771  -7.495   5.366
  317    HB2  ASP  49           1HB      ASP  49  -1.191  -5.497   3.802
  318    HB3  ASP  49           2HB      ASP  49  -0.053  -6.632   3.075
  319    H    ASP  50           H        ASP  50   0.206  -8.222   2.875
  320    HA   ASP  50           HA       ASP  50   1.719 -10.249   4.348
  321    HB2  ASP  50           1HB      ASP  50  -0.253 -11.385   3.433
  322    HB3  ASP  50           2HB      ASP  50   0.145 -10.792   1.821
  323    H    VAL  51           H        VAL  51   3.701  -9.455   4.066
  324    HA   VAL  51           HA       VAL  51   4.607  -9.027   1.295
  325    HB   VAL  51           HB       VAL  51   6.666  -8.469   3.228
  326   HG11  VAL  51          1HG1      VAL  51   5.735  -6.101   2.002
  327   HG12  VAL  51          2HG1      VAL  51   7.130  -7.087   1.559
  328   HG13  VAL  51          3HG1      VAL  51   5.557  -7.406   0.830
  329   HG21  VAL  51          3HG2      VAL  51   4.687  -8.066   4.718
  330   HG22  VAL  51          1HG2      VAL  51   5.737  -6.670   4.480
  331   HG23  VAL  51          2HG2      VAL  51   4.203  -6.777   3.615
  332    H    THR  52           H        THR  52   4.049 -11.524   2.889
  333    HA   THR  52           HA       THR  52   6.694 -12.703   3.160
  334    HB   THR  52           HB       THR  52   4.545 -14.535   3.715
  335    HG1  THR  52           1HG      THR  52   3.146 -13.021   4.329
  336   HG21  THR  52          3HG2      THR  52   5.672 -13.834   6.114
  337   HG22  THR  52          1HG2      THR  52   6.955 -13.447   4.969
  338   HG23  THR  52          2HG2      THR  52   6.286 -15.078   5.028
  339    H    ASN  53           H        ASN  53   3.647 -13.271   1.392
  340    HA   ASN  53           HA       ASN  53   5.213 -14.935  -0.479
  341    HB2  ASN  53           1HB      ASN  53   3.451 -16.192   0.808
  342    HB3  ASN  53           2HB      ASN  53   2.241 -15.186   0.015
  343   HD21  ASN  53          1HD2      ASN  53   1.283 -16.245  -1.558
  344   HD22  ASN  53          2HD2      ASN  53   2.048 -17.324  -2.679
  345    H    THR  54           H        THR  54   2.909 -12.372  -0.074
  346    HA   THR  54           HA       THR  54   2.806 -11.979  -2.982
  347    HB   THR  54           HB       THR  54   1.189 -10.166  -1.346
  348    HG1  THR  54           1HG      THR  54   1.137 -12.196  -0.102
  349   HG21  THR  54          3HG2      THR  54   0.528 -12.097  -3.573
  350   HG22  THR  54          1HG2      THR  54   0.948 -10.396  -3.771
  351   HG23  THR  54          2HG2      THR  54  -0.543 -10.846  -2.943
  352    H    GLY  55           H        GLY  55   2.887  -9.656  -3.710
  353    HA2  GLY  55           1HA      GLY  55   3.544  -7.375  -2.755
  354    HA3  GLY  55           2HA      GLY  55   4.972  -8.232  -2.193
  355    H    ASN  56           H        ASN  56   3.139  -7.536  -5.162
  356    HA   ASN  56           HA       ASN  56   5.728  -7.315  -6.540
  357    HB2  ASN  56           1HB      ASN  56   4.437  -7.960  -8.650
  358    HB3  ASN  56           2HB      ASN  56   4.752  -9.246  -7.491
  359   HD21  ASN  56          1HD2      ASN  56   3.104 -10.402  -6.781
  360   HD22  ASN  56          2HD2      ASN  56   1.424 -10.045  -7.053
  361    H    SER  57           H        SER  57   3.603  -6.547  -8.817
  362    HA   SER  57           HA       SER  57   4.063  -3.731  -8.505
  363    HB2  SER  57           1HB      SER  57   2.229  -4.653 -10.626
  364    HB3  SER  57           2HB      SER  57   3.666  -3.636 -10.740
  365    HG   SER  57           HG       SER  57   4.641  -5.347 -11.460
  366    H    PHE  58           H        PHE  58   1.627  -5.891  -7.555
  367    HA   PHE  58           HA       PHE  58   0.034  -3.679  -6.583
  368    HB2  PHE  58           1HB      PHE  58  -0.735  -4.785  -8.972
  369    HB3  PHE  58           2HB      PHE  58  -1.665  -5.736  -7.818
  370    HD1  PHE  58           2HD      PHE  58  -0.777  -2.170  -8.481
  371    HD2  PHE  58           1HD      PHE  58  -3.744  -4.952  -7.230
  372    HE1  PHE  58           2HE      PHE  58  -2.411  -0.343  -8.315
  373    HE2  PHE  58           1HE      PHE  58  -5.385  -3.128  -7.054
  374    HZ   PHE  58           HZ       PHE  58  -4.722  -0.820  -7.598
  375    H    LEU  59           H        LEU  59  -1.281  -4.226  -4.850
  376    HA   LEU  59           HA       LEU  59  -1.407  -7.001  -3.980
  377    HB2  LEU  59           1HB      LEU  59   0.460  -5.183  -2.897
  378    HB3  LEU  59           2HB      LEU  59  -0.821  -5.327  -1.711
  379    HG   LEU  59           HG       LEU  59   0.689  -7.668  -2.872
  380   HD11  LEU  59          1HD1      LEU  59   2.324  -7.247  -1.444
  381   HD12  LEU  59          2HD1      LEU  59   1.505  -5.771  -0.929
  382   HD13  LEU  59          3HD1      LEU  59   1.174  -7.295  -0.107
  383   HD21  LEU  59          3HD2      LEU  59  -0.465  -8.264  -0.383
  384   HD22  LEU  59          1HD2      LEU  59  -1.717  -7.458  -1.326
  385   HD23  LEU  59          2HD2      LEU  59  -0.923  -8.897  -1.963
  386    H    ILE  60           H        ILE  60  -3.302  -7.430  -2.911
  387    HA   ILE  60           HA       ILE  60  -5.104  -5.140  -2.557
  388    HB   ILE  60           HB       ILE  60  -5.536  -7.937  -3.431
  389   HG12  ILE  60          2HG1      ILE  60  -7.513  -6.631  -4.545
  390   HG13  ILE  60          1HG1      ILE  60  -6.612  -5.206  -4.036
  391   HG21  ILE  60          1HG2      ILE  60  -7.712  -8.210  -2.592
  392   HG22  ILE  60          2HG2      ILE  60  -6.750  -7.712  -1.201
  393   HG23  ILE  60          3HG2      ILE  60  -7.791  -6.545  -2.018
  394   HD11  ILE  60          3HD1      ILE  60  -4.832  -5.686  -5.442
  395   HD12  ILE  60          1HD1      ILE  60  -5.299  -7.379  -5.618
  396   HD13  ILE  60          2HD1      ILE  60  -6.248  -6.115  -6.401
  397    H    ILE  61           H        ILE  61  -5.405  -4.476  -0.570
  398    HA   ILE  61           HA       ILE  61  -4.876  -6.283   1.670
  399    HB   ILE  61           HB       ILE  61  -5.361  -3.298   1.672
  400   HG12  ILE  61          2HG1      ILE  61  -2.786  -4.825   2.113
  401   HG13  ILE  61          1HG1      ILE  61  -3.234  -4.070   0.586
  402   HG21  ILE  61          1HG2      ILE  61  -5.936  -3.805   3.814
  403   HG22  ILE  61          2HG2      ILE  61  -4.995  -5.297   3.829
  404   HG23  ILE  61          3HG2      ILE  61  -4.185  -3.742   4.020
  405   HD11  ILE  61          3HD1      ILE  61  -3.177  -1.895   1.582
  406   HD12  ILE  61          1HD1      ILE  61  -2.920  -2.590   3.184
  407   HD13  ILE  61          2HD1      ILE  61  -1.669  -2.733   1.950
  408    H    ASN  62           H        ASN  62  -6.462  -7.157   2.823
  409    HA   ASN  62           HA       ASN  62  -9.205  -6.572   2.086
  410    HB2  ASN  62           1HB      ASN  62  -7.975  -8.896   2.650
  411    HB3  ASN  62           2HB      ASN  62  -8.613  -8.518   4.247
  412   HD21  ASN  62          1HD2      ASN  62 -10.272  -9.852   4.483
  413   HD22  ASN  62          2HD2      ASN  62 -11.619  -9.978   3.394
  414    H    ALA  63           H        ALA  63  -8.064  -4.428   3.354
  415    HA   ALA  63           HA       ALA  63  -8.603  -2.821   4.846
  416    HB1  ALA  63           1HB      ALA  63 -10.813  -2.815   4.965
  417    HB2  ALA  63           2HB      ALA  63 -10.896  -4.576   4.903
  418    HB3  ALA  63           3HB      ALA  63 -10.652  -3.757   6.446
  419    H    ALA  64           H        ALA  64  -9.060  -5.900   6.612
  420    HA   ALA  64           HA       ALA  64  -8.103  -4.694   9.052
  421    HB1  ALA  64           1HB      ALA  64  -8.502  -7.626   8.856
  422    HB2  ALA  64           2HB      ALA  64  -8.983  -6.498  10.124
  423    HB3  ALA  64           3HB      ALA  64  -9.909  -6.588   8.625
  424    H    ASN  65           H        ASN  65  -6.064  -4.475   7.316
  425    HA   ASN  65           HA       ASN  65  -4.046  -6.169   8.576
  426    HB2  ASN  65           1HB      ASN  65  -4.918  -6.550   5.906
  427    HB3  ASN  65           2HB      ASN  65  -3.310  -5.833   5.836
  428   HD21  ASN  65          1HD2      ASN  65  -3.732  -8.332   4.919
  429   HD22  ASN  65          2HD2      ASN  65  -2.965  -9.472   5.965
  430    H    CYS  66           H        CYS  66  -5.101  -3.268   8.204
  431    HA   CYS  66           HA       CYS  66  -2.440  -2.048   7.987
  432    HB2  CYS  66           1HB      CYS  66  -4.080  -1.694   5.986
  433    HB3  CYS  66           2HB      CYS  66  -4.908  -0.590   7.079
  434    H    VAL  67           H        VAL  67  -2.034  -0.333   9.406
  435    HA   VAL  67           HA       VAL  67  -4.010  -0.074  11.577
  436    HB   VAL  67           HB       VAL  67  -2.073   0.737  12.961
  437   HG11  VAL  67          1HG1      VAL  67  -1.195  -1.938  12.174
  438   HG12  VAL  67          2HG1      VAL  67  -1.805  -1.351  13.722
  439   HG13  VAL  67          3HG1      VAL  67  -2.933  -1.801  12.443
  440   HG21  VAL  67          3HG2      VAL  67  -0.479  -0.240  10.597
  441   HG22  VAL  67          1HG2      VAL  67  -0.562   1.414  11.203
  442   HG23  VAL  67          2HG2      VAL  67   0.195   0.154  12.178
  443    H    ALA  68           H        ALA  68  -3.467   1.451   8.917
  444    HA   ALA  68           HA       ALA  68  -3.886   4.101  10.093
  445    HB1  ALA  68           1HB      ALA  68  -2.236   3.775   7.606
  446    HB2  ALA  68           2HB      ALA  68  -2.377   5.179   8.663
  447    HB3  ALA  68           3HB      ALA  68  -1.495   3.752   9.206
  Start of MODEL    2
    1    H1   SER   1           1H       SER   1  -1.102  17.842  -5.144
    2    H2   SER   1           2H       SER   1   0.355  17.284  -4.481
    3    H3   SER   1           3H       SER   1  -1.122  16.687  -3.897
    4    HA   SER   1           HA       SER   1  -1.588  15.712  -6.054
    5    HB2  SER   1           1HB      SER   1   1.102  15.790  -7.091
    6    HB3  SER   1           2HB      SER   1  -0.401  16.290  -7.864
    7    HG   SER   1           HG       SER   1   0.299  18.250  -7.631
    8    H    ALA   2           H        ALA   2   1.888  15.218  -5.708
    9    HA   ALA   2           HA       ALA   2   1.280  12.603  -4.497
   10    HB1  ALA   2           1HB      ALA   2   2.776  13.272  -6.795
   11    HB2  ALA   2           2HB      ALA   2   3.914  12.681  -5.586
   12    HB3  ALA   2           3HB      ALA   2   2.543  11.683  -6.070
   13    H    THR   3           H        THR   3   2.757  11.762  -2.926
   14    HA   THR   3           HA       THR   3   3.965  13.861  -1.298
   15    HB   THR   3           HB       THR   3   4.211  11.452   0.076
   16    HG1  THR   3           1HG      THR   3   1.541  11.430  -0.649
   17   HG21  THR   3          3HG2      THR   3   3.116  12.627   1.640
   18   HG22  THR   3          1HG2      THR   3   1.715  12.867   0.595
   19   HG23  THR   3          2HG2      THR   3   3.104  13.947   0.470
   20    H    THR   4           H        THR   4   4.852  11.153  -3.263
   21    HA   THR   4           HA       THR   4   6.816  10.139  -3.793
   22    HB   THR   4           HB       THR   4   8.336  12.468  -2.651
   23    HG1  THR   4           1HG      THR   4   7.464  13.780  -4.055
   24   HG21  THR   4          3HG2      THR   4   8.694  10.702  -5.076
   25   HG22  THR   4          1HG2      THR   4   9.654  10.672  -3.596
   26   HG23  THR   4          2HG2      THR   4   9.727  12.071  -4.668
   27    H    ILE   5           H        ILE   5   6.750   8.428  -2.365
   28    HA   ILE   5           HA       ILE   5   7.536   8.852   0.393
   29    HB   ILE   5           HB       ILE   5   6.580   6.845   0.928
   30   HG12  ILE   5          2HG1      ILE   5   6.353   5.432  -1.586
   31   HG13  ILE   5          1HG1      ILE   5   8.031   5.851  -1.249
   32   HG21  ILE   5          1HG2      ILE   5   4.481   6.765  -0.021
   33   HG22  ILE   5          2HG2      ILE   5   5.011   8.402  -0.409
   34   HG23  ILE   5          3HG2      ILE   5   5.080   7.136  -1.637
   35   HD11  ILE   5          3HD1      ILE   5   6.995   3.612  -0.385
   36   HD12  ILE   5          1HD1      ILE   5   8.134   4.523   0.606
   37   HD13  ILE   5          2HD1      ILE   5   6.402   4.638   0.921
   38    H    GLY   6           H        GLY   6   9.075   7.453   1.460
   39    HA2  GLY   6           1HA      GLY   6  11.034   6.018  -0.069
   40    HA3  GLY   6           2HA      GLY   6  11.633   7.568   0.512
   41    HA   PRO   7           HA       PRO   7  12.297   4.605   3.967
   42    HB2  PRO   7           1HB      PRO   7  14.912   5.722   4.331
   43    HB3  PRO   7           2HB      PRO   7  14.493   4.121   3.725
   44    HG2  PRO   7           1HG      PRO   7  15.668   6.127   2.224
   45    HG3  PRO   7           2HG      PRO   7  14.783   4.742   1.558
   46    HD2  PRO   7           1HD      PRO   7  13.879   7.558   1.966
   47    HD3  PRO   7           2HD      PRO   7  13.488   6.425   0.656
   48    H    ASN   8           H        ASN   8  10.753   6.781   4.323
   49    HA   ASN   8           HA       ASN   8  11.575   7.819   6.873
   50    HB2  ASN   8           1HB      ASN   8  12.391   9.814   6.263
   51    HB3  ASN   8           2HB      ASN   8  12.335   9.274   4.592
   52   HD21  ASN   8          1HD2      ASN   8  11.419  11.626   6.671
   53   HD22  ASN   8          2HD2      ASN   8  10.103  12.320   5.776
   54    H    THR   9           H        THR   9   9.247   7.129   4.513
   55    HA   THR   9           HA       THR   9   7.250   8.980   5.404
   56    HB   THR   9           HB       THR   9   6.597   6.633   3.683
   57    HG1  THR   9           1HG      THR   9   8.234   8.860   2.977
   58   HG21  THR   9          3HG2      THR   9   5.617   8.807   2.442
   59   HG22  THR   9          1HG2      THR   9   5.667   9.418   4.096
   60   HG23  THR   9          2HG2      THR   9   4.745   7.960   3.721
   61    H    CYS  10           H        CYS  10   7.940   5.560   5.972
   62    HA   CYS  10           HA       CYS  10   5.584   5.504   7.745
   63    HB2  CYS  10           1HB      CYS  10   5.831   3.846   5.720
   64    HB3  CYS  10           2HB      CYS  10   6.924   2.994   6.806
   65    H    SER  11           H        SER  11   5.859   5.112   9.849
   66    HA   SER  11           HA       SER  11   8.349   3.880  10.780
   67    HB2  SER  11           1HB      SER  11   7.506   5.949  12.617
   68    HB3  SER  11           2HB      SER  11   9.074   5.727  11.841
   69    HG   SER  11           HG       SER  11   8.567   7.158  10.365
   70    H    ILE  12           H        ILE  12   5.375   3.252  10.483
   71    HA   ILE  12           HA       ILE  12   4.525   3.042  13.263
   72    HB   ILE  12           HB       ILE  12   2.942   2.232  10.827
   73   HG12  ILE  12          2HG1      ILE  12   2.213   4.769  12.068
   74   HG13  ILE  12          1HG1      ILE  12   3.836   4.803  11.387
   75   HG21  ILE  12          1HG2      ILE  12   1.322   3.220  12.909
   76   HG22  ILE  12          2HG2      ILE  12   1.453   1.558  12.336
   77   HG23  ILE  12          3HG2      ILE  12   2.483   2.121  13.651
   78   HD11  ILE  12          3HD1      ILE  12   1.912   5.539   9.903
   79   HD12  ILE  12          1HD1      ILE  12   3.058   4.380   9.230
   80   HD13  ILE  12          2HD1      ILE  12   1.486   3.830   9.807
   81    H    ASP  13           H        ASP  13   5.706   1.396  14.120
   82    HA   ASP  13           HA       ASP  13   6.196  -0.730  14.732
   83    HB2  ASP  13           1HB      ASP  13   3.481  -0.568  14.404
   84    HB3  ASP  13           2HB      ASP  13   3.880  -1.963  13.408
   85    H    ASP  14           H        ASP  14   4.941  -2.985  12.955
   86    HA   ASP  14           HA       ASP  14   7.321  -3.192  11.270
   87    HB2  ASP  14           1HB      ASP  14   7.310  -5.434  11.644
   88    HB3  ASP  14           2HB      ASP  14   6.362  -4.971  13.049
   89    H    TYR  15           H        TYR  15   4.613  -1.797  10.783
   90    HA   TYR  15           HA       TYR  15   3.575  -3.159   8.461
   91    HB2  TYR  15           1HB      TYR  15   3.003  -0.364   9.478
   92    HB3  TYR  15           2HB      TYR  15   2.076  -1.231   8.257
   93    HD1  TYR  15           2HD      TYR  15   2.928  -1.092  11.839
   94    HD2  TYR  15           1HD      TYR  15   0.444  -2.886   8.890
   95    HE1  TYR  15           2HE      TYR  15   1.517  -2.035  13.612
   96    HE2  TYR  15           1HE      TYR  15  -0.979  -3.833  10.662
   97    HH   TYR  15           HH       TYR  15  -0.573  -4.484  13.199
   98    H    LYS  16           H        LYS  16   3.542  -2.178   6.326
   99    HA   LYS  16           HA       LYS  16   6.029  -0.682   5.795
  100    HB2  LYS  16           1HB      LYS  16   5.123  -2.166   3.499
  101    HB3  LYS  16           2HB      LYS  16   6.664  -2.258   4.338
  102    HG2  LYS  16           1HG      LYS  16   4.937  -3.637   5.995
  103    HG3  LYS  16           2HG      LYS  16   4.414  -4.082   4.369
  104    HD2  LYS  16           1HD      LYS  16   6.047  -5.634   4.578
  105    HD3  LYS  16           2HD      LYS  16   7.076  -4.293   4.071
  106    HE2  LYS  16           2HE      LYS  16   8.206  -5.004   5.936
  107    HE3  LYS  16           1HE      LYS  16   7.148  -3.784   6.640
  108    HZ1  LYS  16           3HZ      LYS  16   6.376  -5.337   7.986
  109    HZ2  LYS  16           1HZ      LYS  16   7.302  -6.537   7.222
  110    HZ3  LYS  16           2HZ      LYS  16   5.744  -6.183   6.656
  111    HA   PRO  17           HA       PRO  17   3.491   2.239   3.688
  112    HB2  PRO  17           1HB      PRO  17   5.565   3.011   1.862
  113    HB3  PRO  17           2HB      PRO  17   5.066   3.823   3.344
  114    HG2  PRO  17           1HG      PRO  17   7.496   2.563   2.970
  115    HG3  PRO  17           2HG      PRO  17   6.765   2.919   4.545
  116    HD2  PRO  17           1HD      PRO  17   6.856   0.356   3.028
  117    HD3  PRO  17           2HD      PRO  17   6.918   0.637   4.781
  118    H    TYR  18           H        TYR  18   2.062   2.168   2.072
  119    HA   TYR  18           HA       TYR  18   2.803   0.801  -0.421
  120    HB2  TYR  18           1HB      TYR  18   0.364   0.286   1.282
  121    HB3  TYR  18           2HB      TYR  18   0.458  -0.183  -0.412
  122    HD1  TYR  18           1HD      TYR  18   2.482  -1.677  -1.069
  123    HD2  TYR  18           2HD      TYR  18   1.092  -1.196   2.922
  124    HE1  TYR  18           1HE      TYR  18   3.596  -3.776  -0.432
  125    HE2  TYR  18           2HE      TYR  18   2.200  -3.288   3.570
  126    HH   TYR  18           HH       TYR  18   2.944  -5.420   2.379
  127    H    CYS  19           H        CYS  19   1.811   1.566  -2.258
  128    HA   CYS  19           HA       CYS  19   0.688   4.213  -2.088
  129    HB2  CYS  19           1HB      CYS  19   2.056   2.743  -4.050
  130    HB3  CYS  19           2HB      CYS  19   0.436   2.979  -4.698
  131    H    CYS  20           H        CYS  20  -1.106   3.445  -0.731
  132    HA   CYS  20           HA       CYS  20  -3.098   1.744  -1.933
  133    HB2  CYS  20           1HB      CYS  20  -2.909   3.209   0.694
  134    HB3  CYS  20           2HB      CYS  20  -4.364   2.346   0.209
  135    H    GLN  21           H        GLN  21  -4.820   2.345  -3.022
  136    HA   GLN  21           HA       GLN  21  -5.494   5.188  -3.171
  137    HB2  GLN  21           1HB      GLN  21  -6.912   3.187  -4.851
  138    HB3  GLN  21           2HB      GLN  21  -6.371   4.808  -5.258
  139    HG2  GLN  21           1HG      GLN  21  -4.250   2.824  -4.783
  140    HG3  GLN  21           2HG      GLN  21  -5.253   2.562  -6.206
  141   HE21  GLN  21          1HE2      GLN  21  -5.177   4.028  -7.900
  142   HE22  GLN  21          2HE2      GLN  21  -3.937   5.225  -8.032
  143    H    SER  22           H        SER  22  -7.887   5.664  -3.238
  144    HA   SER  22           HA       SER  22  -9.126   4.357  -0.962
  145    HB2  SER  22           1HB      SER  22 -10.518   6.526  -2.463
  146    HB3  SER  22           2HB      SER  22 -10.354   6.287  -0.723
  147    HG   SER  22           HG       SER  22  -7.976   6.758  -1.295
  148    H    MET  23           H        MET  23  -9.989   2.439  -1.517
  149    HA   MET  23           HA       MET  23 -11.361   2.115  -4.061
  150    HB2  MET  23           1HB      MET  23 -10.002   0.388  -2.207
  151    HB3  MET  23           2HB      MET  23 -11.623  -0.226  -2.504
  152    HG2  MET  23           1HG      MET  23 -10.688   0.453  -5.018
  153    HG3  MET  23           2HG      MET  23  -9.289  -0.245  -4.208
  154    HE1  MET  23           3HE      MET  23 -10.416  -1.853  -6.815
  155    HE2  MET  23           1HE      MET  23  -9.008  -2.047  -5.770
  156    HE3  MET  23           2HE      MET  23 -10.091  -3.409  -6.052
  157    H    SER  24           H        SER  24 -13.342   2.970  -4.070
  158    HA   SER  24           HA       SER  24 -15.056   2.799  -1.749
  159    HB2  SER  24           1HB      SER  24 -16.298   3.727  -4.226
  160    HB3  SER  24           2HB      SER  24 -16.138   4.543  -2.670
  161    HG   SER  24           HG       SER  24 -14.151   5.284  -3.250
  162    H    GLY  25           H        GLY  25 -14.547   1.075  -4.697
  163    HA2  GLY  25           1HA      GLY  25 -17.142  -0.077  -4.937
  164    HA3  GLY  25           2HA      GLY  25 -15.672  -0.650  -5.711
  165    H    SER  26           H        SER  26 -14.077  -1.616  -3.978
  166    HA   SER  26           HA       SER  26 -15.652  -3.582  -2.460
  167    HB2  SER  26           1HB      SER  26 -12.953  -4.442  -2.778
  168    HB3  SER  26           2HB      SER  26 -14.408  -5.134  -3.497
  169    HG   SER  26           HG       SER  26 -12.616  -3.236  -4.560
  170    H    ALA  27           H        ALA  27 -15.069  -4.102  -0.356
  171    HA   ALA  27           HA       ALA  27 -13.583  -2.091   1.086
  172    HB1  ALA  27           1HB      ALA  27 -15.051  -4.576   1.933
  173    HB2  ALA  27           2HB      ALA  27 -14.117  -3.594   3.063
  174    HB3  ALA  27           3HB      ALA  27 -15.494  -2.893   2.214
  175    H    SER  28           H        SER  28 -11.778  -2.859  -0.497
  176    HA   SER  28           HA       SER  28  -9.938  -4.476   1.081
  177    HB2  SER  28           1HB      SER  28 -10.090  -4.985  -1.882
  178    HB3  SER  28           2HB      SER  28  -9.415  -6.007  -0.613
  179    HG   SER  28           HG       SER  28 -11.832  -5.915   0.094
  180    H    LEU  29           H        LEU  29  -7.744  -3.910   0.689
  181    HA   LEU  29           HA       LEU  29  -7.576  -1.173  -0.261
  182    HB2  LEU  29           1HB      LEU  29  -6.062  -2.880   1.596
  183    HB3  LEU  29           2HB      LEU  29  -5.092  -1.746   0.674
  184    HG   LEU  29           HG       LEU  29  -5.739  -0.826   2.852
  185   HD11  LEU  29          1HD1      LEU  29  -6.021   0.405   0.337
  186   HD12  LEU  29          2HD1      LEU  29  -7.365   0.977   1.324
  187   HD13  LEU  29          3HD1      LEU  29  -5.706   1.178   1.888
  188   HD21  LEU  29          3HD2      LEU  29  -8.449  -1.567   1.895
  189   HD22  LEU  29          1HD2      LEU  29  -7.754  -1.656   3.514
  190   HD23  LEU  29          2HD2      LEU  29  -8.284  -0.105   2.865
  191    H    GLY  30           H        GLY  30  -7.510  -1.229  -2.450
  192    HA2  GLY  30           1HA      GLY  30  -5.681  -2.922  -3.889
  193    HA3  GLY  30           2HA      GLY  30  -6.654  -1.618  -4.566
  194    H    CYS  31           H        CYS  31  -3.654  -2.451  -2.990
  195    HA   CYS  31           HA       CYS  31  -2.629   0.247  -3.590
  196    HB2  CYS  31           1HB      CYS  31  -1.365  -1.567  -1.565
  197    HB3  CYS  31           2HB      CYS  31  -1.298   0.188  -1.674
  198    H    VAL  32           H        VAL  32  -0.096   0.109  -3.606
  199    HA   VAL  32           HA       VAL  32   0.901  -2.367  -4.772
  200    HB   VAL  32           HB       VAL  32   0.721  -1.392  -6.827
  201   HG11  VAL  32          1HG1      VAL  32   0.051   0.898  -5.386
  202   HG12  VAL  32          2HG1      VAL  32   1.357   1.385  -6.466
  203   HG13  VAL  32          3HG1      VAL  32  -0.099   0.638  -7.124
  204   HG21  VAL  32          3HG2      VAL  32   3.022  -1.661  -6.826
  205   HG22  VAL  32          1HG2      VAL  32   2.818   0.009  -7.364
  206   HG23  VAL  32          2HG2      VAL  32   3.278  -0.331  -5.695
  207    H    VAL  33           H        VAL  33   3.143  -2.665  -4.391
  208    HA   VAL  33           HA       VAL  33   4.034  -1.881  -1.905
  209    HB   VAL  33           HB       VAL  33   5.951  -2.566  -4.121
  210   HG11  VAL  33          1HG1      VAL  33   7.026  -2.017  -2.065
  211   HG12  VAL  33          2HG1      VAL  33   5.920  -3.039  -1.145
  212   HG13  VAL  33          3HG1      VAL  33   7.091  -3.770  -2.245
  213   HG21  VAL  33          3HG2      VAL  33   3.769  -4.185  -3.035
  214   HG22  VAL  33          1HG2      VAL  33   4.713  -4.393  -4.511
  215   HG23  VAL  33          2HG2      VAL  33   5.349  -4.967  -2.968
  216    H    GLY  34           H        GLY  34   4.509   0.071  -1.187
  217    HA2  GLY  34           1HA      GLY  34   5.433   2.163  -2.945
  218    HA3  GLY  34           2HA      GLY  34   5.134   2.298  -1.217
  219    H    VAL  35           H        VAL  35   7.468   1.909  -3.644
  220    HA   VAL  35           HA       VAL  35   9.535   1.197  -1.683
  221    HB   VAL  35           HB       VAL  35  11.000   1.011  -3.785
  222   HG11  VAL  35          1HG1      VAL  35   8.930  -1.073  -3.990
  223   HG12  VAL  35          2HG1      VAL  35  10.669  -1.217  -3.729
  224   HG13  VAL  35          3HG1      VAL  35   9.605  -0.813  -2.382
  225   HG21  VAL  35          3HG2      VAL  35   8.636   1.945  -4.994
  226   HG22  VAL  35          1HG2      VAL  35  10.125   1.432  -5.785
  227   HG23  VAL  35          2HG2      VAL  35   8.832   0.267  -5.502
  228    H    ILE  36           H        ILE  36  11.742   2.308  -2.343
  229    HA   ILE  36           HA       ILE  36  11.436   5.038  -1.742
  230    HB   ILE  36           HB       ILE  36  13.865   3.661  -2.890
  231   HG12  ILE  36          2HG1      ILE  36  13.240   4.222   0.014
  232   HG13  ILE  36          1HG1      ILE  36  12.894   2.678  -0.760
  233   HG21  ILE  36          1HG2      ILE  36  13.630   6.261  -2.834
  234   HG22  ILE  36          2HG2      ILE  36  13.938   6.058  -1.110
  235   HG23  ILE  36          3HG2      ILE  36  15.126   5.501  -2.290
  236   HD11  ILE  36          3HD1      ILE  36  15.562   3.214  -1.358
  237   HD12  ILE  36          1HD1      ILE  36  15.356   3.672   0.333
  238   HD13  ILE  36          2HD1      ILE  36  14.936   2.043  -0.196
  239    H    GLY  37           H        GLY  37  10.665   6.535  -3.044
  240    HA2  GLY  37           1HA      GLY  37  11.159   7.949  -4.960
  241    HA3  GLY  37           2HA      GLY  37  11.508   6.488  -5.873
  242    H    SER  38           H        SER  38   8.942   5.582  -4.147
  243    HA   SER  38           HA       SER  38   7.157   5.764  -6.345
  244    HB2  SER  38           1HB      SER  38   6.880   4.831  -3.497
  245    HB3  SER  38           2HB      SER  38   5.471   4.933  -4.553
  246    HG   SER  38           HG       SER  38   7.298   3.712  -5.966
  247    H    GLN  39           H        GLN  39   6.358   7.653  -6.979
  248    HA   GLN  39           HA       GLN  39   5.808   9.781  -5.114
  249    HB2  GLN  39           1HB      GLN  39   5.414   9.525  -8.098
  250    HB3  GLN  39           2HB      GLN  39   4.970  10.964  -7.189
  251    HG2  GLN  39           1HG      GLN  39   7.504  10.665  -6.362
  252    HG3  GLN  39           2HG      GLN  39   7.623   9.960  -7.973
  253   HE21  GLN  39          1HE2      GLN  39   7.127  12.840  -6.135
  254   HE22  GLN  39          2HE2      GLN  39   7.194  13.950  -7.468
  255    H    CYS  40           H        CYS  40   4.280   8.420  -3.889
  256    HA   CYS  40           HA       CYS  40   1.844   7.521  -4.977
  257    HB2  CYS  40           1HB      CYS  40   2.815   8.056  -2.188
  258    HB3  CYS  40           2HB      CYS  40   1.133   7.619  -2.481
  259    H    GLY  41           H        GLY  41   0.118   8.603  -5.599
  260    HA2  GLY  41           1HA      GLY  41  -0.401  11.243  -4.380
  261    HA3  GLY  41           2HA      GLY  41  -0.715  10.896  -6.077
  262    H    ALA  42           H        ALA  42  -1.445   9.336  -2.970
  263    HA   ALA  42           HA       ALA  42  -4.284   9.426  -3.569
  264    HB1  ALA  42           1HB      ALA  42  -2.745   6.853  -3.289
  265    HB2  ALA  42           2HB      ALA  42  -4.496   6.959  -3.106
  266    HB3  ALA  42           3HB      ALA  42  -3.742   7.379  -4.644
  267    H    SER  43           H        SER  43  -3.999   6.996  -1.424
  268    HA   SER  43           HA       SER  43  -4.542   8.773   0.791
  269    HB2  SER  43           1HB      SER  43  -4.477   5.750   0.828
  270    HB3  SER  43           2HB      SER  43  -5.321   6.824   1.945
  271    HG   SER  43           HG       SER  43  -6.810   7.278   0.431
  272    H    VAL  44           H        VAL  44  -1.965   6.728  -0.318
  273    HA   VAL  44           HA       VAL  44   0.070   6.134   0.514
  274    HB   VAL  44           HB       VAL  44   0.012   8.642   2.186
  275   HG11  VAL  44          1HG1      VAL  44   1.936   6.733   1.804
  276   HG12  VAL  44          2HG1      VAL  44   2.378   7.953   0.612
  277   HG13  VAL  44          3HG1      VAL  44   2.238   8.395   2.314
  278   HG21  VAL  44          3HG2      VAL  44   0.316   8.392  -0.798
  279   HG22  VAL  44          1HG2      VAL  44  -0.801   9.418   0.103
  280   HG23  VAL  44          2HG2      VAL  44   0.926   9.775   0.113
  281    H    LYS  45           H        LYS  45  -0.672   4.330   1.683
  282    HA   LYS  45           HA       LYS  45  -1.268   4.793   4.526
  283    HB2  LYS  45           1HB      LYS  45  -2.429   2.871   2.532
  284    HB3  LYS  45           2HB      LYS  45  -2.472   2.502   4.251
  285    HG2  LYS  45           1HG      LYS  45  -3.729   4.519   4.694
  286    HG3  LYS  45           2HG      LYS  45  -3.621   4.988   2.996
  287    HD2  LYS  45           1HD      LYS  45  -5.783   4.037   3.367
  288    HD3  LYS  45           2HD      LYS  45  -4.837   2.891   2.414
  289    HE2  LYS  45           2HE      LYS  45  -5.916   1.588   4.046
  290    HE3  LYS  45           1HE      LYS  45  -4.261   1.768   4.620
  291    HZ1  LYS  45           3HZ      LYS  45  -6.529   3.455   5.529
  292    HZ2  LYS  45           1HZ      LYS  45  -4.952   3.441   6.158
  293    HZ3  LYS  45           2HZ      LYS  45  -5.964   2.091   6.358
  294    H    CYS  46           H        CYS  46  -0.867   2.820   5.897
  295    HA   CYS  46           HA       CYS  46   1.560   1.407   5.008
  296    HB2  CYS  46           1HB      CYS  46   1.071   2.892   7.566
  297    HB3  CYS  46           2HB      CYS  46   2.157   1.509   7.555
  298    H    CYS  47           H        CYS  47   1.073  -0.643   4.830
  299    HA   CYS  47           HA       CYS  47  -0.829  -1.835   6.743
  300    HB2  CYS  47           1HB      CYS  47  -0.425  -2.570   3.837
  301    HB3  CYS  47           2HB      CYS  47  -1.565  -3.324   4.944
  302    H    LYS  48           H        LYS  48  -0.504  -4.132   7.164
  303    HA   LYS  48           HA       LYS  48   2.337  -4.859   6.997
  304    HB2  LYS  48           1HB      LYS  48   1.019  -4.829   9.213
  305    HB3  LYS  48           2HB      LYS  48   0.239  -6.290   8.620
  306    HG2  LYS  48           1HG      LYS  48   2.967  -6.729   8.260
  307    HG3  LYS  48           2HG      LYS  48   2.822  -5.952   9.839
  308    HD2  LYS  48           1HD      LYS  48   1.626  -7.680  10.734
  309    HD3  LYS  48           2HD      LYS  48   0.909  -8.126   9.184
  310    HE2  LYS  48           2HE      LYS  48   2.355  -9.877   9.522
  311    HE3  LYS  48           1HE      LYS  48   3.363  -8.784   8.575
  312    HZ1  LYS  48           3HZ      LYS  48   4.246  -7.935  10.728
  313    HZ2  LYS  48           1HZ      LYS  48   4.636  -9.551  10.399
  314    HZ3  LYS  48           2HZ      LYS  48   3.411  -9.189  11.510
  315    H    ASP  49           H        ASP  49  -0.848  -6.370   6.769
  316    HA   ASP  49           HA       ASP  49  -1.628  -8.194   5.700
  317    HB2  ASP  49           1HB      ASP  49  -1.026  -6.590   3.764
  318    HB3  ASP  49           2HB      ASP  49   0.353  -7.651   3.491
  319    H    ASP  50           H        ASP  50   0.027  -9.815   3.783
  320    HA   ASP  50           HA       ASP  50   1.972 -10.983   5.666
  321    HB2  ASP  50           1HB      ASP  50  -0.022 -12.442   5.399
  322    HB3  ASP  50           2HB      ASP  50   0.282 -12.503   3.665
  323    H    VAL  51           H        VAL  51   1.128 -10.041   2.440
  324    HA   VAL  51           HA       VAL  51   2.290  -9.763   0.515
  325    HB   VAL  51           HB       VAL  51   4.870  -9.803   2.064
  326   HG11  VAL  51          1HG1      VAL  51   5.459  -9.389  -0.093
  327   HG12  VAL  51          2HG1      VAL  51   3.888  -8.701  -0.505
  328   HG13  VAL  51          3HG1      VAL  51   5.066  -7.737   0.387
  329   HG21  VAL  51          3HG2      VAL  51   3.160  -7.347   1.843
  330   HG22  VAL  51          1HG2      VAL  51   3.040  -8.434   3.226
  331   HG23  VAL  51          2HG2      VAL  51   4.566  -7.627   2.869
  332    H    THR  52           H        THR  52   1.527 -12.203   0.642
  333    HA   THR  52           HA       THR  52   3.710 -14.103   0.604
  334    HB   THR  52           HB       THR  52   1.093 -14.977  -0.417
  335    HG1  THR  52           1HG      THR  52   1.275 -14.273   2.341
  336   HG21  THR  52          3HG2      THR  52   3.208 -15.902   1.456
  337   HG22  THR  52          1HG2      THR  52   2.399 -16.764   0.147
  338   HG23  THR  52          2HG2      THR  52   1.575 -16.527   1.687
  339    H    ASN  53           H        ASN  53   3.919 -12.043  -1.345
  340    HA   ASN  53           HA       ASN  53   3.970 -13.690  -3.759
  341    HB2  ASN  53           1HB      ASN  53   3.164 -11.828  -5.148
  342    HB3  ASN  53           2HB      ASN  53   1.950 -12.313  -3.972
  343   HD21  ASN  53          1HD2      ASN  53   1.296 -10.887  -2.429
  344   HD22  ASN  53          2HD2      ASN  53   1.798  -9.234  -2.390
  345    H    THR  54           H        THR  54   5.448 -12.774  -5.414
  346    HA   THR  54           HA       THR  54   7.864 -11.878  -4.104
  347    HB   THR  54           HB       THR  54   7.842 -12.160  -7.044
  348    HG1  THR  54           1HG      THR  54   7.312 -14.356  -5.290
  349   HG21  THR  54          3HG2      THR  54   9.741 -13.792  -6.285
  350   HG22  THR  54          1HG2      THR  54   9.558 -12.975  -4.733
  351   HG23  THR  54          2HG2      THR  54   9.981 -12.047  -6.173
  352    H    GLY  55           H        GLY  55   6.236  -9.817  -3.825
  353    HA2  GLY  55           1HA      GLY  55   6.112  -7.551  -4.142
  354    HA3  GLY  55           2HA      GLY  55   7.610  -7.694  -5.054
  355    H    ASN  56           H        ASN  56   4.118  -8.273  -5.365
  356    HA   ASN  56           HA       ASN  56   4.243  -8.112  -8.234
  357    HB2  ASN  56           1HB      ASN  56   2.549  -9.421  -6.711
  358    HB3  ASN  56           2HB      ASN  56   1.677  -7.891  -6.698
  359   HD21  ASN  56          1HD2      ASN  56   2.355 -10.728  -8.423
  360   HD22  ASN  56          2HD2      ASN  56   1.514 -10.324  -9.886
  361    H    SER  57           H        SER  57   2.820  -6.576  -9.438
  362    HA   SER  57           HA       SER  57   3.627  -3.917  -8.729
  363    HB2  SER  57           1HB      SER  57   1.834  -3.971 -10.962
  364    HB3  SER  57           2HB      SER  57   3.579  -3.702 -10.960
  365    HG   SER  57           HG       SER  57   2.438  -5.699 -12.044
  366    H    PHE  58           H        PHE  58   0.897  -5.822  -8.155
  367    HA   PHE  58           HA       PHE  58  -0.391  -3.523  -6.932
  368    HB2  PHE  58           1HB      PHE  58  -1.348  -4.397  -9.346
  369    HB3  PHE  58           2HB      PHE  58  -2.333  -5.318  -8.211
  370    HD1  PHE  58           1HD      PHE  58  -1.038  -1.829  -8.530
  371    HD2  PHE  58           2HD      PHE  58  -4.345  -4.368  -7.662
  372    HE1  PHE  58           1HE      PHE  58  -2.461   0.147  -8.179
  373    HE2  PHE  58           2HE      PHE  58  -5.772  -2.395  -7.310
  374    HZ   PHE  58           HZ       PHE  58  -4.830  -0.132  -7.567
  375    H    LEU  59           H        LEU  59  -1.216  -3.982  -5.007
  376    HA   LEU  59           HA       LEU  59  -1.409  -6.806  -4.216
  377    HB2  LEU  59           1HB      LEU  59   0.396  -4.761  -3.221
  378    HB3  LEU  59           2HB      LEU  59  -0.615  -5.399  -1.939
  379    HG   LEU  59           HG       LEU  59   0.202  -7.702  -3.129
  380   HD11  LEU  59          1HD1      LEU  59   1.675  -6.246  -4.609
  381   HD12  LEU  59          2HD1      LEU  59   2.635  -5.941  -3.161
  382   HD13  LEU  59          3HD1      LEU  59   2.456  -7.588  -3.772
  383   HD21  LEU  59          3HD2      LEU  59   0.219  -7.022  -0.718
  384   HD22  LEU  59          1HD2      LEU  59   1.601  -7.990  -1.228
  385   HD23  LEU  59          2HD2      LEU  59   1.775  -6.249  -1.014
  386    H    ILE  60           H        ILE  60  -3.534  -7.049  -3.895
  387    HA   ILE  60           HA       ILE  60  -5.108  -4.956  -2.670
  388    HB   ILE  60           HB       ILE  60  -5.820  -7.760  -3.557
  389   HG12  ILE  60          2HG1      ILE  60  -7.379  -5.813  -4.846
  390   HG13  ILE  60          1HG1      ILE  60  -5.745  -5.157  -4.819
  391   HG21  ILE  60          1HG2      ILE  60  -8.044  -7.443  -2.907
  392   HG22  ILE  60          2HG2      ILE  60  -7.110  -6.869  -1.524
  393   HG23  ILE  60          3HG2      ILE  60  -7.820  -5.712  -2.653
  394   HD11  ILE  60          3HD1      ILE  60  -4.894  -6.936  -6.068
  395   HD12  ILE  60          1HD1      ILE  60  -6.308  -7.945  -5.761
  396   HD13  ILE  60          2HD1      ILE  60  -6.437  -6.550  -6.833
  397    H    ILE  61           H        ILE  61  -4.447  -4.634  -0.647
  398    HA   ILE  61           HA       ILE  61  -3.784  -6.849   1.101
  399    HB   ILE  61           HB       ILE  61  -3.758  -3.866   1.613
  400   HG12  ILE  61          2HG1      ILE  61  -1.252  -5.430   1.382
  401   HG13  ILE  61          1HG1      ILE  61  -2.146  -5.164  -0.110
  402   HG21  ILE  61          1HG2      ILE  61  -2.202  -5.840   3.218
  403   HG22  ILE  61          2HG2      ILE  61  -2.756  -4.223   3.653
  404   HG23  ILE  61          3HG2      ILE  61  -3.904  -5.561   3.590
  405   HD11  ILE  61          3HD1      ILE  61  -0.310  -3.489   0.622
  406   HD12  ILE  61          1HD1      ILE  61  -1.827  -2.888  -0.052
  407   HD13  ILE  61          2HD1      ILE  61  -1.563  -2.864   1.692
  408    H    ASN  62           H        ASN  62  -4.847  -7.361   3.003
  409    HA   ASN  62           HA       ASN  62  -7.650  -6.890   3.086
  410    HB2  ASN  62           1HB      ASN  62  -6.507  -8.932   4.002
  411    HB3  ASN  62           2HB      ASN  62  -5.901  -7.935   5.321
  412   HD21  ASN  62          1HD2      ASN  62  -7.082  -9.526   6.626
  413   HD22  ASN  62          2HD2      ASN  62  -8.775  -9.266   6.910
  414    H    ALA  63           H        ALA  63  -8.770  -5.330   4.074
  415    HA   ALA  63           HA       ALA  63  -7.580  -2.989   5.023
  416    HB1  ALA  63           1HB      ALA  63 -10.378  -4.003   5.505
  417    HB2  ALA  63           2HB      ALA  63  -9.830  -2.341   5.728
  418    HB3  ALA  63           3HB      ALA  63  -9.838  -3.057   4.117
  419    H    ALA  64           H        ALA  64  -8.522  -5.913   6.684
  420    HA   ALA  64           HA       ALA  64  -8.292  -4.788   9.319
  421    HB1  ALA  64           1HB      ALA  64  -8.101  -7.487   9.687
  422    HB2  ALA  64           2HB      ALA  64  -9.610  -6.578   9.608
  423    HB3  ALA  64           3HB      ALA  64  -8.988  -7.385   8.168
  424    H    ASN  65           H        ASN  65  -6.046  -5.488   7.020
  425    HA   ASN  65           HA       ASN  65  -3.969  -6.079   9.025
  426    HB2  ASN  65           1HB      ASN  65  -4.485  -7.260   6.518
  427    HB3  ASN  65           2HB      ASN  65  -3.028  -6.292   6.307
  428   HD21  ASN  65          1HD2      ASN  65  -3.592  -9.259   6.497
  429   HD22  ASN  65          2HD2      ASN  65  -2.459  -9.816   7.680
  430    H    CYS  66           H        CYS  66  -5.377  -3.638   7.474
  431    HA   CYS  66           HA       CYS  66  -2.939  -1.995   7.318
  432    HB2  CYS  66           1HB      CYS  66  -5.714  -1.535   6.198
  433    HB3  CYS  66           2HB      CYS  66  -4.408  -0.359   6.120
  434    H    VAL  67           H        VAL  67  -2.596  -0.512   8.897
  435    HA   VAL  67           HA       VAL  67  -4.819   0.019  10.751
  436    HB   VAL  67           HB       VAL  67  -2.952   0.914  12.269
  437   HG11  VAL  67          1HG1      VAL  67  -3.898  -1.750  11.757
  438   HG12  VAL  67          2HG1      VAL  67  -2.247  -1.795  12.376
  439   HG13  VAL  67          3HG1      VAL  67  -3.513  -0.975  13.292
  440   HG21  VAL  67          3HG2      VAL  67  -1.396   0.279   9.998
  441   HG22  VAL  67          1HG2      VAL  67  -0.848   0.887  11.561
  442   HG23  VAL  67          2HG2      VAL  67  -0.943  -0.851  11.275
  443    H    ALA  68           H        ALA  68  -2.181   1.636   9.017
  444    HA   ALA  68           HA       ALA  68  -3.531   4.204   9.469
  445    HB1  ALA  68           1HB      ALA  68  -0.685   3.508   8.788
  446    HB2  ALA  68           2HB      ALA  68  -1.323   5.143   8.622
  447    HB3  ALA  68           3HB      ALA  68  -1.293   4.364  10.204
  Start of MODEL    3
    1    H1   SER   1           1H       SER   1   2.771  16.205  -9.976
    2    H2   SER   1           2H       SER   1   3.783  15.353  -8.917
    3    H3   SER   1           3H       SER   1   2.211  15.771  -8.435
    4    HA   SER   1           HA       SER   1   1.568  14.414 -10.552
    5    HB2  SER   1           1HB      SER   1   3.528  12.437  -9.959
    6    HB3  SER   1           2HB      SER   1   3.277  13.297 -11.478
    7    HG   SER   1           HG       SER   1   5.233  13.990 -11.025
    8    H    ALA   2           H        ALA   2   3.210  12.158  -8.545
    9    HA   ALA   2           HA       ALA   2   0.701  11.703  -7.071
   10    HB1  ALA   2           1HB      ALA   2   2.690   9.890  -8.289
   11    HB2  ALA   2           2HB      ALA   2   2.000   9.383  -6.747
   12    HB3  ALA   2           3HB      ALA   2   0.943   9.712  -8.119
   13    H    THR   3           H        THR   3   1.485  10.130  -5.024
   14    HA   THR   3           HA       THR   3   2.817  12.000  -3.307
   15    HB   THR   3           HB       THR   3   2.576   9.563  -1.956
   16    HG1  THR   3           1HG      THR   3   0.191   9.276  -2.496
   17   HG21  THR   3          3HG2      THR   3   2.044  11.482  -0.772
   18   HG22  THR   3          1HG2      THR   3   0.451  10.779  -1.057
   19   HG23  THR   3          2HG2      THR   3   1.017  12.115  -2.059
   20    H    THR   4           H        THR   4   4.898  12.100  -2.943
   21    HA   THR   4           HA       THR   4   6.598   9.906  -3.909
   22    HB   THR   4           HB       THR   4   7.772  12.532  -3.151
   23    HG1  THR   4           1HG      THR   4   5.654  12.446  -4.707
   24   HG21  THR   4          3HG2      THR   4   8.337  10.272  -4.955
   25   HG22  THR   4          1HG2      THR   4   9.446  11.327  -4.078
   26   HG23  THR   4          2HG2      THR   4   8.735  11.864  -5.598
   27    H    ILE   5           H        ILE   5   7.092   8.533  -2.330
   28    HA   ILE   5           HA       ILE   5   7.513   9.566   0.370
   29    HB   ILE   5           HB       ILE   5   6.891   7.569   1.208
   30   HG12  ILE   5          2HG1      ILE   5   7.447   5.513  -0.659
   31   HG13  ILE   5          1HG1      ILE   5   8.869   6.550  -0.606
   32   HG21  ILE   5          1HG2      ILE   5   4.981   7.071   0.208
   33   HG22  ILE   5          2HG2      ILE   5   5.480   8.143  -1.099
   34   HG23  ILE   5          3HG2      ILE   5   5.802   6.412  -1.207
   35   HD11  ILE   5          3HD1      ILE   5   7.939   6.054   2.050
   36   HD12  ILE   5          1HD1      ILE   5   8.142   4.531   1.184
   37   HD13  ILE   5          2HD1      ILE   5   9.491   5.660   1.311
   38    H    GLY   6           H        GLY   6   9.440   9.437   1.430
   39    HA2  GLY   6           1HA      GLY   6  11.749   8.933  -0.315
   40    HA3  GLY   6           2HA      GLY   6  11.748   9.977   1.098
   41    HA   PRO   7           HA       PRO   7  13.640   6.335   2.870
   42    HB2  PRO   7           1HB      PRO   7  14.585   7.510   5.103
   43    HB3  PRO   7           2HB      PRO   7  15.334   7.758   3.523
   44    HG2  PRO   7           1HG      PRO   7  13.488   9.541   5.043
   45    HG3  PRO   7           2HG      PRO   7  14.911   9.962   4.072
   46    HD2  PRO   7           1HD      PRO   7  12.308  10.177   3.203
   47    HD3  PRO   7           2HD      PRO   7  13.713  10.008   2.136
   48    H    ASN   8           H        ASN   8  11.239   5.784   3.012
   49    HA   ASN   8           HA       ASN   8   9.674   4.642   4.177
   50    HB2  ASN   8           1HB      ASN   8  11.639   3.715   5.423
   51    HB3  ASN   8           2HB      ASN   8  11.421   4.990   6.620
   52   HD21  ASN   8          1HD2      ASN   8  11.128   3.301   8.175
   53   HD22  ASN   8          2HD2      ASN   8   9.593   2.505   8.307
   54    H    THR   9           H        THR   9   7.994   6.016   4.044
   55    HA   THR   9           HA       THR   9   7.680   8.176   5.954
   56    HB   THR   9           HB       THR   9   5.517   7.312   4.073
   57    HG1  THR   9           1HG      THR   9   7.852   8.786   3.326
   58   HG21  THR   9          3HG2      THR   9   5.145   9.720   3.898
   59   HG22  THR   9          1HG2      THR   9   6.565  10.027   4.899
   60   HG23  THR   9          2HG2      THR   9   5.155   9.224   5.591
   61    H    CYS  10           H        CYS  10   7.554   5.109   6.465
   62    HA   CYS  10           HA       CYS  10   5.316   5.325   8.344
   63    HB2  CYS  10           1HB      CYS  10   5.903   3.066   6.439
   64    HB3  CYS  10           2HB      CYS  10   5.028   2.784   7.942
   65    H    SER  11           H        SER  11   7.602   6.023   9.279
   66    HA   SER  11           HA       SER  11   9.328   3.867  10.060
   67    HB2  SER  11           1HB      SER  11   9.627   6.408  11.488
   68    HB3  SER  11           2HB      SER  11  10.800   5.515  10.519
   69    HG   SER  11           HG       SER  11   9.909   6.415   8.659
   70    H    ILE  12           H        ILE  12   7.238   2.855  10.988
   71    HA   ILE  12           HA       ILE  12   6.910   3.611  13.813
   72    HB   ILE  12           HB       ILE  12   5.263   1.612  12.256
   73   HG12  ILE  12          2HG1      ILE  12   4.118   4.267  12.887
   74   HG13  ILE  12          1HG1      ILE  12   5.330   4.236  11.609
   75   HG21  ILE  12          1HG2      ILE  12   4.276   1.196  14.195
   76   HG22  ILE  12          2HG2      ILE  12   5.393   2.299  14.998
   77   HG23  ILE  12          3HG2      ILE  12   3.857   2.899  14.369
   78   HD11  ILE  12          3HD1      ILE  12   3.406   3.928  10.418
   79   HD12  ILE  12          1HD1      ILE  12   3.889   2.256  10.704
   80   HD13  ILE  12          2HD1      ILE  12   2.629   2.993  11.695
   81    H    ASP  13           H        ASP  13   7.171   0.753  11.757
   82    HA   ASP  13           HA       ASP  13   9.157  -0.545  13.297
   83    HB2  ASP  13           1HB      ASP  13   7.016  -0.738  14.733
   84    HB3  ASP  13           2HB      ASP  13   6.440  -1.844  13.492
   85    H    ASP  14           H        ASP  14   7.622  -3.181  12.522
   86    HA   ASP  14           HA       ASP  14   8.669  -3.273   9.828
   87    HB2  ASP  14           1HB      ASP  14   8.888  -5.204  11.400
   88    HB3  ASP  14           2HB      ASP  14   7.141  -5.424  11.312
   89    H    TYR  15           H        TYR  15   6.927  -1.416   9.614
   90    HA   TYR  15           HA       TYR  15   4.682  -2.657   8.187
   91    HB2  TYR  15           1HB      TYR  15   4.668  -0.430  10.158
   92    HB3  TYR  15           2HB      TYR  15   3.627  -0.251   8.746
   93    HD1  TYR  15           1HD      TYR  15   2.197  -2.406   8.189
   94    HD2  TYR  15           2HD      TYR  15   3.784  -1.479  12.019
   95    HE1  TYR  15           1HE      TYR  15   0.524  -3.873   9.226
   96    HE2  TYR  15           2HE      TYR  15   2.114  -2.944  13.073
   97    HH   TYR  15           HH       TYR  15   0.257  -4.175  12.741
   98    H    LYS  16           H        LYS  16   4.595  -2.127   6.101
   99    HA   LYS  16           HA       LYS  16   6.683  -0.329   5.140
  100    HB2  LYS  16           1HB      LYS  16   4.959  -2.327   3.654
  101    HB3  LYS  16           2HB      LYS  16   6.271  -1.391   2.947
  102    HG2  LYS  16           1HG      LYS  16   6.490  -3.521   5.064
  103    HG3  LYS  16           2HG      LYS  16   7.049  -3.608   3.394
  104    HD2  LYS  16           1HD      LYS  16   8.703  -1.901   3.810
  105    HD3  LYS  16           2HD      LYS  16   8.082  -1.647   5.442
  106    HE2  LYS  16           2HE      LYS  16   8.640  -4.397   5.197
  107    HE3  LYS  16           1HE      LYS  16  10.020  -3.541   4.517
  108    HZ1  LYS  16           3HZ      LYS  16  10.708  -3.103   6.558
  109    HZ2  LYS  16           1HZ      LYS  16   9.375  -3.921   7.213
  110    HZ3  LYS  16           2HZ      LYS  16   9.277  -2.260   6.895
  111    HA   PRO  17           HA       PRO  17   3.765   2.729   3.854
  112    HB2  PRO  17           1HB      PRO  17   5.505   3.619   1.724
  113    HB3  PRO  17           2HB      PRO  17   5.226   4.361   3.301
  114    HG2  PRO  17           1HG      PRO  17   7.592   3.205   2.553
  115    HG3  PRO  17           2HG      PRO  17   7.050   3.360   4.233
  116    HD2  PRO  17           1HD      PRO  17   6.926   0.982   2.411
  117    HD3  PRO  17           2HD      PRO  17   7.329   1.058   4.141
  118    H    TYR  18           H        TYR  18   2.072   1.668   2.948
  119    HA   TYR  18           HA       TYR  18   2.217   0.948   0.112
  120    HB2  TYR  18           1HB      TYR  18   0.207   0.390   2.293
  121    HB3  TYR  18           2HB      TYR  18  -0.172   0.121   0.597
  122    HD1  TYR  18           1HD      TYR  18   2.359  -0.805   3.185
  123    HD2  TYR  18           2HD      TYR  18   0.270  -1.956  -0.336
  124    HE1  TYR  18           1HE      TYR  18   3.335  -3.056   3.347
  125    HE2  TYR  18           2HE      TYR  18   1.244  -4.212  -0.184
  126    HH   TYR  18           HH       TYR  18   2.290  -5.601   2.179
  127    H    CYS  19           H        CYS  19   0.113   1.586  -1.106
  128    HA   CYS  19           HA       CYS  19  -0.893   4.186  -0.201
  129    HB2  CYS  19           1HB      CYS  19   0.873   3.892  -2.321
  130    HB3  CYS  19           2HB      CYS  19  -0.702   4.011  -3.097
  131    H    CYS  20           H        CYS  20  -2.857   3.412   0.390
  132    HA   CYS  20           HA       CYS  20  -4.255   1.548  -1.325
  133    HB2  CYS  20           1HB      CYS  20  -4.613   2.560   1.451
  134    HB3  CYS  20           2HB      CYS  20  -6.053   2.002   0.599
  135    H    GLN  21           H        GLN  21  -5.397   2.204  -2.950
  136    HA   GLN  21           HA       GLN  21  -6.570   4.876  -2.954
  137    HB2  GLN  21           1HB      GLN  21  -7.193   3.236  -5.268
  138    HB3  GLN  21           2HB      GLN  21  -6.375   4.789  -5.190
  139    HG2  GLN  21           1HG      GLN  21  -4.686   2.615  -4.275
  140    HG3  GLN  21           2HG      GLN  21  -5.260   2.376  -5.925
  141   HE21  GLN  21          1HE2      GLN  21  -2.789   3.576  -4.186
  142   HE22  GLN  21          2HE2      GLN  21  -2.201   4.774  -5.290
  143    H    SER  22           H        SER  22  -8.652   5.222  -2.522
  144    HA   SER  22           HA       SER  22 -10.330   3.022  -1.767
  145    HB2  SER  22           1HB      SER  22 -11.877   5.364  -1.894
  146    HB3  SER  22           2HB      SER  22 -11.117   4.675  -0.459
  147    HG   SER  22           HG       SER  22  -9.476   6.063  -0.614
  148    H    MET  23           H        MET  23 -11.402   1.852  -3.210
  149    HA   MET  23           HA       MET  23 -11.583   2.766  -5.922
  150    HB2  MET  23           1HB      MET  23 -12.389   0.209  -4.549
  151    HB3  MET  23           2HB      MET  23 -12.722   0.506  -6.249
  152    HG2  MET  23           1HG      MET  23 -10.062   0.228  -4.894
  153    HG3  MET  23           2HG      MET  23 -10.746  -0.753  -6.187
  154    HE1  MET  23           3HE      MET  23  -8.147  -0.345  -6.720
  155    HE2  MET  23           1HE      MET  23  -7.613   0.972  -7.765
  156    HE3  MET  23           2HE      MET  23  -7.689   1.208  -6.020
  157    H    SER  24           H        SER  24 -13.147   3.940  -6.693
  158    HA   SER  24           HA       SER  24 -15.647   4.196  -5.235
  159    HB2  SER  24           1HB      SER  24 -15.076   5.647  -7.791
  160    HB3  SER  24           2HB      SER  24 -15.945   6.201  -6.359
  161    HG   SER  24           HG       SER  24 -13.399   5.619  -5.717
  162    H    GLY  25           H        GLY  25 -16.043   1.898  -5.779
  163    HA2  GLY  25           1HA      GLY  25 -18.125   1.462  -7.453
  164    HA3  GLY  25           2HA      GLY  25 -16.726   1.230  -8.497
  165    H    SER  26           H        SER  26 -14.924  -0.063  -7.162
  166    HA   SER  26           HA       SER  26 -16.152  -2.583  -6.417
  167    HB2  SER  26           1HB      SER  26 -13.326  -2.652  -6.091
  168    HB3  SER  26           2HB      SER  26 -14.291  -3.399  -7.366
  169    HG   SER  26           HG       SER  26 -12.756  -1.985  -8.247
  170    H    ALA  27           H        ALA  27 -16.393  -3.276  -4.364
  171    HA   ALA  27           HA       ALA  27 -15.674  -1.472  -2.214
  172    HB1  ALA  27           1HB      ALA  27 -17.658  -3.456  -2.635
  173    HB2  ALA  27           2HB      ALA  27 -16.733  -3.910  -1.203
  174    HB3  ALA  27           3HB      ALA  27 -17.503  -2.326  -1.291
  175    H    SER  28           H        SER  28 -13.319  -2.067  -3.087
  176    HA   SER  28           HA       SER  28 -12.212  -3.892  -1.090
  177    HB2  SER  28           1HB      SER  28 -11.155  -4.032  -3.899
  178    HB3  SER  28           2HB      SER  28 -10.970  -5.195  -2.587
  179    HG   SER  28           HG       SER  28 -13.520  -5.065  -2.947
  180    H    LEU  29           H        LEU  29  -9.938  -3.520  -0.666
  181    HA   LEU  29           HA       LEU  29  -9.179  -0.754  -1.280
  182    HB2  LEU  29           1HB      LEU  29  -8.217  -2.610   0.900
  183    HB3  LEU  29           2HB      LEU  29  -7.672  -0.959   0.670
  184    HG   LEU  29           HG       LEU  29 -10.589  -1.477   1.064
  185   HD11  LEU  29          1HD1      LEU  29  -8.923  -0.971   3.464
  186   HD12  LEU  29          2HD1      LEU  29 -10.469  -1.804   3.308
  187   HD13  LEU  29          3HD1      LEU  29  -8.979  -2.617   2.834
  188   HD21  LEU  29          3HD2      LEU  29 -10.326   0.748   0.682
  189   HD22  LEU  29          1HD2      LEU  29 -10.054   0.737   2.424
  190   HD23  LEU  29          2HD2      LEU  29  -8.681   0.781   1.317
  191    H    GLY  30           H        GLY  30  -7.659  -0.448  -2.753
  192    HA2  GLY  30           1HA      GLY  30  -5.795  -2.661  -3.320
  193    HA3  GLY  30           2HA      GLY  30  -6.254  -1.417  -4.476
  194    H    CYS  31           H        CYS  31  -3.798  -2.421  -2.557
  195    HA   CYS  31           HA       CYS  31  -2.907   0.319  -1.970
  196    HB2  CYS  31           1HB      CYS  31  -3.086  -1.991  -0.307
  197    HB3  CYS  31           2HB      CYS  31  -1.385  -1.584  -0.501
  198    H    VAL  32           H        VAL  32  -1.531   0.963  -3.441
  199    HA   VAL  32           HA       VAL  32   0.306  -0.879  -4.731
  200    HB   VAL  32           HB       VAL  32   0.410   2.094  -5.110
  201   HG11  VAL  32          1HG1      VAL  32   1.873   0.195  -6.204
  202   HG12  VAL  32          2HG1      VAL  32   0.491   0.080  -7.294
  203   HG13  VAL  32          3HG1      VAL  32   1.361   1.608  -7.128
  204   HG21  VAL  32          3HG2      VAL  32  -1.818   2.082  -5.495
  205   HG22  VAL  32          1HG2      VAL  32  -1.337   1.392  -7.045
  206   HG23  VAL  32          2HG2      VAL  32  -1.876   0.336  -5.737
  207    H    VAL  33           H        VAL  33   2.375  -1.171  -4.121
  208    HA   VAL  33           HA       VAL  33   3.161  -0.114  -1.586
  209    HB   VAL  33           HB       VAL  33   5.036  -1.593  -3.404
  210   HG11  VAL  33          1HG1      VAL  33   6.207  -2.063  -1.536
  211   HG12  VAL  33          2HG1      VAL  33   5.393  -0.620  -0.928
  212   HG13  VAL  33          3HG1      VAL  33   4.763  -2.220  -0.535
  213   HG21  VAL  33          3HG2      VAL  33   3.495  -3.327  -1.663
  214   HG22  VAL  33          1HG2      VAL  33   2.484  -2.521  -2.861
  215   HG23  VAL  33          2HG2      VAL  33   3.864  -3.487  -3.382
  216    H    GLY  34           H        GLY  34   4.599   1.446  -1.077
  217    HA2  GLY  34           1HA      GLY  34   6.000   2.771  -3.315
  218    HA3  GLY  34           2HA      GLY  34   5.252   3.673  -2.000
  219    H    VAL  35           H        VAL  35   8.060   2.136  -3.097
  220    HA   VAL  35           HA       VAL  35   9.223   1.902  -0.438
  221    HB   VAL  35           HB       VAL  35  11.224   1.465  -2.382
  222   HG11  VAL  35          1HG1      VAL  35  11.508  -0.487  -1.250
  223   HG12  VAL  35          2HG1      VAL  35  10.495   0.363  -0.082
  224   HG13  VAL  35          3HG1      VAL  35   9.777  -0.822  -1.171
  225   HG21  VAL  35          3HG2      VAL  35   8.995  -0.376  -3.062
  226   HG22  VAL  35          1HG2      VAL  35   9.000   1.222  -3.806
  227   HG23  VAL  35          2HG2      VAL  35  10.373   0.140  -4.035
  228    H    ILE  36           H        ILE  36  11.805   2.606  -0.765
  229    HA   ILE  36           HA       ILE  36  11.687   5.376  -0.346
  230    HB   ILE  36           HB       ILE  36  14.114   3.658  -0.882
  231   HG12  ILE  36          2HG1      ILE  36  12.815   4.545   1.705
  232   HG13  ILE  36          1HG1      ILE  36  12.803   2.910   1.052
  233   HG21  ILE  36          1HG2      ILE  36  15.324   5.515  -0.819
  234   HG22  ILE  36          2HG2      ILE  36  13.859   6.481  -0.640
  235   HG23  ILE  36          3HG2      ILE  36  14.694   5.871   0.790
  236   HD11  ILE  36          3HD1      ILE  36  15.449   4.148   1.480
  237   HD12  ILE  36          1HD1      ILE  36  14.518   3.730   2.917
  238   HD13  ILE  36          2HD1      ILE  36  14.914   2.486   1.730
  239    H    GLY  37           H        GLY  37  11.320   6.860  -1.829
  240    HA2  GLY  37           1HA      GLY  37  11.964   8.237  -3.610
  241    HA3  GLY  37           2HA      GLY  37  13.010   6.952  -4.198
  242    H    SER  38           H        SER  38   9.694   6.316  -3.358
  243    HA   SER  38           HA       SER  38   9.124   5.968  -6.226
  244    HB2  SER  38           1HB      SER  38   8.022   4.431  -3.862
  245    HB3  SER  38           2HB      SER  38   7.550   4.185  -5.545
  246    HG   SER  38           HG       SER  38   9.143   2.803  -5.517
  247    H    GLN  39           H        GLN  39   6.899   6.237  -6.886
  248    HA   GLN  39           HA       GLN  39   5.440   8.178  -5.218
  249    HB2  GLN  39           1HB      GLN  39   6.112   8.159  -8.090
  250    HB3  GLN  39           2HB      GLN  39   4.437   8.557  -7.729
  251    HG2  GLN  39           1HG      GLN  39   4.963  10.541  -6.800
  252    HG3  GLN  39           2HG      GLN  39   6.470   9.941  -6.111
  253   HE21  GLN  39          1HE2      GLN  39   6.924  12.245  -7.003
  254   HE22  GLN  39          2HE2      GLN  39   7.597  12.290  -8.599
  255    H    CYS  40           H        CYS  40   3.874   7.047  -4.249
  256    HA   CYS  40           HA       CYS  40   2.979   4.573  -5.368
  257    HB2  CYS  40           1HB      CYS  40   1.675   4.347  -3.313
  258    HB3  CYS  40           2HB      CYS  40   3.344   4.787  -2.973
  259    H    GLY  41           H        GLY  41   1.371   7.694  -4.702
  260    HA2  GLY  41           1HA      GLY  41   0.099   8.271  -6.871
  261    HA3  GLY  41           2HA      GLY  41  -0.778   6.796  -6.510
  262    H    ALA  42           H        ALA  42  -1.242   7.005  -3.812
  263    HA   ALA  42           HA       ALA  42  -2.878   9.446  -3.671
  264    HB1  ALA  42           1HB      ALA  42  -4.160   7.429  -4.496
  265    HB2  ALA  42           2HB      ALA  42  -3.929   6.738  -2.890
  266    HB3  ALA  42           3HB      ALA  42  -4.828   8.244  -3.082
  267    H    SER  43           H        SER  43  -3.950   7.564  -1.268
  268    HA   SER  43           HA       SER  43  -2.515   9.055   0.719
  269    HB2  SER  43           1HB      SER  43  -4.243   6.926   1.712
  270    HB3  SER  43           2HB      SER  43  -4.355   8.670   1.955
  271    HG   SER  43           HG       SER  43  -5.606   8.871   0.218
  272    H    VAL  44           H        VAL  44  -0.788   8.427   1.817
  273    HA   VAL  44           HA       VAL  44   0.362   5.824   1.372
  274    HB   VAL  44           HB       VAL  44   1.273   7.980   3.291
  275   HG11  VAL  44          1HG1      VAL  44   2.138   5.633   3.624
  276   HG12  VAL  44          2HG1      VAL  44   2.903   5.776   2.042
  277   HG13  VAL  44          3HG1      VAL  44   3.368   6.866   3.351
  278   HG21  VAL  44          3HG2      VAL  44   2.932   8.489   1.463
  279   HG22  VAL  44          1HG2      VAL  44   1.938   7.500   0.393
  280   HG23  VAL  44          2HG2      VAL  44   1.265   8.957   1.127
  281    H    LYS  45           H        LYS  45   0.032   4.086   2.557
  282    HA   LYS  45           HA       LYS  45  -1.199   4.392   5.212
  283    HB2  LYS  45           1HB      LYS  45  -2.297   3.190   2.857
  284    HB3  LYS  45           2HB      LYS  45  -2.030   1.934   4.058
  285    HG2  LYS  45           1HG      LYS  45  -4.068   2.545   4.761
  286    HG3  LYS  45           2HG      LYS  45  -3.173   3.813   5.600
  287    HD2  LYS  45           1HD      LYS  45  -3.557   5.308   3.666
  288    HD3  LYS  45           2HD      LYS  45  -4.537   4.043   2.918
  289    HE2  LYS  45           2HE      LYS  45  -6.002   5.606   4.002
  290    HE3  LYS  45           1HE      LYS  45  -6.021   4.096   4.912
  291    HZ1  LYS  45           3HZ      LYS  45  -5.873   5.858   6.463
  292    HZ2  LYS  45           1HZ      LYS  45  -4.607   6.609   5.616
  293    HZ3  LYS  45           2HZ      LYS  45  -4.337   5.137   6.416
  294    H    CYS  46           H        CYS  46  -0.220   3.296   6.796
  295    HA   CYS  46           HA       CYS  46   2.083   1.669   6.121
  296    HB2  CYS  46           1HB      CYS  46   1.055   2.396   8.865
  297    HB3  CYS  46           2HB      CYS  46   2.668   1.821   8.445
  298    H    CYS  47           H        CYS  47   1.485  -0.296   5.445
  299    HA   CYS  47           HA       CYS  47   0.004  -1.971   7.339
  300    HB2  CYS  47           1HB      CYS  47  -0.627  -2.601   4.560
  301    HB3  CYS  47           2HB      CYS  47  -1.702  -2.418   5.940
  302    H    LYS  48           H        LYS  48   0.021  -4.338   6.224
  303    HA   LYS  48           HA       LYS  48   2.624  -4.816   4.974
  304    HB2  LYS  48           1HB      LYS  48   2.761  -5.165   7.492
  305    HB3  LYS  48           2HB      LYS  48   1.630  -6.494   7.277
  306    HG2  LYS  48           1HG      LYS  48   3.180  -7.854   6.377
  307    HG3  LYS  48           2HG      LYS  48   4.023  -6.538   5.557
  308    HD2  LYS  48           1HD      LYS  48   5.477  -7.390   7.256
  309    HD3  LYS  48           2HD      LYS  48   4.892  -5.810   7.786
  310    HE2  LYS  48           2HE      LYS  48   3.208  -6.907   9.185
  311    HE3  LYS  48           1HE      LYS  48   3.796  -8.482   8.655
  312    HZ1  LYS  48           3HZ      LYS  48   6.039  -7.243   9.573
  313    HZ2  LYS  48           1HZ      LYS  48   5.116  -8.380  10.429
  314    HZ3  LYS  48           2HZ      LYS  48   4.848  -6.723  10.663
  315    H    ASP  49           H        ASP  49  -0.307  -6.351   6.199
  316    HA   ASP  49           HA       ASP  49  -1.785  -7.807   5.341
  317    HB2  ASP  49           1HB      ASP  49  -1.636  -6.025   3.424
  318    HB3  ASP  49           2HB      ASP  49  -0.813  -7.313   2.548
  319    H    ASP  50           H        ASP  50  -1.491  -9.433   2.958
  320    HA   ASP  50           HA       ASP  50   0.599 -11.252   3.960
  321    HB2  ASP  50           1HB      ASP  50  -1.764 -12.043   4.213
  322    HB3  ASP  50           2HB      ASP  50  -1.918 -12.007   2.460
  323    H    VAL  51           H        VAL  51   2.266 -10.615   2.674
  324    HA   VAL  51           HA       VAL  51   1.923 -10.402  -0.195
  325    HB   VAL  51           HB       VAL  51   4.608 -10.446   1.146
  326   HG11  VAL  51          1HG1      VAL  51   3.424  -9.349  -1.356
  327   HG12  VAL  51          2HG1      VAL  51   4.798  -8.511  -0.633
  328   HG13  VAL  51          3HG1      VAL  51   4.946 -10.204  -1.106
  329   HG21  VAL  51          3HG2      VAL  51   4.187  -8.663   2.402
  330   HG22  VAL  51          1HG2      VAL  51   3.690  -7.762   0.969
  331   HG23  VAL  51          2HG2      VAL  51   2.501  -8.690   1.886
  332    H    THR  52           H        THR  52   1.101 -12.706  -0.176
  333    HA   THR  52           HA       THR  52   3.057 -14.798   0.091
  334    HB   THR  52           HB       THR  52   0.887 -15.764  -1.408
  335    HG1  THR  52           1HG      THR  52  -0.312 -14.450   0.746
  336   HG21  THR  52          3HG2      THR  52   1.448 -17.247   0.195
  337   HG22  THR  52          1HG2      THR  52   0.231 -16.400   1.148
  338   HG23  THR  52          2HG2      THR  52   1.937 -15.991   1.333
  339    H    ASN  53           H        ASN  53   0.963 -14.496  -2.706
  340    HA   ASN  53           HA       ASN  53   3.315 -14.180  -4.445
  341    HB2  ASN  53           1HB      ASN  53   2.148 -16.571  -4.259
  342    HB3  ASN  53           2HB      ASN  53   1.029 -15.841  -5.405
  343   HD21  ASN  53          1HD2      ASN  53   2.144 -17.859  -6.464
  344   HD22  ASN  53          2HD2      ASN  53   3.468 -17.457  -7.508
  345    H    THR  54           H        THR  54   0.776 -12.703  -3.332
  346    HA   THR  54           HA       THR  54  -0.502 -11.837  -5.778
  347    HB   THR  54           HB       THR  54  -1.208 -10.223  -3.517
  348    HG1  THR  54           1HG      THR  54  -1.723 -11.781  -2.014
  349   HG21  THR  54          3HG2      THR  54  -3.418 -11.244  -3.880
  350   HG22  THR  54          1HG2      THR  54  -2.686 -12.440  -4.948
  351   HG23  THR  54          2HG2      THR  54  -2.683 -10.735  -5.400
  352    H    GLY  55           H        GLY  55   0.186 -10.172  -6.953
  353    HA2  GLY  55           1HA      GLY  55   0.725  -7.637  -6.203
  354    HA3  GLY  55           2HA      GLY  55   2.270  -8.435  -5.954
  355    H    ASN  56           H        ASN  56  -0.252  -8.604  -8.469
  356    HA   ASN  56           HA       ASN  56   1.777  -8.727 -10.519
  357    HB2  ASN  56           1HB      ASN  56  -0.588  -9.846 -10.491
  358    HB3  ASN  56           2HB      ASN  56  -1.133  -8.284 -11.093
  359   HD21  ASN  56          1HD2      ASN  56  -1.775  -9.354 -13.010
  360   HD22  ASN  56          2HD2      ASN  56  -0.613  -9.769 -14.229
  361    H    SER  57           H        SER  57  -1.039  -6.577 -10.161
  362    HA   SER  57           HA       SER  57   0.479  -4.391 -11.339
  363    HB2  SER  57           1HB      SER  57  -1.998  -3.398 -10.572
  364    HB3  SER  57           2HB      SER  57  -1.587  -4.016 -12.173
  365    HG   SER  57           HG       SER  57  -3.483  -4.954 -10.944
  366    H    PHE  58           H        PHE  58  -1.404  -5.036  -8.407
  367    HA   PHE  58           HA       PHE  58   0.580  -3.809  -6.746
  368    HB2  PHE  58           1HB      PHE  58  -1.055  -2.222  -5.667
  369    HB3  PHE  58           2HB      PHE  58  -0.548  -1.771  -7.288
  370    HD1  PHE  58           2HD      PHE  58  -3.332  -2.978  -5.235
  371    HD2  PHE  58           1HD      PHE  58  -2.103  -1.754  -9.120
  372    HE1  PHE  58           2HE      PHE  58  -5.686  -2.781  -5.910
  373    HE2  PHE  58           1HE      PHE  58  -4.459  -1.552  -9.803
  374    HZ   PHE  58           HZ       PHE  58  -6.256  -2.068  -8.196
  375    H    LEU  59           H        LEU  59  -0.546  -3.730  -4.360
  376    HA   LEU  59           HA       LEU  59  -1.523  -6.473  -4.063
  377    HB2  LEU  59           1HB      LEU  59   0.398  -4.908  -2.679
  378    HB3  LEU  59           2HB      LEU  59  -0.897  -5.272  -1.555
  379    HG   LEU  59           HG       LEU  59   0.656  -7.320  -3.140
  380   HD11  LEU  59          1HD1      LEU  59   0.993  -7.659  -0.373
  381   HD12  LEU  59          2HD1      LEU  59   2.201  -7.168  -1.561
  382   HD13  LEU  59          3HD1      LEU  59   1.261  -5.947  -0.704
  383   HD21  LEU  59          3HD2      LEU  59  -1.154  -8.577  -2.735
  384   HD22  LEU  59          1HD2      LEU  59  -0.565  -8.621  -1.074
  385   HD23  LEU  59          2HD2      LEU  59  -1.793  -7.444  -1.543
  386    H    ILE  60           H        ILE  60  -3.663  -6.641  -3.929
  387    HA   ILE  60           HA       ILE  60  -5.284  -4.555  -2.783
  388    HB   ILE  60           HB       ILE  60  -5.936  -7.322  -3.806
  389   HG12  ILE  60          2HG1      ILE  60  -7.276  -4.964  -4.929
  390   HG13  ILE  60          1HG1      ILE  60  -5.525  -4.942  -5.123
  391   HG21  ILE  60          1HG2      ILE  60  -7.443  -6.873  -1.951
  392   HG22  ILE  60          2HG2      ILE  60  -7.848  -5.300  -2.637
  393   HG23  ILE  60          3HG2      ILE  60  -8.314  -6.777  -3.482
  394   HD11  ILE  60          3HD1      ILE  60  -5.747  -7.271  -6.083
  395   HD12  ILE  60          1HD1      ILE  60  -7.484  -6.972  -6.141
  396   HD13  ILE  60          2HD1      ILE  60  -6.382  -5.948  -7.062
  397    H    ILE  61           H        ILE  61  -5.573  -4.304  -0.678
  398    HA   ILE  61           HA       ILE  61  -4.388  -6.212   1.131
  399    HB   ILE  61           HB       ILE  61  -5.387  -3.408   1.340
  400   HG12  ILE  61          2HG1      ILE  61  -2.851  -4.819   2.184
  401   HG13  ILE  61          1HG1      ILE  61  -3.070  -3.867   0.716
  402   HG21  ILE  61          1HG2      ILE  61  -6.395  -4.533   3.282
  403   HG22  ILE  61          2HG2      ILE  61  -4.798  -5.111   3.757
  404   HG23  ILE  61          3HG2      ILE  61  -5.145  -3.381   3.751
  405   HD11  ILE  61          3HD1      ILE  61  -1.888  -2.577   2.359
  406   HD12  ILE  61          1HD1      ILE  61  -3.493  -1.886   2.111
  407   HD13  ILE  61          2HD1      ILE  61  -3.162  -2.857   3.547
  408    H    ASN  62           H        ASN  62  -5.378  -7.288   2.801
  409    HA   ASN  62           HA       ASN  62  -8.107  -8.090   2.291
  410    HB2  ASN  62           1HB      ASN  62  -5.895  -9.356   3.274
  411    HB3  ASN  62           2HB      ASN  62  -6.793  -9.030   4.753
  412   HD21  ASN  62          1HD2      ASN  62  -8.989  -9.799   4.866
  413   HD22  ASN  62          2HD2      ASN  62  -9.428 -11.246   4.016
  414    H    ALA  63           H        ALA  63  -7.780  -5.372   3.107
  415    HA   ALA  63           HA       ALA  63  -8.783  -3.795   4.370
  416    HB1  ALA  63           1HB      ALA  63 -10.749  -4.364   5.681
  417    HB2  ALA  63           2HB      ALA  63 -10.790  -5.156   4.105
  418    HB3  ALA  63           3HB      ALA  63 -10.359  -6.079   5.545
  419    H    ALA  64           H        ALA  64  -8.847  -6.400   6.794
  420    HA   ALA  64           HA       ALA  64  -7.853  -4.536   8.758
  421    HB1  ALA  64           1HB      ALA  64  -9.603  -6.597   8.892
  422    HB2  ALA  64           2HB      ALA  64  -8.147  -7.348   9.546
  423    HB3  ALA  64           3HB      ALA  64  -8.794  -5.882  10.287
  424    H    ASN  65           H        ASN  65  -5.829  -4.655   7.119
  425    HA   ASN  65           HA       ASN  65  -3.820  -6.040   8.730
  426    HB2  ASN  65           1HB      ASN  65  -4.559  -6.976   6.192
  427    HB3  ASN  65           2HB      ASN  65  -3.033  -6.126   5.955
  428   HD21  ASN  65          1HD2      ASN  65  -3.650  -8.962   5.817
  429   HD22  ASN  65          2HD2      ASN  65  -2.614  -9.734   6.961
  430    H    CYS  66           H        CYS  66  -4.905  -3.303   8.018
  431    HA   CYS  66           HA       CYS  66  -2.282  -2.027   7.711
  432    HB2  CYS  66           1HB      CYS  66  -3.785  -1.837   5.651
  433    HB3  CYS  66           2HB      CYS  66  -4.840  -0.834   6.641
  434    H    VAL  67           H        VAL  67  -1.843  -0.477   9.218
  435    HA   VAL  67           HA       VAL  67  -3.980  -0.035  11.206
  436    HB   VAL  67           HB       VAL  67  -2.156   0.210  12.893
  437   HG11  VAL  67          1HG1      VAL  67  -1.621  -2.496  12.018
  438   HG12  VAL  67          2HG1      VAL  67  -2.514  -1.918  13.425
  439   HG13  VAL  67          3HG1      VAL  67  -3.331  -2.084  11.871
  440   HG21  VAL  67          3HG2      VAL  67  -0.300  -1.191  11.024
  441   HG22  VAL  67          1HG2      VAL  67  -0.433   0.566  10.954
  442   HG23  VAL  67          2HG2      VAL  67   0.057  -0.220  12.454
  443    H    ALA  68           H        ALA  68  -2.997   1.606   8.822
  444    HA   ALA  68           HA       ALA  68  -3.040   4.143  10.234
  445    HB1  ALA  68           1HB      ALA  68  -0.596   3.062   9.255
  446    HB2  ALA  68           2HB      ALA  68  -1.025   4.451   8.255
  447    HB3  ALA  68           3HB      ALA  68  -0.885   4.631  10.004
  Start of MODEL    4
    1    H1   SER   1           1H       SER   1  -1.469  14.693  -4.040
    2    H2   SER   1           2H       SER   1  -2.686  15.429  -4.963
    3    H3   SER   1           3H       SER   1  -1.055  15.773  -5.280
    4    HA   SER   1           HA       SER   1  -2.513  13.256  -5.751
    5    HB2  SER   1           1HB      SER   1  -0.860  14.311  -7.898
    6    HB3  SER   1           2HB      SER   1  -2.578  13.908  -7.903
    7    HG   SER   1           HG       SER   1  -1.611  16.282  -8.069
    8    H    ALA   2           H        ALA   2   0.648  14.497  -6.799
    9    HA   ALA   2           HA       ALA   2   1.810  11.890  -6.371
   10    HB1  ALA   2           1HB      ALA   2   3.834  12.878  -7.356
   11    HB2  ALA   2           2HB      ALA   2   2.410  13.147  -8.362
   12    HB3  ALA   2           3HB      ALA   2   3.048  14.457  -7.368
   13    H    THR   3           H        THR   3   2.176  11.381  -4.316
   14    HA   THR   3           HA       THR   3   3.132  13.303  -2.401
   15    HB   THR   3           HB       THR   3   3.428  10.552  -1.561
   16    HG1  THR   3           1HG      THR   3   0.744  11.130  -2.148
   17   HG21  THR   3          3HG2      THR   3   2.518  11.371   0.332
   18   HG22  THR   3          1HG2      THR   3   1.189  12.147  -0.530
   19   HG23  THR   3          2HG2      THR   3   2.761  12.941  -0.435
   20    H    THR   4           H        THR   4   4.487  10.754  -4.386
   21    HA   THR   4           HA       THR   4   6.565   9.822  -4.572
   22    HB   THR   4           HB       THR   4   7.725  12.525  -4.009
   23    HG1  THR   4           1HG      THR   4   7.131  12.894  -6.352
   24   HG21  THR   4          3HG2      THR   4   8.607  10.109  -5.206
   25   HG22  THR   4          1HG2      THR   4   9.492  11.622  -5.017
   26   HG23  THR   4          2HG2      THR   4   8.533  11.338  -6.470
   27    H    ILE   5           H        ILE   5   6.301   8.658  -2.544
   28    HA   ILE   5           HA       ILE   5   7.072   9.797  -0.063
   29    HB   ILE   5           HB       ILE   5   6.615   7.732   0.925
   30   HG12  ILE   5          2HG1      ILE   5   6.678   6.216  -1.662
   31   HG13  ILE   5          1HG1      ILE   5   8.178   6.523  -0.791
   32   HG21  ILE   5          1HG2      ILE   5   4.474   7.908   0.407
   33   HG22  ILE   5          2HG2      ILE   5   4.884   8.689  -1.119
   34   HG23  ILE   5          3HG2      ILE   5   4.751   6.931  -1.035
   35   HD11  ILE   5          3HD1      ILE   5   6.000   4.666  -0.203
   36   HD12  ILE   5          1HD1      ILE   5   7.708   4.595   0.232
   37   HD13  ILE   5          2HD1      ILE   5   6.592   5.567   1.192
   38    H    GLY   6           H        GLY   6   8.866   9.342   1.232
   39    HA2  GLY   6           1HA      GLY   6  11.287   8.801  -0.327
   40    HA3  GLY   6           2HA      GLY   6  11.221   9.582   1.246
   41    HA   PRO   7           HA       PRO   7  12.621   5.416   2.274
   42    HB2  PRO   7           1HB      PRO   7  13.795   6.533   4.651
   43    HB3  PRO   7           2HB      PRO   7  14.611   5.941   3.207
   44    HG2  PRO   7           1HG      PRO   7  14.552   8.577   3.977
   45    HG3  PRO   7           2HG      PRO   7  14.805   8.028   2.310
   46    HD2  PRO   7           1HD      PRO   7  12.314   9.055   3.616
   47    HD3  PRO   7           2HD      PRO   7  12.935   9.349   1.977
   48    H    ASN   8           H        ASN   8  10.198   5.222   2.674
   49    HA   ASN   8           HA       ASN   8   8.647   4.191   3.955
   50    HB2  ASN   8           1HB      ASN   8  10.374   2.946   5.106
   51    HB3  ASN   8           2HB      ASN   8  10.735   4.329   6.137
   52   HD21  ASN   8          1HD2      ASN   8  10.284   3.316   8.048
   53   HD22  ASN   8          2HD2      ASN   8   8.684   2.834   8.510
   54    H    THR   9           H        THR   9   6.980   5.430   4.176
   55    HA   THR   9           HA       THR   9   7.087   7.989   5.460
   56    HB   THR   9           HB       THR   9   4.561   6.642   4.583
   57    HG1  THR   9           1HG      THR   9   6.420   7.868   2.807
   58   HG21  THR   9          3HG2      THR   9   3.969   8.893   3.847
   59   HG22  THR   9          1HG2      THR   9   5.571   9.475   4.299
   60   HG23  THR   9          2HG2      THR   9   4.455   8.910   5.543
   61    H    CYS  10           H        CYS  10   6.462   4.810   6.518
   62    HA   CYS  10           HA       CYS  10   5.052   5.825   8.902
   63    HB2  CYS  10           1HB      CYS  10   4.879   3.119   7.566
   64    HB3  CYS  10           2HB      CYS  10   4.191   3.473   9.146
   65    H    SER  11           H        SER  11   7.184   6.308   9.771
   66    HA   SER  11           HA       SER  11   9.042   4.181  10.253
   67    HB2  SER  11           1HB      SER  11   9.222   6.698  11.813
   68    HB3  SER  11           2HB      SER  11  10.472   5.824  10.926
   69    HG   SER  11           HG       SER  11   9.975   6.866   9.140
   70    H    ILE  12           H        ILE  12   7.016   3.007  11.275
   71    HA   ILE  12           HA       ILE  12   7.059   3.486  14.181
   72    HB   ILE  12           HB       ILE  12   5.152   1.552  12.934
   73   HG12  ILE  12          2HG1      ILE  12   5.158   3.836  11.681
   74   HG13  ILE  12          1HG1      ILE  12   3.624   3.151  12.203
   75   HG21  ILE  12          1HG2      ILE  12   5.144   3.329  15.354
   76   HG22  ILE  12          2HG2      ILE  12   3.696   2.498  14.784
   77   HG23  ILE  12          3HG2      ILE  12   5.110   1.567  15.280
   78   HD11  ILE  12          3HD1      ILE  12   5.128   5.193  13.808
   79   HD12  ILE  12          1HD1      ILE  12   3.925   5.612  12.589
   80   HD13  ILE  12          2HD1      ILE  12   3.454   4.668  14.004
   81    H    ASP  13           H        ASP  13   6.112   0.462  12.766
   82    HA   ASP  13           HA       ASP  13   8.656  -0.772  13.583
   83    HB2  ASP  13           1HB      ASP  13   6.539  -1.179  15.083
   84    HB3  ASP  13           2HB      ASP  13   6.051  -2.262  13.785
   85    H    ASP  14           H        ASP  14   7.162  -3.341  12.664
   86    HA   ASP  14           HA       ASP  14   8.032  -3.237   9.925
   87    HB2  ASP  14           1HB      ASP  14   8.307  -5.246  11.337
   88    HB3  ASP  14           2HB      ASP  14   6.557  -5.413  11.425
   89    H    TYR  15           H        TYR  15   6.254  -1.323  10.008
   90    HA   TYR  15           HA       TYR  15   3.804  -2.439   8.806
   91    HB2  TYR  15           1HB      TYR  15   4.281  -0.126  10.591
   92    HB3  TYR  15           2HB      TYR  15   3.160   0.158   9.265
   93    HD1  TYR  15           2HD      TYR  15   1.400  -1.890   8.961
   94    HD2  TYR  15           1HD      TYR  15   3.352  -0.802  12.581
   95    HE1  TYR  15           2HE      TYR  15  -0.399  -2.962  10.246
   96    HE2  TYR  15           1HE      TYR  15   1.560  -1.875  13.875
   97    HH   TYR  15           HH       TYR  15  -0.463  -4.047  12.774
   98    H    LYS  16           H        LYS  16   4.562  -2.635   6.740
   99    HA   LYS  16           HA       LYS  16   6.306  -0.766   5.520
  100    HB2  LYS  16           1HB      LYS  16   4.774  -3.163   4.609
  101    HB3  LYS  16           2HB      LYS  16   5.475  -2.099   3.397
  102    HG2  LYS  16           1HG      LYS  16   7.082  -3.747   3.717
  103    HG3  LYS  16           2HG      LYS  16   7.669  -2.386   4.676
  104    HD2  LYS  16           1HD      LYS  16   7.891  -3.938   6.294
  105    HD3  LYS  16           2HD      LYS  16   6.158  -3.689   6.513
  106    HE2  LYS  16           2HE      LYS  16   5.690  -5.766   5.834
  107    HE3  LYS  16           1HE      LYS  16   6.711  -5.600   4.406
  108    HZ1  LYS  16           3HZ      LYS  16   7.820  -6.124   7.107
  109    HZ2  LYS  16           1HZ      LYS  16   8.597  -6.280   5.604
  110    HZ3  LYS  16           2HZ      LYS  16   7.375  -7.376   6.043
  111    HA   PRO  17           HA       PRO  17   3.299   2.142   4.046
  112    HB2  PRO  17           1HB      PRO  17   4.915   3.610   2.472
  113    HB3  PRO  17           2HB      PRO  17   5.017   3.670   4.237
  114    HG2  PRO  17           1HG      PRO  17   6.753   2.235   2.280
  115    HG3  PRO  17           2HG      PRO  17   7.205   3.077   3.773
  116    HD2  PRO  17           1HD      PRO  17   6.918   0.339   3.523
  117    HD3  PRO  17           2HD      PRO  17   6.814   1.230   5.053
  118    H    TYR  18           H        TYR  18   1.803   1.618   2.622
  119    HA   TYR  18           HA       TYR  18   2.637   0.854  -0.099
  120    HB2  TYR  18           1HB      TYR  18   0.306  -0.199   1.520
  121    HB3  TYR  18           2HB      TYR  18   0.528  -0.506  -0.200
  122    HD1  TYR  18           2HD      TYR  18   2.669  -1.713  -0.915
  123    HD2  TYR  18           1HD      TYR  18   1.310  -1.572   3.107
  124    HE1  TYR  18           2HE      TYR  18   4.072  -3.661  -0.380
  125    HE2  TYR  18           1HE      TYR  18   2.703  -3.518   3.658
  126    HH   TYR  18           HH       TYR  18   3.718  -5.477   2.379
  127    H    CYS  19           H        CYS  19   1.292   1.562  -1.794
  128    HA   CYS  19           HA       CYS  19  -0.054   4.071  -1.234
  129    HB2  CYS  19           1HB      CYS  19   1.446   3.185  -3.359
  130    HB3  CYS  19           2HB      CYS  19  -0.194   3.030  -3.978
  131    H    CYS  20           H        CYS  20  -1.846   3.333  -0.068
  132    HA   CYS  20           HA       CYS  20  -3.692   1.486  -1.343
  133    HB2  CYS  20           1HB      CYS  20  -3.714   2.893   1.327
  134    HB3  CYS  20           2HB      CYS  20  -5.048   1.898   0.759
  135    H    GLN  21           H        GLN  21  -5.718   1.997  -2.081
  136    HA   GLN  21           HA       GLN  21  -6.497   4.826  -2.016
  137    HB2  GLN  21           1HB      GLN  21  -7.470   4.411  -4.353
  138    HB3  GLN  21           2HB      GLN  21  -5.732   4.629  -4.225
  139    HG2  GLN  21           1HG      GLN  21  -6.263   1.866  -3.957
  140    HG3  GLN  21           2HG      GLN  21  -7.182   2.455  -5.341
  141   HE21  GLN  21          1HE2      GLN  21  -4.092   1.673  -4.110
  142   HE22  GLN  21          2HE2      GLN  21  -3.184   2.055  -5.531
  143    H    SER  22           H        SER  22  -8.607   5.190  -1.562
  144    HA   SER  22           HA       SER  22 -10.231   2.923  -0.815
  145    HB2  SER  22           1HB      SER  22 -11.496   5.582  -0.853
  146    HB3  SER  22           2HB      SER  22 -11.378   4.410   0.458
  147    HG   SER  22           HG       SER  22  -9.005   5.151   0.389
  148    H    MET  23           H        MET  23 -10.524   1.909  -2.818
  149    HA   MET  23           HA       MET  23 -11.537   3.364  -5.081
  150    HB2  MET  23           1HB      MET  23 -10.650   0.585  -4.536
  151    HB3  MET  23           2HB      MET  23 -11.800   0.805  -5.848
  152    HG2  MET  23           1HG      MET  23  -9.810   2.779  -6.147
  153    HG3  MET  23           2HG      MET  23  -8.992   1.249  -5.831
  154    HE1  MET  23           3HE      MET  23  -8.489   0.309  -9.304
  155    HE2  MET  23           1HE      MET  23  -8.065   1.915  -8.708
  156    HE3  MET  23           2HE      MET  23  -7.920   0.513  -7.648
  157    H    SER  24           H        SER  24 -13.578   3.884  -5.366
  158    HA   SER  24           HA       SER  24 -15.741   2.762  -3.930
  159    HB2  SER  24           1HB      SER  24 -16.574   4.037  -6.379
  160    HB3  SER  24           2HB      SER  24 -16.753   4.604  -4.716
  161    HG   SER  24           HG       SER  24 -15.433   6.102  -5.508
  162    H    GLY  25           H        GLY  25 -16.916   1.002  -4.332
  163    HA2  GLY  25           1HA      GLY  25 -17.898  -0.092  -6.561
  164    HA3  GLY  25           2HA      GLY  25 -16.225  -0.634  -6.638
  165    H    SER  26           H        SER  26 -15.410  -1.678  -4.576
  166    HA   SER  26           HA       SER  26 -17.563  -3.235  -3.305
  167    HB2  SER  26           1HB      SER  26 -15.088  -4.523  -2.873
  168    HB3  SER  26           2HB      SER  26 -16.403  -5.050  -3.926
  169    HG   SER  26           HG       SER  26 -15.085  -4.687  -5.512
  170    H    ALA  27           H        ALA  27 -15.566  -0.723  -2.793
  171    HA   ALA  27           HA       ALA  27 -14.609   0.337  -1.034
  172    HB1  ALA  27           1HB      ALA  27 -16.088   0.653   0.612
  173    HB2  ALA  27           2HB      ALA  27 -17.095  -0.553  -0.189
  174    HB3  ALA  27           3HB      ALA  27 -16.005  -1.037   1.110
  175    H    SER  28           H        SER  28 -13.202  -1.844  -1.988
  176    HA   SER  28           HA       SER  28 -12.324  -3.464   0.230
  177    HB2  SER  28           1HB      SER  28 -10.566  -3.860  -1.891
  178    HB3  SER  28           2HB      SER  28 -12.005  -4.818  -1.541
  179    HG   SER  28           HG       SER  28 -12.554  -4.147  -3.477
  180    H    LEU  29           H        LEU  29 -10.030  -2.228  -2.049
  181    HA   LEU  29           HA       LEU  29  -8.966  -0.045  -0.711
  182    HB2  LEU  29           1HB      LEU  29  -8.193  -2.595   0.457
  183    HB3  LEU  29           2HB      LEU  29  -6.799  -1.716  -0.137
  184    HG   LEU  29           HG       LEU  29  -8.786  -0.768   1.924
  185   HD11  LEU  29          1HD1      LEU  29  -6.546  -2.361   2.184
  186   HD12  LEU  29          2HD1      LEU  29  -5.951  -0.745   2.565
  187   HD13  LEU  29          3HD1      LEU  29  -7.309  -1.419   3.467
  188   HD21  LEU  29          3HD2      LEU  29  -7.275   1.212   2.100
  189   HD22  LEU  29          1HD2      LEU  29  -6.499   0.683   0.606
  190   HD23  LEU  29          2HD2      LEU  29  -8.203   1.138   0.601
  191    H    GLY  30           H        GLY  30  -6.514  -2.301  -1.444
  192    HA2  GLY  30           1HA      GLY  30  -5.514  -2.732  -3.588
  193    HA3  GLY  30           2HA      GLY  30  -6.327  -1.297  -4.203
  194    H    CYS  31           H        CYS  31  -3.423  -2.503  -3.113
  195    HA   CYS  31           HA       CYS  31  -2.332   0.176  -2.735
  196    HB2  CYS  31           1HB      CYS  31  -1.597  -1.949  -0.744
  197    HB3  CYS  31           2HB      CYS  31  -1.384  -0.210  -0.628
  198    H    VAL  32           H        VAL  32  -0.595   0.329  -3.982
  199    HA   VAL  32           HA       VAL  32   0.904  -2.081  -4.670
  200    HB   VAL  32           HB       VAL  32   2.063   0.308  -5.787
  201   HG11  VAL  32          1HG1      VAL  32   2.461  -1.743  -6.839
  202   HG12  VAL  32          2HG1      VAL  32   0.749  -2.172  -6.851
  203   HG13  VAL  32          3HG1      VAL  32   1.350  -0.904  -7.921
  204   HG21  VAL  32          3HG2      VAL  32  -0.712  -0.045  -6.814
  205   HG22  VAL  32          1HG2      VAL  32  -0.464   0.941  -5.371
  206   HG23  VAL  32          2HG2      VAL  32   0.345   1.366  -6.881
  207    H    VAL  33           H        VAL  33   3.349  -1.836  -4.672
  208    HA   VAL  33           HA       VAL  33   4.096  -1.433  -1.962
  209    HB   VAL  33           HB       VAL  33   6.447  -1.632  -3.530
  210   HG11  VAL  33          1HG1      VAL  33   5.044  -3.916  -2.178
  211   HG12  VAL  33          2HG1      VAL  33   6.775  -3.625  -2.345
  212   HG13  VAL  33          3HG1      VAL  33   5.812  -2.614  -1.267
  213   HG21  VAL  33          3HG2      VAL  33   4.768  -2.284  -5.342
  214   HG22  VAL  33          1HG2      VAL  33   6.091  -3.406  -5.029
  215   HG23  VAL  33          2HG2      VAL  33   4.481  -3.739  -4.388
  216    H    GLY  34           H        GLY  34   4.605   0.422  -1.019
  217    HA2  GLY  34           1HA      GLY  34   5.534   2.675  -2.628
  218    HA3  GLY  34           2HA      GLY  34   5.066   2.730  -0.934
  219    H    VAL  35           H        VAL  35   6.519   1.361   0.506
  220    HA   VAL  35           HA       VAL  35   8.527   1.026   1.492
  221    HB   VAL  35           HB       VAL  35   9.738   0.673  -1.246
  222   HG11  VAL  35          1HG1      VAL  35  11.504   0.150   0.009
  223   HG12  VAL  35          2HG1      VAL  35  10.542   0.147   1.487
  224   HG13  VAL  35          3HG1      VAL  35  10.623  -1.303   0.485
  225   HG21  VAL  35          3HG2      VAL  35   7.958  -0.735  -1.554
  226   HG22  VAL  35          1HG2      VAL  35   9.063  -1.819  -0.708
  227   HG23  VAL  35          2HG2      VAL  35   7.755  -1.032   0.174
  228    H    ILE  36           H        ILE  36  10.362   2.128  -1.241
  229    HA   ILE  36           HA       ILE  36  10.805   4.742  -0.007
  230    HB   ILE  36           HB       ILE  36  13.047   2.821  -0.682
  231   HG12  ILE  36          2HG1      ILE  36  12.406   4.017   2.012
  232   HG13  ILE  36          1HG1      ILE  36  11.751   2.468   1.496
  233   HG21  ILE  36          1HG2      ILE  36  13.104   5.678   0.275
  234   HG22  ILE  36          2HG2      ILE  36  14.507   4.607   0.257
  235   HG23  ILE  36          3HG2      ILE  36  13.715   5.047  -1.256
  236   HD11  ILE  36          3HD1      ILE  36  14.591   2.525   1.091
  237   HD12  ILE  36          1HD1      ILE  36  14.195   2.955   2.754
  238   HD13  ILE  36          2HD1      ILE  36  13.620   1.431   2.078
  239    H    GLY  37           H        GLY  37  10.434   6.156  -1.594
  240    HA2  GLY  37           1HA      GLY  37  11.001   7.325  -3.517
  241    HA3  GLY  37           2HA      GLY  37  12.001   5.974  -4.018
  242    H    SER  38           H        SER  38   8.525   6.192  -3.266
  243    HA   SER  38           HA       SER  38   7.993   5.370  -6.042
  244    HB2  SER  38           1HB      SER  38   6.534   4.570  -3.515
  245    HB3  SER  38           2HB      SER  38   5.921   4.258  -5.141
  246    HG   SER  38           HG       SER  38   7.867   2.961  -3.719
  247    H    GLN  39           H        GLN  39   6.597   6.567  -7.191
  248    HA   GLN  39           HA       GLN  39   5.753   9.081  -6.058
  249    HB2  GLN  39           1HB      GLN  39   6.210   8.014  -8.689
  250    HB3  GLN  39           2HB      GLN  39   4.623   8.767  -8.624
  251    HG2  GLN  39           1HG      GLN  39   5.860  10.746  -7.528
  252    HG3  GLN  39           2HG      GLN  39   7.311   9.997  -8.192
  253   HE21  GLN  39          1HE2      GLN  39   6.627   9.129 -10.594
  254   HE22  GLN  39          2HE2      GLN  39   6.081  10.431 -11.608
  255    H    CYS  40           H        CYS  40   4.321   8.165  -4.476
  256    HA   CYS  40           HA       CYS  40   2.007   6.706  -5.075
  257    HB2  CYS  40           1HB      CYS  40   3.140   8.058  -2.793
  258    HB3  CYS  40           2HB      CYS  40   1.409   8.367  -2.882
  259    H    GLY  41           H        GLY  41  -0.031   7.273  -5.661
  260    HA2  GLY  41           1HA      GLY  41  -0.535  10.143  -6.160
  261    HA3  GLY  41           2HA      GLY  41  -1.126   8.865  -7.218
  262    H    ALA  42           H        ALA  42  -1.222   7.881  -4.036
  263    HA   ALA  42           HA       ALA  42  -4.011   8.734  -3.713
  264    HB1  ALA  42           1HB      ALA  42  -4.827   6.627  -3.551
  265    HB2  ALA  42           2HB      ALA  42  -3.443   6.264  -4.583
  266    HB3  ALA  42           3HB      ALA  42  -3.342   5.988  -2.844
  267    H    SER  43           H        SER  43  -3.665   6.564  -1.387
  268    HA   SER  43           HA       SER  43  -2.526   8.518   0.494
  269    HB2  SER  43           1HB      SER  43  -4.225   6.283   1.475
  270    HB3  SER  43           2HB      SER  43  -4.147   7.958   2.016
  271    HG   SER  43           HG       SER  43  -5.364   8.575   0.248
  272    H    VAL  44           H        VAL  44  -0.691   7.979   1.504
  273    HA   VAL  44           HA       VAL  44   0.403   5.318   1.160
  274    HB   VAL  44           HB       VAL  44   1.695   7.362   2.927
  275   HG11  VAL  44          1HG1      VAL  44   2.531   5.076   1.208
  276   HG12  VAL  44          2HG1      VAL  44   3.683   6.372   1.530
  277   HG13  VAL  44          3HG1      VAL  44   2.983   5.461   2.869
  278   HG21  VAL  44          3HG2      VAL  44   1.194   8.790   1.140
  279   HG22  VAL  44          1HG2      VAL  44   2.819   8.209   0.779
  280   HG23  VAL  44          2HG2      VAL  44   1.429   7.520  -0.060
  281    H    LYS  45           H        LYS  45  -0.266   3.748   2.437
  282    HA   LYS  45           HA       LYS  45  -0.828   4.390   5.258
  283    HB2  LYS  45           1HB      LYS  45  -2.183   2.426   3.411
  284    HB3  LYS  45           2HB      LYS  45  -2.397   2.400   5.156
  285    HG2  LYS  45           1HG      LYS  45  -2.959   4.852   3.520
  286    HG3  LYS  45           2HG      LYS  45  -4.168   3.595   3.786
  287    HD2  LYS  45           1HD      LYS  45  -4.689   4.629   5.690
  288    HD3  LYS  45           2HD      LYS  45  -3.118   4.125   6.312
  289    HE2  LYS  45           2HE      LYS  45  -2.122   6.168   5.799
  290    HE3  LYS  45           1HE      LYS  45  -3.398   6.610   4.666
  291    HZ1  LYS  45           3HZ      LYS  45  -3.663   6.446   7.622
  292    HZ2  LYS  45           1HZ      LYS  45  -4.917   6.835   6.546
  293    HZ3  LYS  45           2HZ      LYS  45  -3.586   7.874   6.704
  294    H    CYS  46           H        CYS  46  -0.339   2.771   6.800
  295    HA   CYS  46           HA       CYS  46   1.957   1.147   6.018
  296    HB2  CYS  46           1HB      CYS  46   1.284   1.186   8.858
  297    HB3  CYS  46           2HB      CYS  46   2.801   1.588   8.058
  298    H    CYS  47           H        CYS  47   1.479  -0.858   5.422
  299    HA   CYS  47           HA       CYS  47  -0.732  -2.227   6.814
  300    HB2  CYS  47           1HB      CYS  47   0.319  -3.102   4.146
  301    HB3  CYS  47           2HB      CYS  47  -1.276  -3.353   4.847
  302    H    LYS  48           H        LYS  48  -0.313  -3.983   7.940
  303    HA   LYS  48           HA       LYS  48   2.328  -5.132   7.994
  304    HB2  LYS  48           1HB      LYS  48   0.626  -4.891   9.938
  305    HB3  LYS  48           2HB      LYS  48  -0.117  -6.332   9.265
  306    HG2  LYS  48           1HG      LYS  48   1.274  -7.234  10.851
  307    HG3  LYS  48           2HG      LYS  48   2.296  -7.308   9.414
  308    HD2  LYS  48           1HD      LYS  48   3.349  -5.183  10.085
  309    HD3  LYS  48           2HD      LYS  48   2.363  -5.173  11.547
  310    HE2  LYS  48           2HE      LYS  48   4.710  -6.027  11.833
  311    HE3  LYS  48           1HE      LYS  48   3.439  -7.111  12.392
  312    HZ1  LYS  48           3HZ      LYS  48   5.367  -7.461  10.262
  313    HZ2  LYS  48           1HZ      LYS  48   3.784  -7.915   9.850
  314    HZ3  LYS  48           2HZ      LYS  48   4.537  -8.620  11.190
  315    H    ASP  49           H        ASP  49   1.558  -5.286   5.478
  316    HA   ASP  49           HA       ASP  49   0.625  -8.039   5.035
  317    HB2  ASP  49           1HB      ASP  49  -0.542  -5.942   3.944
  318    HB3  ASP  49           2HB      ASP  49   0.816  -6.023   2.823
  319    H    ASP  50           H        ASP  50   2.493  -9.182   5.151
  320    HA   ASP  50           HA       ASP  50   4.959  -8.129   4.104
  321    HB2  ASP  50           1HB      ASP  50   4.140 -10.382   5.781
  322    HB3  ASP  50           2HB      ASP  50   5.446 -10.781   4.668
  323    H    VAL  51           H        VAL  51   4.316  -7.869   1.907
  324    HA   VAL  51           HA       VAL  51   3.499  -9.918   0.201
  325    HB   VAL  51           HB       VAL  51   4.715  -8.528  -1.607
  326   HG11  VAL  51          1HG1      VAL  51   2.311  -8.447  -1.187
  327   HG12  VAL  51          2HG1      VAL  51   2.569  -7.243   0.076
  328   HG13  VAL  51          3HG1      VAL  51   2.944  -6.855  -1.603
  329   HG21  VAL  51          3HG2      VAL  51   4.702  -6.124  -0.055
  330   HG22  VAL  51          1HG2      VAL  51   5.792  -7.297   0.685
  331   HG23  VAL  51          2HG2      VAL  51   6.011  -6.831  -1.001
  332    H    THR  52           H        THR  52   4.469 -11.701  -0.438
  333    HA   THR  52           HA       THR  52   7.330 -12.006   0.105
  334    HB   THR  52           HB       THR  52   6.174 -14.474  -0.679
  335    HG1  THR  52           1HG      THR  52   4.661 -13.257   1.401
  336   HG21  THR  52          3HG2      THR  52   7.995 -14.029   0.984
  337   HG22  THR  52          1HG2      THR  52   6.755 -15.147   1.553
  338   HG23  THR  52          2HG2      THR  52   6.756 -13.473   2.110
  339    H    ASN  53           H        ASN  53   5.764 -10.844  -2.323
  340    HA   ASN  53           HA       ASN  53   7.708 -11.683  -4.257
  341    HB2  ASN  53           1HB      ASN  53   5.676 -13.366  -4.298
  342    HB3  ASN  53           2HB      ASN  53   4.879 -12.064  -5.174
  343   HD21  ASN  53          1HD2      ASN  53   5.192 -14.396  -6.418
  344   HD22  ASN  53          2HD2      ASN  53   6.414 -14.291  -7.648
  345    H    THR  54           H        THR  54   7.310 -10.483  -6.377
  346    HA   THR  54           HA       THR  54   6.762  -7.736  -5.758
  347    HB   THR  54           HB       THR  54   7.063  -8.310  -8.585
  348    HG1  THR  54           1HG      THR  54   8.723  -9.651  -8.546
  349   HG21  THR  54          3HG2      THR  54   8.932  -6.960  -6.629
  350   HG22  THR  54          1HG2      THR  54   7.581  -6.163  -7.435
  351   HG23  THR  54          2HG2      THR  54   8.929  -6.787  -8.384
  352    H    GLY  55           H        GLY  55   5.096 -10.371  -7.291
  353    HA2  GLY  55           1HA      GLY  55   2.844 -10.594  -7.722
  354    HA3  GLY  55           2HA      GLY  55   2.613  -8.947  -7.156
  355    H    ASN  56           H        ASN  56   1.117  -8.715  -8.889
  356    HA   ASN  56           HA       ASN  56   2.187  -8.667 -11.600
  357    HB2  ASN  56           1HB      ASN  56  -0.298  -9.251 -10.551
  358    HB3  ASN  56           2HB      ASN  56  -0.522  -7.622 -11.174
  359   HD21  ASN  56          1HD2      ASN  56  -1.011 -10.684 -11.929
  360   HD22  ASN  56          2HD2      ASN  56  -0.791 -10.638 -13.651
  361    H    SER  57           H        SER  57   0.255  -6.435 -12.248
  362    HA   SER  57           HA       SER  57   2.031  -4.230 -11.784
  363    HB2  SER  57           1HB      SER  57  -0.620  -3.511 -12.745
  364    HB3  SER  57           2HB      SER  57   0.944  -3.340 -13.547
  365    HG   SER  57           HG       SER  57   0.691  -5.236 -14.521
  366    H    PHE  58           H        PHE  58  -0.770  -5.562 -10.292
  367    HA   PHE  58           HA       PHE  58  -0.905  -3.288  -8.450
  368    HB2  PHE  58           1HB      PHE  58  -2.790  -3.584 -10.327
  369    HB3  PHE  58           2HB      PHE  58  -3.435  -4.692  -9.121
  370    HD1  PHE  58           1HD      PHE  58  -2.034  -1.250  -9.341
  371    HD2  PHE  58           2HD      PHE  58  -4.887  -3.858  -7.562
  372    HE1  PHE  58           1HE      PHE  58  -3.005   0.650  -8.123
  373    HE2  PHE  58           2HE      PHE  58  -5.863  -1.963  -6.338
  374    HZ   PHE  58           HZ       PHE  58  -4.927   0.301  -6.617
  375    H    LEU  59           H        LEU  59  -1.549  -3.743  -6.370
  376    HA   LEU  59           HA       LEU  59  -1.822  -6.579  -5.643
  377    HB2  LEU  59           1HB      LEU  59   0.072  -4.527  -4.628
  378    HB3  LEU  59           2HB      LEU  59  -0.663  -5.576  -3.432
  379    HG   LEU  59           HG       LEU  59   1.340  -6.642  -3.927
  380   HD11  LEU  59          1HD1      LEU  59   0.763  -8.708  -4.855
  381   HD12  LEU  59          2HD1      LEU  59  -0.752  -8.074  -4.210
  382   HD13  LEU  59          3HD1      LEU  59  -0.424  -7.987  -5.941
  383   HD21  LEU  59          3HD2      LEU  59   1.836  -7.091  -6.483
  384   HD22  LEU  59          1HD2      LEU  59   0.881  -5.622  -6.676
  385   HD23  LEU  59          2HD2      LEU  59   2.341  -5.602  -5.687
  386    H    ILE  60           H        ILE  60  -3.317  -6.981  -4.004
  387    HA   ILE  60           HA       ILE  60  -4.813  -4.622  -3.074
  388    HB   ILE  60           HB       ILE  60  -5.917  -7.334  -3.823
  389   HG12  ILE  60          2HG1      ILE  60  -7.352  -5.273  -5.060
  390   HG13  ILE  60          1HG1      ILE  60  -5.665  -4.786  -5.185
  391   HG21  ILE  60          1HG2      ILE  60  -7.765  -5.171  -3.049
  392   HG22  ILE  60          2HG2      ILE  60  -7.863  -6.908  -2.763
  393   HG23  ILE  60          3HG2      ILE  60  -6.841  -5.903  -1.736
  394   HD11  ILE  60          3HD1      ILE  60  -6.962  -6.416  -6.921
  395   HD12  ILE  60          1HD1      ILE  60  -5.213  -6.348  -6.709
  396   HD13  ILE  60          2HD1      ILE  60  -6.155  -7.583  -5.872
  397    H    ILE  61           H        ILE  61  -4.233  -4.332  -1.046
  398    HA   ILE  61           HA       ILE  61  -3.820  -6.624   0.717
  399    HB   ILE  61           HB       ILE  61  -3.136  -3.691   0.957
  400   HG12  ILE  61          2HG1      ILE  61  -1.089  -5.710   1.476
  401   HG13  ILE  61          1HG1      ILE  61  -1.793  -5.847  -0.130
  402   HG21  ILE  61          1HG2      ILE  61  -3.564  -5.619   3.099
  403   HG22  ILE  61          2HG2      ILE  61  -1.959  -4.890   3.128
  404   HG23  ILE  61          3HG2      ILE  61  -3.394  -3.865   3.171
  405   HD11  ILE  61          3HD1      ILE  61   0.074  -4.457  -0.366
  406   HD12  ILE  61          1HD1      ILE  61  -1.322  -3.379  -0.394
  407   HD13  ILE  61          2HD1      ILE  61  -0.346  -3.519   1.067
  408    H    ASN  62           H        ASN  62  -4.981  -6.853   2.672
  409    HA   ASN  62           HA       ASN  62  -7.713  -5.951   2.443
  410    HB2  ASN  62           1HB      ASN  62  -6.682  -8.280   3.288
  411    HB3  ASN  62           2HB      ASN  62  -6.831  -7.467   4.842
  412   HD21  ASN  62          1HD2      ASN  62  -8.251  -9.783   3.840
  413   HD22  ASN  62          2HD2      ASN  62  -9.937  -9.375   3.867
  414    H    ALA  63           H        ALA  63  -8.833  -4.654   3.845
  415    HA   ALA  63           HA       ALA  63  -7.348  -2.798   5.451
  416    HB1  ALA  63           1HB      ALA  63  -9.144  -1.587   4.928
  417    HB2  ALA  63           2HB      ALA  63 -10.029  -3.022   4.408
  418    HB3  ALA  63           3HB      ALA  63 -10.053  -2.538   6.103
  419    H    ALA  64           H        ALA  64  -6.474  -4.854   6.584
  420    HA   ALA  64           HA       ALA  64  -7.826  -5.018   9.167
  421    HB1  ALA  64           1HB      ALA  64  -8.390  -7.170   9.031
  422    HB2  ALA  64           2HB      ALA  64  -7.988  -7.108   7.314
  423    HB3  ALA  64           3HB      ALA  64  -6.771  -7.613   8.485
  424    H    ASN  65           H        ASN  65  -5.058  -6.398   7.386
  425    HA   ASN  65           HA       ASN  65  -3.308  -6.009   9.639
  426    HB2  ASN  65           1HB      ASN  65  -1.522  -6.800   8.071
  427    HB3  ASN  65           2HB      ASN  65  -2.863  -7.917   8.252
  428   HD21  ASN  65          1HD2      ASN  65  -1.434  -8.460   6.207
  429   HD22  ASN  65          2HD2      ASN  65  -2.114  -7.914   4.707
  430    H    CYS  66           H        CYS  66  -4.012  -4.384   6.619
  431    HA   CYS  66           HA       CYS  66  -2.089  -2.303   7.079
  432    HB2  CYS  66           1HB      CYS  66  -3.129  -2.961   4.826
  433    HB3  CYS  66           2HB      CYS  66  -4.551  -2.065   5.350
  434    H    VAL  67           H        VAL  67  -2.311  -0.518   8.303
  435    HA   VAL  67           HA       VAL  67  -4.889  -0.124   9.651
  436    HB   VAL  67           HB       VAL  67  -3.606   1.348  11.213
  437   HG11  VAL  67          1HG1      VAL  67  -2.120  -1.162  11.427
  438   HG12  VAL  67          2HG1      VAL  67  -3.255  -0.411  12.550
  439   HG13  VAL  67          3HG1      VAL  67  -3.856  -1.368  11.197
  440   HG21  VAL  67          3HG2      VAL  67  -1.224   0.291   9.694
  441   HG22  VAL  67          1HG2      VAL  67  -1.758   1.971   9.779
  442   HG23  VAL  67          2HG2      VAL  67  -1.145   1.166  11.224
  443    H    ALA  68           H        ALA  68  -5.062   2.397  10.295
  444    HA   ALA  68           HA       ALA  68  -4.846   3.842   7.734
  445    HB1  ALA  68           1HB      ALA  68  -7.041   4.175   7.770
  446    HB2  ALA  68           2HB      ALA  68  -7.153   3.181   9.221
  447    HB3  ALA  68           3HB      ALA  68  -6.924   4.924   9.361
  Start of MODEL    5
    1    H1   SER   1           1H       SER   1  -1.339  15.864 -10.356
    2    H2   SER   1           2H       SER   1  -0.355  16.984 -11.157
    3    H3   SER   1           3H       SER   1  -1.347  17.489  -9.878
    4    HA   SER   1           HA       SER   1   1.242  16.236  -9.837
    5    HB2  SER   1           1HB      SER   1   0.011  17.522  -7.459
    6    HB3  SER   1           2HB      SER   1   1.611  17.754  -8.166
    7    HG   SER   1           HG       SER   1   0.711  19.565  -8.821
    8    H    ALA   2           H        ALA   2   1.941  14.732  -8.285
    9    HA   ALA   2           HA       ALA   2  -0.191  13.293  -6.855
   10    HB1  ALA   2           1HB      ALA   2   0.264  11.307  -7.798
   11    HB2  ALA   2           2HB      ALA   2   0.958  12.279  -9.097
   12    HB3  ALA   2           3HB      ALA   2   2.000  11.611  -7.843
   13    H    THR   3           H        THR   3   0.629  11.980  -5.063
   14    HA   THR   3           HA       THR   3   2.560  13.517  -3.571
   15    HB   THR   3           HB       THR   3   1.743  11.236  -2.113
   16    HG1  THR   3           1HG      THR   3  -0.480  12.566  -3.306
   17   HG21  THR   3          3HG2      THR   3   0.255  13.110  -1.020
   18   HG22  THR   3          1HG2      THR   3   1.202  14.172  -2.062
   19   HG23  THR   3          2HG2      THR   3   2.013  13.157  -0.870
   20    H    THR   4           H        THR   4   4.616  13.007  -3.249
   21    HA   THR   4           HA       THR   4   5.619  10.399  -4.121
   22    HB   THR   4           HB       THR   4   7.455  12.487  -3.053
   23    HG1  THR   4           1HG      THR   4   6.006  12.702  -5.507
   24   HG21  THR   4          3HG2      THR   4   8.670  11.742  -5.200
   25   HG22  THR   4          1HG2      THR   4   7.470  10.452  -5.263
   26   HG23  THR   4          2HG2      THR   4   8.549  10.587  -3.873
   27    H    ILE   5           H        ILE   5   6.489   8.911  -2.691
   28    HA   ILE   5           HA       ILE   5   5.865   9.462   0.109
   29    HB   ILE   5           HB       ILE   5   5.634   7.200   0.499
   30   HG12  ILE   5          2HG1      ILE   5   6.848   6.197  -2.019
   31   HG13  ILE   5          1HG1      ILE   5   7.951   6.836  -0.805
   32   HG21  ILE   5          1HG2      ILE   5   4.929   7.425  -2.420
   33   HG22  ILE   5          2HG2      ILE   5   4.248   6.289  -1.254
   34   HG23  ILE   5          3HG2      ILE   5   3.941   8.017  -1.084
   35   HD11  ILE   5          3HD1      ILE   5   6.518   4.328  -0.871
   36   HD12  ILE   5          1HD1      ILE   5   7.905   4.815   0.103
   37   HD13  ILE   5          2HD1      ILE   5   6.270   5.201   0.642
   38    H    GLY   6           H        GLY   6   7.299   9.124   1.788
   39    HA2  GLY   6           1HA      GLY   6  10.110   9.374   1.079
   40    HA3  GLY   6           2HA      GLY   6   9.417   9.537   2.688
   41    HA   PRO   7           HA       PRO   7  11.272   5.246   1.974
   42    HB2  PRO   7           1HB      PRO   7  13.590   5.965   3.560
   43    HB3  PRO   7           2HB      PRO   7  13.522   5.416   1.886
   44    HG2  PRO   7           1HG      PRO   7  14.239   7.949   2.599
   45    HG3  PRO   7           2HG      PRO   7  13.477   7.543   1.047
   46    HD2  PRO   7           1HD      PRO   7  12.240   8.686   3.530
   47    HD3  PRO   7           2HD      PRO   7  11.964   9.122   1.829
   48    H    ASN   8           H        ASN   8  11.149   7.348   4.772
   49    HA   ASN   8           HA       ASN   8  10.579   4.992   6.438
   50    HB2  ASN   8           1HB      ASN   8  12.856   6.348   6.752
   51    HB3  ASN   8           2HB      ASN   8  11.808   7.377   7.726
   52   HD21  ASN   8          1HD2      ASN   8  11.948   6.904   9.784
   53   HD22  ASN   8          2HD2      ASN   8  12.111   5.317  10.462
   54    H    THR   9           H        THR   9   8.527   6.243   5.222
   55    HA   THR   9           HA       THR   9   7.385   8.269   6.911
   56    HB   THR   9           HB       THR   9   5.706   6.658   5.033
   57    HG1  THR   9           1HG      THR   9   6.960   7.123   3.392
   58   HG21  THR   9          3HG2      THR   9   5.729   9.342   6.225
   59   HG22  THR   9          1HG2      THR   9   4.374   8.360   5.665
   60   HG23  THR   9          2HG2      THR   9   5.311   9.310   4.512
   61    H    CYS  10           H        CYS  10   7.799   5.009   7.298
   62    HA   CYS  10           HA       CYS  10   5.350   4.688   8.880
   63    HB2  CYS  10           1HB      CYS  10   7.268   2.650   7.739
   64    HB3  CYS  10           2HB      CYS  10   5.981   2.243   8.872
   65    H    SER  11           H        SER  11   5.598   5.167  10.946
   66    HA   SER  11           HA       SER  11   8.014   4.210  12.319
   67    HB2  SER  11           1HB      SER  11   6.671   6.663  13.350
   68    HB3  SER  11           2HB      SER  11   8.379   6.214  13.384
   69    HG   SER  11           HG       SER  11   8.022   6.476  10.915
   70    H    ILE  12           H        ILE  12   6.278   2.434  12.418
   71    HA   ILE  12           HA       ILE  12   4.695   2.814  14.877
   72    HB   ILE  12           HB       ILE  12   3.818   1.171  12.482
   73   HG12  ILE  12          2HG1      ILE  12   2.258   3.524  13.422
   74   HG13  ILE  12          1HG1      ILE  12   3.747   3.856  12.540
   75   HG21  ILE  12          1HG2      ILE  12   2.673   1.624  15.215
   76   HG22  ILE  12          2HG2      ILE  12   1.614   1.265  13.852
   77   HG23  ILE  12          3HG2      ILE  12   2.869   0.117  14.317
   78   HD11  ILE  12          3HD1      ILE  12   2.292   3.796  10.807
   79   HD12  ILE  12          1HD1      ILE  12   2.708   2.082  10.875
   80   HD13  ILE  12          2HD1      ILE  12   1.208   2.657  11.605
   81    H    ASP  13           H        ASP  13   5.153   0.036  12.765
   82    HA   ASP  13           HA       ASP  13   6.958  -1.255  14.629
   83    HB2  ASP  13           1HB      ASP  13   4.441  -1.699  15.247
   84    HB3  ASP  13           2HB      ASP  13   4.487  -2.782  13.861
   85    H    ASP  14           H        ASP  14   6.128  -3.878  13.240
   86    HA   ASP  14           HA       ASP  14   7.765  -3.499  10.896
   87    HB2  ASP  14           1HB      ASP  14   7.758  -5.621  12.301
   88    HB3  ASP  14           2HB      ASP  14   6.202  -5.995  11.561
   89    H    TYR  15           H        TYR  15   6.348  -1.881   9.983
   90    HA   TYR  15           HA       TYR  15   4.233  -3.126   8.372
   91    HB2  TYR  15           1HB      TYR  15   4.201  -0.485   9.816
   92    HB3  TYR  15           2HB      TYR  15   3.154  -0.788   8.429
   93    HD1  TYR  15           2HD      TYR  15   1.674  -2.918   8.551
   94    HD2  TYR  15           1HD      TYR  15   3.483  -1.109  11.950
   95    HE1  TYR  15           2HE      TYR  15   0.051  -4.050  10.007
   96    HE2  TYR  15           1HE      TYR  15   1.865  -2.240  13.417
   97    HH   TYR  15           HH       TYR  15  -0.075  -4.788  12.408
   98    H    LYS  16           H        LYS  16   4.054  -2.369   6.230
   99    HA   LYS  16           HA       LYS  16   6.545  -1.099   5.305
  100    HB2  LYS  16           1HB      LYS  16   4.743  -3.178   4.089
  101    HB3  LYS  16           2HB      LYS  16   5.839  -2.238   3.085
  102    HG2  LYS  16           1HG      LYS  16   7.476  -3.641   3.573
  103    HG3  LYS  16           2HG      LYS  16   7.332  -3.216   5.280
  104    HD2  LYS  16           1HD      LYS  16   5.335  -5.124   4.215
  105    HD3  LYS  16           2HD      LYS  16   6.993  -5.712   4.347
  106    HE2  LYS  16           2HE      LYS  16   5.491  -4.395   6.605
  107    HE3  LYS  16           1HE      LYS  16   5.557  -6.139   6.356
  108    HZ1  LYS  16           3HZ      LYS  16   7.684  -4.301   7.200
  109    HZ2  LYS  16           1HZ      LYS  16   8.113  -5.696   6.335
  110    HZ3  LYS  16           2HZ      LYS  16   7.277  -5.832   7.810
  111    HA   PRO  17           HA       PRO  17   4.081   2.200   3.752
  112    HB2  PRO  17           1HB      PRO  17   6.078   2.960   1.842
  113    HB3  PRO  17           2HB      PRO  17   5.763   3.672   3.422
  114    HG2  PRO  17           1HG      PRO  17   8.035   2.250   2.750
  115    HG3  PRO  17           2HG      PRO  17   7.454   2.516   4.401
  116    HD2  PRO  17           1HD      PRO  17   7.194   0.107   2.661
  117    HD3  PRO  17           2HD      PRO  17   7.420   0.216   4.420
  118    H    TYR  18           H        TYR  18   2.374   1.457   2.606
  119    HA   TYR  18           HA       TYR  18   2.857   0.687  -0.192
  120    HB2  TYR  18           1HB      TYR  18   0.498   0.162   1.621
  121    HB3  TYR  18           2HB      TYR  18   0.548  -0.257  -0.086
  122    HD1  TYR  18           2HD      TYR  18   2.573  -1.795  -0.792
  123    HD2  TYR  18           1HD      TYR  18   1.094  -1.420   3.179
  124    HE1  TYR  18           2HE      TYR  18   3.558  -3.976  -0.224
  125    HE2  TYR  18           1HE      TYR  18   2.072  -3.599   3.756
  126    HH   TYR  18           HH       TYR  18   2.724  -5.735   2.425
  127    H    CYS  19           H        CYS  19   1.418   1.514  -1.789
  128    HA   CYS  19           HA       CYS  19   0.323   4.147  -1.115
  129    HB2  CYS  19           1HB      CYS  19   1.923   4.110  -2.975
  130    HB3  CYS  19           2HB      CYS  19   0.936   2.915  -3.811
  131    H    CYS  20           H        CYS  20  -1.621   3.516  -0.194
  132    HA   CYS  20           HA       CYS  20  -3.328   1.644  -1.598
  133    HB2  CYS  20           1HB      CYS  20  -3.175   2.732   1.091
  134    HB3  CYS  20           2HB      CYS  20  -4.821   2.754   0.469
  135    H    GLN  21           H        GLN  21  -4.520   2.265  -3.210
  136    HA   GLN  21           HA       GLN  21  -5.356   4.993  -3.577
  137    HB2  GLN  21           1HB      GLN  21  -6.416   2.612  -5.085
  138    HB3  GLN  21           2HB      GLN  21  -6.284   4.277  -5.635
  139    HG2  GLN  21           1HG      GLN  21  -3.835   2.715  -4.944
  140    HG3  GLN  21           2HG      GLN  21  -4.619   2.510  -6.509
  141   HE21  GLN  21          1HE2      GLN  21  -1.990   3.689  -5.652
  142   HE22  GLN  21          2HE2      GLN  21  -1.949   5.245  -6.404
  143    H    SER  22           H        SER  22  -6.993   5.846  -2.498
  144    HA   SER  22           HA       SER  22  -8.941   4.213  -1.160
  145    HB2  SER  22           1HB      SER  22  -9.505   7.078  -1.266
  146    HB3  SER  22           2HB      SER  22  -9.222   6.038   0.131
  147    HG   SER  22           HG       SER  22  -7.223   6.684   0.196
  148    H    MET  23           H        MET  23  -9.836   3.191  -3.030
  149    HA   MET  23           HA       MET  23 -11.265   4.757  -4.977
  150    HB2  MET  23           1HB      MET  23 -11.327   1.777  -4.462
  151    HB3  MET  23           2HB      MET  23 -11.980   2.589  -5.877
  152    HG2  MET  23           1HG      MET  23  -9.802   3.229  -6.601
  153    HG3  MET  23           2HG      MET  23  -9.079   2.657  -5.098
  154    HE1  MET  23           3HE      MET  23  -9.242  -1.049  -5.187
  155    HE2  MET  23           1HE      MET  23  -7.818  -0.014  -5.276
  156    HE3  MET  23           2HE      MET  23  -9.179   0.447  -4.254
  157    H    SER  24           H        SER  24 -12.626   5.931  -3.509
  158    HA   SER  24           HA       SER  24 -14.448   4.824  -1.724
  159    HB2  SER  24           1HB      SER  24 -15.141   7.250  -3.350
  160    HB3  SER  24           2HB      SER  24 -15.420   6.942  -1.634
  161    HG   SER  24           HG       SER  24 -13.158   7.122  -1.304
  162    H    GLY  25           H        GLY  25 -16.023   3.452  -2.042
  163    HA2  GLY  25           1HA      GLY  25 -18.182   3.068  -3.242
  164    HA3  GLY  25           2HA      GLY  25 -17.262   3.315  -4.725
  165    H    SER  26           H        SER  26 -15.196   1.882  -2.698
  166    HA   SER  26           HA       SER  26 -16.078  -0.866  -3.051
  167    HB2  SER  26           1HB      SER  26 -13.394  -0.933  -3.878
  168    HB3  SER  26           2HB      SER  26 -14.815  -1.207  -4.890
  169    HG   SER  26           HG       SER  26 -13.767   1.375  -4.344
  170    H    ALA  27           H        ALA  27 -15.478  -2.062  -1.328
  171    HA   ALA  27           HA       ALA  27 -13.847  -0.797   0.719
  172    HB1  ALA  27           1HB      ALA  27 -15.756  -1.797   1.616
  173    HB2  ALA  27           2HB      ALA  27 -15.571  -3.249   0.632
  174    HB3  ALA  27           3HB      ALA  27 -14.470  -2.949   1.978
  175    H    SER  28           H        SER  28 -12.371  -1.363  -1.530
  176    HA   SER  28           HA       SER  28 -10.665  -3.583  -0.635
  177    HB2  SER  28           1HB      SER  28 -10.565  -2.795  -3.493
  178    HB3  SER  28           2HB      SER  28 -10.459  -4.397  -2.759
  179    HG   SER  28           HG       SER  28 -12.756  -4.229  -2.370
  180    H    LEU  29           H        LEU  29  -8.854  -2.803   0.173
  181    HA   LEU  29           HA       LEU  29  -7.923  -0.163  -0.510
  182    HB2  LEU  29           1HB      LEU  29  -7.278  -2.218   1.520
  183    HB3  LEU  29           2HB      LEU  29  -5.950  -1.180   1.036
  184    HG   LEU  29           HG       LEU  29  -6.764  -0.017   2.836
  185   HD11  LEU  29          1HD1      LEU  29  -7.041   1.224   0.530
  186   HD12  LEU  29          2HD1      LEU  29  -8.747   1.191   0.981
  187   HD13  LEU  29          3HD1      LEU  29  -7.568   1.966   2.040
  188   HD21  LEU  29          3HD2      LEU  29  -9.380   0.243   3.039
  189   HD22  LEU  29          1HD2      LEU  29  -9.367  -1.246   2.097
  190   HD23  LEU  29          2HD2      LEU  29  -8.548  -1.185   3.657
  191    H    GLY  30           H        GLY  30  -7.005   0.017  -2.452
  192    HA2  GLY  30           1HA      GLY  30  -5.368  -2.104  -3.558
  193    HA3  GLY  30           2HA      GLY  30  -5.781  -0.580  -4.340
  194    H    CYS  31           H        CYS  31  -3.633  -2.155  -2.075
  195    HA   CYS  31           HA       CYS  31  -2.119   0.308  -1.710
  196    HB2  CYS  31           1HB      CYS  31  -2.544  -2.127  -0.166
  197    HB3  CYS  31           2HB      CYS  31  -0.845  -1.680  -0.260
  198    H    VAL  32           H        VAL  32  -1.118   0.502  -3.692
  199    HA   VAL  32           HA       VAL  32   0.416  -1.570  -4.890
  200    HB   VAL  32           HB       VAL  32   1.070   1.311  -5.365
  201   HG11  VAL  32          1HG1      VAL  32   0.952  -1.213  -6.958
  202   HG12  VAL  32          2HG1      VAL  32   0.925   0.355  -7.761
  203   HG13  VAL  32          3HG1      VAL  32   2.296  -0.090  -6.744
  204   HG21  VAL  32          3HG2      VAL  32  -1.564   0.596  -5.231
  205   HG22  VAL  32          1HG2      VAL  32  -0.921   1.909  -6.219
  206   HG23  VAL  32          2HG2      VAL  32  -1.199   0.321  -6.935
  207    H    VAL  33           H        VAL  33   2.655  -1.897  -4.851
  208    HA   VAL  33           HA       VAL  33   3.865  -1.642  -2.345
  209    HB   VAL  33           HB       VAL  33   5.310  -2.077  -4.964
  210   HG11  VAL  33          1HG1      VAL  33   7.112  -2.145  -3.666
  211   HG12  VAL  33          2HG1      VAL  33   6.138  -2.036  -2.203
  212   HG13  VAL  33          3HG1      VAL  33   6.454  -3.610  -2.938
  213   HG21  VAL  33          3HG2      VAL  33   5.041  -4.540  -4.261
  214   HG22  VAL  33          1HG2      VAL  33   3.721  -3.956  -3.249
  215   HG23  VAL  33          2HG2      VAL  33   3.659  -3.726  -4.996
  216    H    GLY  34           H        GLY  34   4.590   0.126  -1.384
  217    HA2  GLY  34           1HA      GLY  34   5.408   2.434  -2.967
  218    HA3  GLY  34           2HA      GLY  34   5.152   2.397  -1.227
  219    H    VAL  35           H        VAL  35   7.381   1.881  -3.806
  220    HA   VAL  35           HA       VAL  35   9.466   0.862  -2.091
  221    HB   VAL  35           HB       VAL  35  10.388   1.824  -4.676
  222   HG11  VAL  35          1HG1      VAL  35  10.402  -0.713  -3.104
  223   HG12  VAL  35          2HG1      VAL  35  10.869  -0.733  -4.806
  224   HG13  VAL  35          3HG1      VAL  35  11.751   0.275  -3.660
  225   HG21  VAL  35          3HG2      VAL  35   8.141   1.453  -5.438
  226   HG22  VAL  35          1HG2      VAL  35   9.153   0.130  -6.015
  227   HG23  VAL  35          2HG2      VAL  35   8.079  -0.117  -4.637
  228    H    ILE  36           H        ILE  36  11.653   1.976  -2.198
  229    HA   ILE  36           HA       ILE  36  11.368   4.454  -0.891
  230    HB   ILE  36           HB       ILE  36  13.918   3.344  -2.052
  231   HG12  ILE  36          2HG1      ILE  36  12.813   1.618  -0.718
  232   HG13  ILE  36          1HG1      ILE  36  14.249   2.216   0.104
  233   HG21  ILE  36          1HG2      ILE  36  14.442   4.546   0.382
  234   HG22  ILE  36          2HG2      ILE  36  14.768   5.220  -1.213
  235   HG23  ILE  36          3HG2      ILE  36  13.268   5.618  -0.378
  236   HD11  ILE  36          3HD1      ILE  36  12.296   3.822   1.133
  237   HD12  ILE  36          1HD1      ILE  36  11.453   2.285   0.921
  238   HD13  ILE  36          2HD1      ILE  36  12.925   2.360   1.888
  239    H    GLY  37           H        GLY  37  10.811   6.282  -1.856
  240    HA2  GLY  37           1HA      GLY  37  11.199   8.176  -3.144
  241    HA3  GLY  37           2HA      GLY  37  12.450   7.300  -4.016
  242    H    SER  38           H        SER  38   9.278   5.946  -3.623
  243    HA   SER  38           HA       SER  38   8.837   6.296  -6.495
  244    HB2  SER  38           1HB      SER  38   7.703   4.327  -4.506
  245    HB3  SER  38           2HB      SER  38   7.123   4.467  -6.168
  246    HG   SER  38           HG       SER  38   9.659   4.303  -6.470
  247    H    GLN  39           H        GLN  39   6.907   7.080  -7.311
  248    HA   GLN  39           HA       GLN  39   5.547   8.954  -5.589
  249    HB2  GLN  39           1HB      GLN  39   6.164   9.495  -7.942
  250    HB3  GLN  39           2HB      GLN  39   5.006   8.287  -8.489
  251    HG2  GLN  39           1HG      GLN  39   3.457   9.860  -8.497
  252    HG3  GLN  39           2HG      GLN  39   3.588   9.943  -6.740
  253   HE21  GLN  39          1HE2      GLN  39   3.662  11.728  -9.477
  254   HE22  GLN  39          2HE2      GLN  39   4.584  13.084  -8.914
  255    H    CYS  40           H        CYS  40   3.619   8.713  -4.655
  256    HA   CYS  40           HA       CYS  40   2.226   6.181  -5.003
  257    HB2  CYS  40           1HB      CYS  40   2.642   6.879  -2.725
  258    HB3  CYS  40           2HB      CYS  40   1.863   8.430  -3.019
  259    H    GLY  41           H        GLY  41   1.090   9.528  -4.614
  260    HA2  GLY  41           1HA      GLY  41  -0.326  10.661  -6.155
  261    HA3  GLY  41           2HA      GLY  41  -0.755   9.106  -6.857
  262    H    ALA  42           H        ALA  42  -1.322   7.741  -4.451
  263    HA   ALA  42           HA       ALA  42  -3.878   9.004  -3.802
  264    HB1  ALA  42           1HB      ALA  42  -3.038   6.307  -4.273
  265    HB2  ALA  42           2HB      ALA  42  -3.803   6.436  -2.690
  266    HB3  ALA  42           3HB      ALA  42  -4.668   6.963  -4.134
  267    H    SER  43           H        SER  43  -2.571   6.608  -1.658
  268    HA   SER  43           HA       SER  43  -1.873   8.661   0.309
  269    HB2  SER  43           1HB      SER  43  -3.359   6.610   1.648
  270    HB3  SER  43           2HB      SER  43  -3.707   8.335   1.554
  271    HG   SER  43           HG       SER  43  -4.453   6.372  -0.372
  272    H    VAL  44           H        VAL  44  -0.160   8.145   1.507
  273    HA   VAL  44           HA       VAL  44   1.139   5.587   1.172
  274    HB   VAL  44           HB       VAL  44   1.967   7.638   3.210
  275   HG11  VAL  44          1HG1      VAL  44   3.719   5.991   1.422
  276   HG12  VAL  44          2HG1      VAL  44   4.102   6.730   2.977
  277   HG13  VAL  44          3HG1      VAL  44   3.035   5.327   2.906
  278   HG21  VAL  44          3HG2      VAL  44   1.464   8.524   0.759
  279   HG22  VAL  44          1HG2      VAL  44   2.854   9.086   1.687
  280   HG23  VAL  44          2HG2      VAL  44   3.061   7.840   0.456
  281    H    LYS  45           H        LYS  45   0.429   3.874   2.267
  282    HA   LYS  45           HA       LYS  45  -0.569   4.290   5.011
  283    HB2  LYS  45           1HB      LYS  45  -1.503   2.237   2.994
  284    HB3  LYS  45           2HB      LYS  45  -2.097   2.403   4.643
  285    HG2  LYS  45           1HG      LYS  45  -2.570   4.883   3.782
  286    HG3  LYS  45           2HG      LYS  45  -2.670   4.027   2.242
  287    HD2  LYS  45           1HD      LYS  45  -4.869   4.154   3.237
  288    HD3  LYS  45           2HD      LYS  45  -4.313   2.479   3.253
  289    HE2  LYS  45           2HE      LYS  45  -5.349   3.012   5.366
  290    HE3  LYS  45           1HE      LYS  45  -3.618   2.760   5.600
  291    HZ1  LYS  45           3HZ      LYS  45  -3.466   5.290   5.371
  292    HZ2  LYS  45           1HZ      LYS  45  -4.088   4.656   6.817
  293    HZ3  LYS  45           2HZ      LYS  45  -5.138   5.288   5.648
  294    H    CYS  46           H        CYS  46   0.227   3.017   6.583
  295    HA   CYS  46           HA       CYS  46   2.423   1.245   5.819
  296    HB2  CYS  46           1HB      CYS  46   1.617   2.350   8.517
  297    HB3  CYS  46           2HB      CYS  46   3.012   1.314   8.230
  298    H    CYS  47           H        CYS  47   1.132  -0.452   5.056
  299    HA   CYS  47           HA       CYS  47  -0.395  -1.897   7.117
  300    HB2  CYS  47           1HB      CYS  47  -0.577  -2.455   4.168
  301    HB3  CYS  47           2HB      CYS  47  -1.758  -2.796   5.428
  302    H    LYS  48           H        LYS  48  -0.468  -4.409   6.162
  303    HA   LYS  48           HA       LYS  48   2.310  -5.179   5.592
  304    HB2  LYS  48           1HB      LYS  48   1.982  -5.504   7.984
  305    HB3  LYS  48           2HB      LYS  48   0.501  -6.401   7.688
  306    HG2  LYS  48           1HG      LYS  48   2.029  -8.012   6.358
  307    HG3  LYS  48           2HG      LYS  48   3.335  -7.237   7.256
  308    HD2  LYS  48           1HD      LYS  48   2.873  -8.456   9.053
  309    HD3  LYS  48           2HD      LYS  48   1.204  -7.889   9.049
  310    HE2  LYS  48           2HE      LYS  48   1.635  -9.838   6.968
  311    HE3  LYS  48           1HE      LYS  48   2.115 -10.479   8.537
  312    HZ1  LYS  48           3HZ      LYS  48  -0.171 -10.971   8.197
  313    HZ2  LYS  48           1HZ      LYS  48  -0.530  -9.363   7.800
  314    HZ3  LYS  48           2HZ      LYS  48  -0.087  -9.762   9.384
  315    H    ASP  49           H        ASP  49  -0.956  -6.458   6.011
  316    HA   ASP  49           HA       ASP  49  -2.156  -8.032   4.953
  317    HB2  ASP  49           1HB      ASP  49  -1.928  -6.142   3.189
  318    HB3  ASP  49           2HB      ASP  49  -0.836  -7.249   2.365
  319    H    ASP  50           H        ASP  50  -1.082  -9.275   2.321
  320    HA   ASP  50           HA       ASP  50   1.008 -10.960   3.528
  321    HB2  ASP  50           1HB      ASP  50  -1.364 -12.003   3.442
  322    HB3  ASP  50           2HB      ASP  50  -1.075 -12.140   1.710
  323    H    VAL  51           H        VAL  51   2.750 -10.453   2.426
  324    HA   VAL  51           HA       VAL  51   2.637  -9.606  -0.324
  325    HB   VAL  51           HB       VAL  51   5.021  -9.256  -0.177
  326   HG11  VAL  51          1HG1      VAL  51   3.316  -7.760   1.071
  327   HG12  VAL  51          2HG1      VAL  51   4.049  -8.434   2.526
  328   HG13  VAL  51          3HG1      VAL  51   5.039  -7.539   1.375
  329   HG21  VAL  51          3HG2      VAL  51   5.864 -11.144   0.925
  330   HG22  VAL  51          1HG2      VAL  51   6.166  -9.812   2.041
  331   HG23  VAL  51          2HG2      VAL  51   4.813 -10.908   2.322
  332    H    THR  52           H        THR  52   2.893 -12.644   1.194
  333    HA   THR  52           HA       THR  52   4.390 -13.733  -1.083
  334    HB   THR  52           HB       THR  52   5.588 -14.674   0.563
  335    HG1  THR  52           1HG      THR  52   5.039 -16.710   0.551
  336   HG21  THR  52          3HG2      THR  52   4.394 -13.293   2.268
  337   HG22  THR  52          1HG2      THR  52   4.965 -14.853   2.864
  338   HG23  THR  52          2HG2      THR  52   3.261 -14.628   2.473
  339    H    ASN  53           H        ASN  53   1.336 -13.953   0.628
  340    HA   ASN  53           HA       ASN  53   0.390 -16.187  -0.932
  341    HB2  ASN  53           1HB      ASN  53  -0.623 -14.550   1.267
  342    HB3  ASN  53           2HB      ASN  53  -1.865 -14.948   0.083
  343   HD21  ASN  53          1HD2      ASN  53  -0.790 -15.847   2.914
  344   HD22  ASN  53          2HD2      ASN  53  -1.015 -17.569   2.845
  345    H    THR  54           H        THR  54  -0.435 -12.716  -0.809
  346    HA   THR  54           HA       THR  54  -2.053 -12.903  -3.174
  347    HB   THR  54           HB       THR  54  -1.258 -10.218  -2.302
  348    HG1  THR  54           1HG      THR  54  -1.534 -10.522  -0.230
  349   HG21  THR  54          3HG2      THR  54  -3.226 -10.982  -3.786
  350   HG22  THR  54          1HG2      THR  54  -3.530  -9.742  -2.570
  351   HG23  THR  54          2HG2      THR  54  -4.014 -11.412  -2.267
  352    H    GLY  55           H        GLY  55  -0.302 -13.766  -4.524
  353    HA2  GLY  55           1HA      GLY  55   1.952 -12.179  -5.203
  354    HA3  GLY  55           2HA      GLY  55   1.346 -13.560  -6.105
  355    H    ASN  56           H        ASN  56   1.557 -10.165  -5.930
  356    HA   ASN  56           HA       ASN  56   0.643  -9.930  -8.638
  357    HB2  ASN  56           1HB      ASN  56  -1.408  -9.720  -6.962
  358    HB3  ASN  56           2HB      ASN  56  -0.788  -8.082  -6.778
  359   HD21  ASN  56          1HD2      ASN  56  -0.323  -9.722  -9.784
  360   HD22  ASN  56          2HD2      ASN  56  -1.502  -8.827 -10.689
  361    H    SER  57           H        SER  57   0.753  -7.488  -9.281
  362    HA   SER  57           HA       SER  57   3.348  -6.568  -8.471
  363    HB2  SER  57           1HB      SER  57   2.078  -4.612 -10.071
  364    HB3  SER  57           2HB      SER  57   3.278  -5.803 -10.576
  365    HG   SER  57           HG       SER  57   0.994  -5.713 -11.568
  366    H    PHE  58           H        PHE  58   0.242  -6.113  -7.325
  367    HA   PHE  58           HA       PHE  58   1.178  -4.116  -5.468
  368    HB2  PHE  58           1HB      PHE  58  -0.341  -2.428  -5.925
  369    HB3  PHE  58           2HB      PHE  58   0.061  -2.981  -7.542
  370    HD1  PHE  58           2HD      PHE  58  -1.552  -4.706  -8.608
  371    HD2  PHE  58           1HD      PHE  58  -2.539  -2.274  -5.259
  372    HE1  PHE  58           2HE      PHE  58  -3.943  -5.031  -9.083
  373    HE2  PHE  58           1HE      PHE  58  -4.929  -2.592  -5.725
  374    HZ   PHE  58           HZ       PHE  58  -5.638  -3.976  -7.642
  375    H    LEU  59           H        LEU  59  -0.189  -4.008  -3.565
  376    HA   LEU  59           HA       LEU  59  -1.431  -6.629  -3.184
  377    HB2  LEU  59           1HB      LEU  59  -0.157  -4.689  -1.273
  378    HB3  LEU  59           2HB      LEU  59  -1.095  -6.066  -0.726
  379    HG   LEU  59           HG       LEU  59   1.517  -6.091  -2.224
  380   HD11  LEU  59          1HD1      LEU  59   2.095  -7.571  -0.239
  381   HD12  LEU  59          2HD1      LEU  59   1.889  -5.847   0.075
  382   HD13  LEU  59          3HD1      LEU  59   0.602  -6.977   0.492
  383   HD21  LEU  59          3HD2      LEU  59   1.322  -8.315  -2.727
  384   HD22  LEU  59          1HD2      LEU  59   0.152  -8.615  -1.442
  385   HD23  LEU  59          2HD2      LEU  59  -0.358  -7.811  -2.926
  386    H    ILE  60           H        ILE  60  -3.558  -6.634  -3.308
  387    HA   ILE  60           HA       ILE  60  -5.146  -4.377  -2.445
  388    HB   ILE  60           HB       ILE  60  -6.240  -7.124  -3.013
  389   HG12  ILE  60          2HG1      ILE  60  -6.192  -5.194  -5.248
  390   HG13  ILE  60          1HG1      ILE  60  -4.628  -5.886  -4.825
  391   HG21  ILE  60          1HG2      ILE  60  -7.405  -4.387  -3.500
  392   HG22  ILE  60          2HG2      ILE  60  -8.233  -5.939  -3.638
  393   HG23  ILE  60          3HG2      ILE  60  -7.704  -5.358  -2.058
  394   HD11  ILE  60          3HD1      ILE  60  -7.107  -7.320  -5.718
  395   HD12  ILE  60          1HD1      ILE  60  -5.536  -7.249  -6.514
  396   HD13  ILE  60          2HD1      ILE  60  -5.722  -8.149  -5.008
  397    H    ILE  61           H        ILE  61  -5.429  -4.024  -0.338
  398    HA   ILE  61           HA       ILE  61  -4.713  -6.044   1.579
  399    HB   ILE  61           HB       ILE  61  -6.000  -3.426   2.298
  400   HG12  ILE  61          2HG1      ILE  61  -4.265  -2.930   0.620
  401   HG13  ILE  61          1HG1      ILE  61  -3.821  -2.330   2.214
  402   HG21  ILE  61          1HG2      ILE  61  -5.625  -4.395   4.291
  403   HG22  ILE  61          2HG2      ILE  61  -4.390  -5.483   3.653
  404   HG23  ILE  61          3HG2      ILE  61  -3.978  -3.813   4.046
  405   HD11  ILE  61          3HD1      ILE  61  -2.006  -3.427   0.849
  406   HD12  ILE  61          1HD1      ILE  61  -2.207  -4.008   2.503
  407   HD13  ILE  61          2HD1      ILE  61  -2.835  -4.954   1.153
  408    H    ASN  62           H        ASN  62  -5.985  -7.249   2.821
  409    HA   ASN  62           HA       ASN  62  -8.802  -7.406   2.221
  410    HB2  ASN  62           1HB      ASN  62  -7.225  -9.366   2.738
  411    HB3  ASN  62           2HB      ASN  62  -7.372  -8.887   4.426
  412   HD21  ASN  62          1HD2      ASN  62  -8.669 -10.229   5.413
  413   HD22  ASN  62          2HD2      ASN  62 -10.187 -10.817   4.814
  414    H    ALA  63           H        ALA  63  -8.147  -4.922   3.265
  415    HA   ALA  63           HA       ALA  63  -8.830  -3.346   4.733
  416    HB1  ALA  63           1HB      ALA  63 -11.010  -4.615   4.435
  417    HB2  ALA  63           2HB      ALA  63 -10.662  -5.365   5.993
  418    HB3  ALA  63           3HB      ALA  63 -10.860  -3.614   5.880
  419    H    ALA  64           H        ALA  64  -9.071  -6.250   6.769
  420    HA   ALA  64           HA       ALA  64  -7.853  -4.844   8.969
  421    HB1  ALA  64           1HB      ALA  64  -9.492  -7.181   8.612
  422    HB2  ALA  64           2HB      ALA  64  -8.126  -7.530   9.672
  423    HB3  ALA  64           3HB      ALA  64  -9.222  -6.206  10.057
  424    H    ASN  65           H        ASN  65  -5.908  -4.746   7.263
  425    HA   ASN  65           HA       ASN  65  -3.894  -6.349   8.606
  426    HB2  ASN  65           1HB      ASN  65  -4.760  -7.179   6.106
  427    HB3  ASN  65           2HB      ASN  65  -3.296  -6.258   5.760
  428   HD21  ASN  65          1HD2      ASN  65  -4.157  -9.213   5.957
  429   HD22  ASN  65          2HD2      ASN  65  -2.853  -9.939   6.826
  430    H    CYS  66           H        CYS  66  -4.880  -3.595   8.322
  431    HA   CYS  66           HA       CYS  66  -2.274  -2.320   7.934
  432    HB2  CYS  66           1HB      CYS  66  -3.955  -1.957   5.981
  433    HB3  CYS  66           2HB      CYS  66  -4.809  -0.919   7.117
  434    H    VAL  67           H        VAL  67  -2.197  -0.178   9.101
  435    HA   VAL  67           HA       VAL  67  -3.369  -0.528  11.712
  436    HB   VAL  67           HB       VAL  67  -1.819   1.906  10.864
  437   HG11  VAL  67          1HG1      VAL  67  -1.578   0.519  13.491
  438   HG12  VAL  67          2HG1      VAL  67  -1.398   2.228  13.096
  439   HG13  VAL  67          3HG1      VAL  67  -3.003   1.503  13.163
  440   HG21  VAL  67          3HG2      VAL  67  -0.027   0.114  12.050
  441   HG22  VAL  67          1HG2      VAL  67  -0.883  -0.809  10.813
  442   HG23  VAL  67          2HG2      VAL  67  -0.040   0.678  10.380
  443    H    ALA  68           H        ALA  68  -3.155   2.496   9.870
  444    HA   ALA  68           HA       ALA  68  -6.023   2.862   9.937
  445    HB1  ALA  68           1HB      ALA  68  -4.528   5.124  11.142
  446    HB2  ALA  68           2HB      ALA  68  -6.167   4.551  11.461
  447    HB3  ALA  68           3HB      ALA  68  -4.785   3.701  12.151
  Start of MODEL    6
    1    H1   SER   1           1H       SER   1   1.379  17.135  -7.986
    2    H2   SER   1           2H       SER   1   2.269  16.205  -6.886
    3    H3   SER   1           3H       SER   1   1.327  17.502  -6.332
    4    HA   SER   1           HA       SER   1  -0.496  16.293  -6.210
    5    HB2  SER   1           1HB      SER   1  -0.343  14.540  -8.489
    6    HB3  SER   1           2HB      SER   1  -1.468  15.865  -8.182
    7    HG   SER   1           HG       SER   1  -0.414  16.565  -9.930
    8    H    ALA   2           H        ALA   2   2.390  14.526  -7.216
    9    HA   ALA   2           HA       ALA   2   1.488  12.137  -5.805
   10    HB1  ALA   2           1HB      ALA   2   3.655  12.753  -7.745
   11    HB2  ALA   2           2HB      ALA   2   3.890  11.406  -6.630
   12    HB3  ALA   2           3HB      ALA   2   2.502  11.417  -7.719
   13    H    THR   3           H        THR   3   2.540  11.286  -4.008
   14    HA   THR   3           HA       THR   3   3.963  13.252  -2.414
   15    HB   THR   3           HB       THR   3   3.703  10.770  -1.046
   16    HG1  THR   3           1HG      THR   3   1.129  11.210  -1.396
   17   HG21  THR   3          3HG2      THR   3   2.850  12.091   0.584
   18   HG22  THR   3          1HG2      THR   3   1.750  12.921  -0.517
   19   HG23  THR   3          2HG2      THR   3   3.450  13.388  -0.449
   20    H    THR   4           H        THR   4   6.066  13.213  -1.987
   21    HA   THR   4           HA       THR   4   7.786  11.239  -3.189
   22    HB   THR   4           HB       THR   4   8.626  13.380  -1.236
   23    HG1  THR   4           1HG      THR   4   8.628  14.848  -2.887
   24   HG21  THR   4          3HG2      THR   4  10.095  11.460  -2.460
   25   HG22  THR   4          1HG2      THR   4  10.730  13.028  -1.961
   26   HG23  THR   4          2HG2      THR   4  10.223  12.775  -3.631
   27    H    ILE   5           H        ILE   5   7.817   9.267  -2.214
   28    HA   ILE   5           HA       ILE   5   7.952   9.234   0.725
   29    HB   ILE   5           HB       ILE   5   6.695   7.366   0.843
   30   HG12  ILE   5          2HG1      ILE   5   7.281   6.289  -1.879
   31   HG13  ILE   5          1HG1      ILE   5   8.526   6.178  -0.639
   32   HG21  ILE   5          1HG2      ILE   5   5.973   8.622  -1.761
   33   HG22  ILE   5          2HG2      ILE   5   5.133   7.166  -1.226
   34   HG23  ILE   5          3HG2      ILE   5   5.102   8.621  -0.228
   35   HD11  ILE   5          3HD1      ILE   5   7.526   4.435   0.269
   36   HD12  ILE   5          1HD1      ILE   5   6.019   5.333   0.436
   37   HD13  ILE   5          2HD1      ILE   5   6.363   4.459  -1.056
   38    H    GLY   6           H        GLY   6   9.338   7.709   1.749
   39    HA2  GLY   6           1HA      GLY   6  11.398   6.403   0.203
   40    HA3  GLY   6           2HA      GLY   6  11.956   7.814   1.092
   41    HA   PRO   7           HA       PRO   7  12.272   4.392   4.079
   42    HB2  PRO   7           1HB      PRO   7  14.738   4.878   4.946
   43    HB3  PRO   7           2HB      PRO   7  14.465   4.195   3.337
   44    HG2  PRO   7           1HG      PRO   7  15.141   6.995   4.116
   45    HG3  PRO   7           2HG      PRO   7  15.709   6.047   2.731
   46    HD2  PRO   7           1HD      PRO   7  13.646   7.935   2.684
   47    HD3  PRO   7           2HD      PRO   7  13.953   6.702   1.446
   48    H    ASN   8           H        ASN   8  11.280   7.328   4.505
   49    HA   ASN   8           HA       ASN   8  11.327   7.096   7.395
   50    HB2  ASN   8           1HB      ASN   8  12.349   9.105   7.920
   51    HB3  ASN   8           2HB      ASN   8  13.306   8.570   6.548
   52   HD21  ASN   8          1HD2      ASN   8  12.247  11.219   7.853
   53   HD22  ASN   8          2HD2      ASN   8  11.871  12.178   6.463
   54    H    THR   9           H        THR   9   9.407   7.062   5.052
   55    HA   THR   9           HA       THR   9   7.648   9.296   5.731
   56    HB   THR   9           HB       THR   9   6.860   7.188   3.767
   57    HG1  THR   9           1HG      THR   9   8.707   9.280   3.179
   58   HG21  THR   9          3HG2      THR   9   6.649  10.199   3.750
   59   HG22  THR   9          1HG2      THR   9   5.379   9.098   4.280
   60   HG23  THR   9          2HG2      THR   9   5.905   9.092   2.596
   61    H    CYS  10           H        CYS  10   7.929   5.838   6.137
   62    HA   CYS  10           HA       CYS  10   5.658   5.933   7.992
   63    HB2  CYS  10           1HB      CYS  10   5.629   4.570   5.495
   64    HB3  CYS  10           2HB      CYS  10   5.724   3.348   6.758
   65    H    SER  11           H        SER  11   8.196   6.186   8.790
   66    HA   SER  11           HA       SER  11   9.485   3.675   9.292
   67    HB2  SER  11           1HB      SER  11  10.537   5.774  10.916
   68    HB3  SER  11           2HB      SER  11  11.244   5.042   9.476
   69    HG   SER  11           HG       SER  11  10.183   7.481   9.757
   70    H    ILE  12           H        ILE  12   7.238   3.071  10.362
   71    HA   ILE  12           HA       ILE  12   7.302   3.710  13.223
   72    HB   ILE  12           HB       ILE  12   5.229   1.998  11.848
   73   HG12  ILE  12          2HG1      ILE  12   5.028   4.982  12.314
   74   HG13  ILE  12          1HG1      ILE  12   5.463   4.275  10.762
   75   HG21  ILE  12          1HG2      ILE  12   4.099   3.484  13.912
   76   HG22  ILE  12          2HG2      ILE  12   4.531   1.775  13.954
   77   HG23  ILE  12          3HG2      ILE  12   5.674   2.990  14.531
   78   HD11  ILE  12          3HD1      ILE  12   2.854   4.063  12.229
   79   HD12  ILE  12          1HD1      ILE  12   3.172   4.774  10.647
   80   HD13  ILE  12          2HD1      ILE  12   3.273   3.026  10.863
   81    H    ASP  13           H        ASP  13   6.145   0.698  11.894
   82    HA   ASP  13           HA       ASP  13   8.286  -0.728  13.327
   83    HB2  ASP  13           1HB      ASP  13   5.830  -0.991  14.074
   84    HB3  ASP  13           2HB      ASP  13   5.612  -1.917  12.595
   85    H    ASP  14           H        ASP  14   7.134  -3.218  11.895
   86    HA   ASP  14           HA       ASP  14   8.672  -2.924   9.451
   87    HB2  ASP  14           1HB      ASP  14   8.576  -5.029  10.958
   88    HB3  ASP  14           2HB      ASP  14   7.035  -5.344  10.167
   89    H    TYR  15           H        TYR  15   6.054  -1.566  10.084
   90    HA   TYR  15           HA       TYR  15   4.237  -2.527   8.082
   91    HB2  TYR  15           1HB      TYR  15   4.285   0.000   9.742
   92    HB3  TYR  15           2HB      TYR  15   3.006  -0.391   8.597
   93    HD1  TYR  15           1HD      TYR  15   1.974  -2.827   8.945
   94    HD2  TYR  15           2HD      TYR  15   3.931  -0.553  11.961
   95    HE1  TYR  15           1HE      TYR  15   0.824  -4.143  10.672
   96    HE2  TYR  15           2HE      TYR  15   2.783  -1.865  13.700
   97    HH   TYR  15           HH       TYR  15   1.254  -4.772  13.101
   98    H    LYS  16           H        LYS  16   3.936  -1.708   6.049
   99    HA   LYS  16           HA       LYS  16   6.200  -0.093   5.093
  100    HB2  LYS  16           1HB      LYS  16   4.831  -2.461   4.078
  101    HB3  LYS  16           2HB      LYS  16   4.978  -1.196   2.864
  102    HG2  LYS  16           1HG      LYS  16   6.998  -2.048   2.474
  103    HG3  LYS  16           2HG      LYS  16   7.482  -1.242   3.967
  104    HD2  LYS  16           1HD      LYS  16   6.436  -3.526   4.960
  105    HD3  LYS  16           2HD      LYS  16   7.050  -4.107   3.412
  106    HE2  LYS  16           2HE      LYS  16   9.049  -4.260   4.378
  107    HE3  LYS  16           1HE      LYS  16   9.082  -2.498   4.401
  108    HZ1  LYS  16           3HZ      LYS  16   8.859  -2.469   6.602
  109    HZ2  LYS  16           1HZ      LYS  16   9.185  -4.134   6.585
  110    HZ3  LYS  16           2HZ      LYS  16   7.586  -3.584   6.581
  111    HA   PRO  17           HA       PRO  17   3.358   3.061   3.801
  112    HB2  PRO  17           1HB      PRO  17   4.792   4.225   1.815
  113    HB3  PRO  17           2HB      PRO  17   5.207   4.413   3.522
  114    HG2  PRO  17           1HG      PRO  17   6.429   2.643   1.454
  115    HG3  PRO  17           2HG      PRO  17   7.213   3.551   2.759
  116    HD2  PRO  17           1HD      PRO  17   6.668   0.858   2.856
  117    HD3  PRO  17           2HD      PRO  17   6.847   1.891   4.285
  118    H    TYR  18           H        TYR  18   1.619   2.145   2.916
  119    HA   TYR  18           HA       TYR  18   1.784   1.065   0.188
  120    HB2  TYR  18           1HB      TYR  18  -0.129   0.575   2.472
  121    HB3  TYR  18           2HB      TYR  18  -0.496   0.083   0.824
  122    HD1  TYR  18           2HD      TYR  18   1.470  -1.333  -0.327
  123    HD2  TYR  18           1HD      TYR  18   0.828  -0.969   3.860
  124    HE1  TYR  18           2HE      TYR  18   2.702  -3.433   0.039
  125    HE2  TYR  18           1HE      TYR  18   2.056  -3.061   4.236
  126    HH   TYR  18           HH       TYR  18   2.664  -5.084   3.022
  127    H    CYS  19           H        CYS  19   0.990   2.304  -1.387
  128    HA   CYS  19           HA       CYS  19  -0.707   4.566  -0.626
  129    HB2  CYS  19           1HB      CYS  19   0.845   4.068  -3.174
  130    HB3  CYS  19           2HB      CYS  19  -0.037   5.540  -2.777
  131    H    CYS  20           H        CYS  20  -2.765   3.985  -0.645
  132    HA   CYS  20           HA       CYS  20  -3.802   2.572  -3.010
  133    HB2  CYS  20           1HB      CYS  20  -5.387   2.041  -0.658
  134    HB3  CYS  20           2HB      CYS  20  -4.612   0.901  -1.752
  135    H    GLN  21           H        GLN  21  -6.284   2.703  -3.000
  136    HA   GLN  21           HA       GLN  21  -7.127   5.425  -2.264
  137    HB2  GLN  21           1HB      GLN  21  -8.880   3.988  -4.114
  138    HB3  GLN  21           2HB      GLN  21  -8.210   5.607  -4.238
  139    HG2  GLN  21           1HG      GLN  21  -6.311   3.406  -4.706
  140    HG3  GLN  21           2HG      GLN  21  -7.593   3.581  -5.904
  141   HE21  GLN  21          1HE2      GLN  21  -6.417   4.360  -7.573
  142   HE22  GLN  21          2HE2      GLN  21  -5.561   5.865  -7.536
  143    H    SER  22           H        SER  22  -9.177   5.658  -1.244
  144    HA   SER  22           HA       SER  22  -9.792   3.439   0.475
  145    HB2  SER  22           1HB      SER  22 -11.565   5.812   0.487
  146    HB3  SER  22           2HB      SER  22 -10.786   4.979   1.832
  147    HG   SER  22           HG       SER  22  -9.810   6.960   1.638
  148    H    MET  23           H        MET  23 -11.178   1.892   0.014
  149    HA   MET  23           HA       MET  23 -13.031   2.099  -2.179
  150    HB2  MET  23           1HB      MET  23 -11.919  -0.015  -0.505
  151    HB3  MET  23           2HB      MET  23 -13.636  -0.233  -0.805
  152    HG2  MET  23           1HG      MET  23 -12.727  -1.372  -2.566
  153    HG3  MET  23           2HG      MET  23 -12.986   0.217  -3.283
  154    HE1  MET  23           3HE      MET  23  -9.990   0.499  -5.119
  155    HE2  MET  23           1HE      MET  23 -10.616  -1.149  -5.161
  156    HE3  MET  23           2HE      MET  23 -11.730   0.213  -5.047
  157    H    SER  24           H        SER  24 -15.101   0.454  -1.030
  158    HA   SER  24           HA       SER  24 -16.739   2.497   0.113
  159    HB2  SER  24           1HB      SER  24 -17.936  -0.091   0.341
  160    HB3  SER  24           2HB      SER  24 -18.317   1.196  -0.806
  161    HG   SER  24           HG       SER  24 -17.263  -1.127  -1.364
  162    H    GLY  25           H        GLY  25 -15.168   2.760   1.968
  163    HA2  GLY  25           1HA      GLY  25 -15.001   2.733   4.262
  164    HA3  GLY  25           2HA      GLY  25 -16.329   1.583   4.304
  165    H    SER  26           H        SER  26 -15.862  -0.658   4.035
  166    HA   SER  26           HA       SER  26 -13.060  -1.366   4.575
  167    HB2  SER  26           1HB      SER  26 -14.958  -3.140   5.889
  168    HB3  SER  26           2HB      SER  26 -13.563  -2.297   6.565
  169    HG   SER  26           HG       SER  26 -15.197  -0.393   6.267
  170    H    ALA  27           H        ALA  27 -12.339  -2.732   3.104
  171    HA   ALA  27           HA       ALA  27 -13.765  -5.036   2.236
  172    HB1  ALA  27           1HB      ALA  27 -13.281  -3.053   0.034
  173    HB2  ALA  27           2HB      ALA  27 -14.293  -4.498   0.025
  174    HB3  ALA  27           3HB      ALA  27 -14.805  -3.069   0.923
  175    H    SER  28           H        SER  28 -12.479  -5.932   0.172
  176    HA   SER  28           HA       SER  28  -9.691  -5.952   0.847
  177    HB2  SER  28           1HB      SER  28 -10.354  -7.034  -1.778
  178    HB3  SER  28           2HB      SER  28  -9.679  -7.853  -0.367
  179    HG   SER  28           HG       SER  28 -11.870  -7.881   0.482
  180    H    LEU  29           H        LEU  29  -9.172  -3.741   0.644
  181    HA   LEU  29           HA       LEU  29  -9.781  -2.257  -1.710
  182    HB2  LEU  29           1HB      LEU  29  -8.303  -0.518  -0.657
  183    HB3  LEU  29           2HB      LEU  29  -9.681  -1.029   0.295
  184    HG   LEU  29           HG       LEU  29  -7.392  -2.626   0.987
  185   HD11  LEU  29          1HD1      LEU  29  -7.030   0.359   1.125
  186   HD12  LEU  29          2HD1      LEU  29  -6.054  -0.813   2.010
  187   HD13  LEU  29          3HD1      LEU  29  -6.025  -0.795   0.246
  188   HD21  LEU  29          3HD2      LEU  29  -7.884  -1.497   3.225
  189   HD22  LEU  29          1HD2      LEU  29  -9.224  -0.710   2.391
  190   HD23  LEU  29          2HD2      LEU  29  -9.171  -2.470   2.505
  191    H    GLY  30           H        GLY  30  -8.524  -1.638  -3.377
  192    HA2  GLY  30           1HA      GLY  30  -6.186  -3.262  -3.913
  193    HA3  GLY  30           2HA      GLY  30  -6.959  -2.139  -5.026
  194    H    CYS  31           H        CYS  31  -4.179  -2.674  -3.499
  195    HA   CYS  31           HA       CYS  31  -3.636   0.190  -3.099
  196    HB2  CYS  31           1HB      CYS  31  -3.826  -1.232  -0.999
  197    HB3  CYS  31           2HB      CYS  31  -2.358  -2.045  -1.534
  198    H    VAL  32           H        VAL  32  -1.393   0.818  -3.394
  199    HA   VAL  32           HA       VAL  32   0.194  -1.089  -4.985
  200    HB   VAL  32           HB       VAL  32   0.579   1.851  -5.366
  201   HG11  VAL  32          1HG1      VAL  32   0.845  -0.551  -7.172
  202   HG12  VAL  32          2HG1      VAL  32   1.214   1.113  -7.630
  203   HG13  VAL  32          3HG1      VAL  32   2.155   0.317  -6.369
  204   HG21  VAL  32          3HG2      VAL  32  -1.327   2.258  -6.445
  205   HG22  VAL  32          1HG2      VAL  32  -1.202   0.764  -7.372
  206   HG23  VAL  32          2HG2      VAL  32  -1.938   0.748  -5.771
  207    H    VAL  33           H        VAL  33   2.190  -1.465  -4.202
  208    HA   VAL  33           HA       VAL  33   2.985  -0.349  -1.728
  209    HB   VAL  33           HB       VAL  33   3.732  -2.559  -2.261
  210   HG11  VAL  33          1HG1      VAL  33   5.484  -2.867  -4.089
  211   HG12  VAL  33          2HG1      VAL  33   3.807  -2.666  -4.592
  212   HG13  VAL  33          3HG1      VAL  33   4.934  -1.313  -4.712
  213   HG21  VAL  33          3HG2      VAL  33   6.408  -1.654  -2.483
  214   HG22  VAL  33          1HG2      VAL  33   5.518  -0.483  -1.508
  215   HG23  VAL  33          2HG2      VAL  33   5.541  -2.184  -1.042
  216    H    GLY  34           H        GLY  34   4.045   1.477  -1.293
  217    HA2  GLY  34           1HA      GLY  34   4.489   3.395  -3.314
  218    HA3  GLY  34           2HA      GLY  34   4.999   3.533  -1.639
  219    H    VAL  35           H        VAL  35   6.712   1.357  -1.495
  220    HA   VAL  35           HA       VAL  35   8.829   0.639  -1.912
  221    HB   VAL  35           HB       VAL  35   8.744   2.092  -4.561
  222   HG11  VAL  35          1HG1      VAL  35  10.360   0.257  -5.190
  223   HG12  VAL  35          2HG1      VAL  35  10.961   1.464  -4.054
  224   HG13  VAL  35          3HG1      VAL  35  10.459  -0.123  -3.470
  225   HG21  VAL  35          3HG2      VAL  35   7.851  -0.714  -3.911
  226   HG22  VAL  35          1HG2      VAL  35   6.846   0.608  -4.506
  227   HG23  VAL  35          2HG2      VAL  35   8.092  -0.090  -5.542
  228    H    ILE  36           H        ILE  36  10.980   1.427  -1.730
  229    HA   ILE  36           HA       ILE  36  11.049   3.978  -0.440
  230    HB   ILE  36           HB       ILE  36  13.439   2.266  -1.101
  231   HG12  ILE  36          2HG1      ILE  36  11.679   0.892  -0.009
  232   HG13  ILE  36          1HG1      ILE  36  13.105   1.089   1.002
  233   HG21  ILE  36          1HG2      ILE  36  12.897   4.237   1.119
  234   HG22  ILE  36          2HG2      ILE  36  14.366   3.279   0.932
  235   HG23  ILE  36          3HG2      ILE  36  13.945   4.489  -0.278
  236   HD11  ILE  36          3HD1      ILE  36  11.897   2.903   2.213
  237   HD12  ILE  36          1HD1      ILE  36  10.456   2.479   1.288
  238   HD13  ILE  36          2HD1      ILE  36  11.182   1.300   2.382
  239    H    GLY  37           H        GLY  37  11.093   5.799  -1.586
  240    HA2  GLY  37           1HA      GLY  37  12.272   7.431  -2.785
  241    HA3  GLY  37           2HA      GLY  37  13.262   6.165  -3.496
  242    H    SER  38           H        SER  38   9.776   6.918  -3.407
  243    HA   SER  38           HA       SER  38   9.785   6.999  -6.327
  244    HB2  SER  38           1HB      SER  38   7.493   5.538  -5.169
  245    HB3  SER  38           2HB      SER  38   8.392   5.236  -6.653
  246    HG   SER  38           HG       SER  38   8.586   3.974  -4.341
  247    H    GLN  39           H        GLN  39   7.701   7.795  -7.207
  248    HA   GLN  39           HA       GLN  39   6.628   9.904  -5.470
  249    HB2  GLN  39           1HB      GLN  39   6.806   9.559  -8.453
  250    HB3  GLN  39           2HB      GLN  39   5.685  10.714  -7.745
  251    HG2  GLN  39           1HG      GLN  39   8.661  10.700  -7.286
  252    HG3  GLN  39           2HG      GLN  39   7.813  11.732  -8.439
  253   HE21  GLN  39          1HE2      GLN  39   9.275  11.867  -5.624
  254   HE22  GLN  39          2HE2      GLN  39   8.313  13.057  -4.797
  255    H    CYS  40           H        CYS  40   5.016   8.925  -4.332
  256    HA   CYS  40           HA       CYS  40   3.300   6.947  -5.500
  257    HB2  CYS  40           1HB      CYS  40   3.829   8.032  -2.858
  258    HB3  CYS  40           2HB      CYS  40   2.106   7.789  -3.132
  259    H    GLY  41           H        GLY  41   1.662   7.368  -6.791
  260    HA2  GLY  41           1HA      GLY  41   0.438  10.025  -6.757
  261    HA3  GLY  41           2HA      GLY  41   0.201   8.784  -7.980
  262    H    ALA  42           H        ALA  42  -0.089   8.382  -4.494
  263    HA   ALA  42           HA       ALA  42  -2.968   8.352  -4.562
  264    HB1  ALA  42           1HB      ALA  42  -1.555   5.771  -3.908
  265    HB2  ALA  42           2HB      ALA  42  -3.292   6.051  -4.013
  266    HB3  ALA  42           3HB      ALA  42  -2.301   6.110  -5.470
  267    H    SER  43           H        SER  43  -3.704   7.350  -2.294
  268    HA   SER  43           HA       SER  43  -2.515   9.072  -0.348
  269    HB2  SER  43           1HB      SER  43  -4.345   7.129   0.758
  270    HB3  SER  43           2HB      SER  43  -4.539   8.875   0.590
  271    HG   SER  43           HG       SER  43  -5.342   6.804  -1.121
  272    H    VAL  44           H        VAL  44  -0.903   8.605   1.013
  273    HA   VAL  44           HA       VAL  44   0.250   5.955   1.000
  274    HB   VAL  44           HB       VAL  44   1.195   8.264   2.688
  275   HG11  VAL  44          1HG1      VAL  44   2.262   6.164   3.169
  276   HG12  VAL  44          2HG1      VAL  44   2.571   5.881   1.456
  277   HG13  VAL  44          3HG1      VAL  44   3.398   7.193   2.298
  278   HG21  VAL  44          3HG2      VAL  44   1.870   9.437   0.926
  279   HG22  VAL  44          1HG2      VAL  44   2.611   8.015   0.191
  280   HG23  VAL  44          2HG2      VAL  44   0.904   8.361  -0.084
  281    H    LYS  45           H        LYS  45  -0.522   4.437   2.284
  282    HA   LYS  45           HA       LYS  45  -1.396   5.159   5.005
  283    HB2  LYS  45           1HB      LYS  45  -2.037   2.656   3.427
  284    HB3  LYS  45           2HB      LYS  45  -2.692   3.097   4.997
  285    HG2  LYS  45           1HG      LYS  45  -3.221   5.221   3.188
  286    HG3  LYS  45           2HG      LYS  45  -3.702   3.702   2.426
  287    HD2  LYS  45           1HD      LYS  45  -5.568   4.605   3.665
  288    HD3  LYS  45           2HD      LYS  45  -4.995   3.140   4.465
  289    HE2  LYS  45           2HE      LYS  45  -3.964   4.359   6.190
  290    HE3  LYS  45           1HE      LYS  45  -4.047   5.868   5.282
  291    HZ1  LYS  45           3HZ      LYS  45  -6.038   6.300   6.111
  292    HZ2  LYS  45           1HZ      LYS  45  -5.828   4.993   7.178
  293    HZ3  LYS  45           2HZ      LYS  45  -6.640   4.768   5.704
  294    H    CYS  46           H        CYS  46  -1.122   3.057   6.477
  295    HA   CYS  46           HA       CYS  46   1.540   1.919   5.992
  296    HB2  CYS  46           1HB      CYS  46   1.013   3.867   7.922
  297    HB3  CYS  46           2HB      CYS  46   1.042   2.352   8.820
  298    H    CYS  47           H        CYS  47   0.833  -0.081   5.485
  299    HA   CYS  47           HA       CYS  47  -0.682  -1.503   7.573
  300    HB2  CYS  47           1HB      CYS  47  -0.870  -2.359   4.708
  301    HB3  CYS  47           2HB      CYS  47  -2.023  -2.588   6.015
  302    H    LYS  48           H        LYS  48  -0.443  -4.046   6.962
  303    HA   LYS  48           HA       LYS  48   2.443  -4.492   6.555
  304    HB2  LYS  48           1HB      LYS  48   0.937  -5.081   8.804
  305    HB3  LYS  48           2HB      LYS  48   1.024  -6.621   7.960
  306    HG2  LYS  48           1HG      LYS  48   3.483  -4.989   8.457
  307    HG3  LYS  48           2HG      LYS  48   2.828  -6.063   9.694
  308    HD2  LYS  48           1HD      LYS  48   3.499  -7.915   8.614
  309    HD3  LYS  48           2HD      LYS  48   3.094  -7.260   7.026
  310    HE2  LYS  48           2HE      LYS  48   5.259  -6.913   6.663
  311    HE3  LYS  48           1HE      LYS  48   5.265  -5.745   7.985
  312    HZ1  LYS  48           3HZ      LYS  48   6.930  -7.343   8.441
  313    HZ2  LYS  48           1HZ      LYS  48   5.881  -8.640   8.125
  314    HZ3  LYS  48           2HZ      LYS  48   5.648  -7.674   9.503
  315    H    ASP  49           H        ASP  49  -0.654  -6.218   6.434
  316    HA   ASP  49           HA       ASP  49  -1.359  -8.004   5.251
  317    HB2  ASP  49           1HB      ASP  49  -1.081  -6.055   3.475
  318    HB3  ASP  49           2HB      ASP  49   0.169  -7.120   2.835
  319    H    ASP  50           H        ASP  50   0.411  -8.967   2.859
  320    HA   ASP  50           HA       ASP  50   2.819  -9.856   4.162
  321    HB2  ASP  50           1HB      ASP  50   0.926 -11.452   4.904
  322    HB3  ASP  50           2HB      ASP  50   0.985 -12.063   3.253
  323    H    VAL  51           H        VAL  51   3.959  -8.997   2.504
  324    HA   VAL  51           HA       VAL  51   3.392  -9.612  -0.240
  325    HB   VAL  51           HB       VAL  51   6.068  -8.595   0.654
  326   HG11  VAL  51          1HG1      VAL  51   4.355  -7.757  -1.674
  327   HG12  VAL  51          2HG1      VAL  51   6.079  -7.471  -1.431
  328   HG13  VAL  51          3HG1      VAL  51   5.491  -9.103  -1.750
  329   HG21  VAL  51          3HG2      VAL  51   5.150  -6.880   1.741
  330   HG22  VAL  51          1HG2      VAL  51   4.514  -6.335   0.189
  331   HG23  VAL  51          2HG2      VAL  51   3.525  -7.349   1.241
  332    H    THR  52           H        THR  52   3.342 -11.999   0.471
  333    HA   THR  52           HA       THR  52   5.908 -13.312   0.615
  334    HB   THR  52           HB       THR  52   3.820 -15.139  -0.044
  335    HG1  THR  52           1HG      THR  52   2.962 -13.858   2.263
  336   HG21  THR  52          3HG2      THR  52   4.183 -15.848   2.336
  337   HG22  THR  52          1HG2      THR  52   5.271 -14.472   2.517
  338   HG23  THR  52          2HG2      THR  52   5.653 -15.754   1.367
  339    H    ASN  53           H        ASN  53   3.483 -12.607  -1.786
  340    HA   ASN  53           HA       ASN  53   5.284 -13.175  -3.943
  341    HB2  ASN  53           1HB      ASN  53   4.631 -15.406  -3.914
  342    HB3  ASN  53           2HB      ASN  53   3.017 -15.035  -3.316
  343   HD21  ASN  53          1HD2      ASN  53   5.066 -15.236  -6.113
  344   HD22  ASN  53          2HD2      ASN  53   3.804 -15.137  -7.296
  345    H    THR  54           H        THR  54   2.048 -12.417  -2.830
  346    HA   THR  54           HA       THR  54   1.205 -11.239  -5.287
  347    HB   THR  54           HB       THR  54  -0.375 -10.314  -3.110
  348    HG1  THR  54           1HG      THR  54  -0.826 -12.662  -2.404
  349   HG21  THR  54          3HG2      THR  54  -0.831 -12.590  -5.049
  350   HG22  THR  54          1HG2      THR  54  -1.193 -10.890  -5.356
  351   HG23  THR  54          2HG2      THR  54  -2.073 -11.769  -4.106
  352    H    GLY  55           H        GLY  55   1.585  -9.246  -5.970
  353    HA2  GLY  55           1HA      GLY  55   1.470  -6.838  -4.917
  354    HA3  GLY  55           2HA      GLY  55   2.978  -7.393  -4.199
  355    H    ASN  56           H        ASN  56   1.341  -6.982  -7.306
  356    HA   ASN  56           HA       ASN  56   3.987  -6.532  -8.522
  357    HB2  ASN  56           1HB      ASN  56   2.479  -8.574  -9.224
  358    HB3  ASN  56           2HB      ASN  56   1.621  -7.355 -10.160
  359   HD21  ASN  56          1HD2      ASN  56   5.057  -7.850  -9.453
  360   HD22  ASN  56          2HD2      ASN  56   5.566  -7.895 -11.108
  361    H    SER  57           H        SER  57   1.102  -5.974 -10.344
  362    HA   SER  57           HA       SER  57   1.650  -3.152 -10.507
  363    HB2  SER  57           1HB      SER  57  -0.930  -3.965 -11.570
  364    HB3  SER  57           2HB      SER  57   0.469  -3.301 -12.415
  365    HG   SER  57           HG       SER  57   0.427  -5.265 -13.243
  366    H    PHE  58           H        PHE  58  -0.536  -5.269  -8.843
  367    HA   PHE  58           HA       PHE  58  -1.512  -3.036  -7.240
  368    HB2  PHE  58           1HB      PHE  58  -3.072  -4.223  -9.246
  369    HB3  PHE  58           2HB      PHE  58  -3.634  -4.955  -7.749
  370    HD1  PHE  58           1HD      PHE  58  -2.309  -1.526  -7.918
  371    HD2  PHE  58           2HD      PHE  58  -5.794  -3.964  -7.804
  372    HE1  PHE  58           1HE      PHE  58  -3.681   0.461  -7.463
  373    HE2  PHE  58           2HE      PHE  58  -7.173  -1.983  -7.351
  374    HZ   PHE  58           HZ       PHE  58  -6.117   0.236  -7.178
  375    H    LEU  59           H        LEU  59  -2.073  -3.626  -5.150
  376    HA   LEU  59           HA       LEU  59  -1.782  -6.463  -4.429
  377    HB2  LEU  59           1HB      LEU  59  -0.012  -4.448  -3.711
  378    HB3  LEU  59           2HB      LEU  59  -1.058  -4.593  -2.312
  379    HG   LEU  59           HG       LEU  59   0.610  -6.784  -3.546
  380   HD11  LEU  59          1HD1      LEU  59   1.735  -5.023  -2.124
  381   HD12  LEU  59          2HD1      LEU  59   0.781  -5.635  -0.773
  382   HD13  LEU  59          3HD1      LEU  59   1.927  -6.694  -1.595
  383   HD21  LEU  59          3HD2      LEU  59  -0.176  -8.105  -1.556
  384   HD22  LEU  59          1HD2      LEU  59  -1.419  -6.875  -1.325
  385   HD23  LEU  59          2HD2      LEU  59  -1.385  -7.826  -2.811
  386    H    ILE  60           H        ILE  60  -3.778  -7.075  -3.893
  387    HA   ILE  60           HA       ILE  60  -5.656  -5.214  -2.734
  388    HB   ILE  60           HB       ILE  60  -5.777  -8.065  -3.629
  389   HG12  ILE  60          2HG1      ILE  60  -8.040  -6.889  -4.478
  390   HG13  ILE  60          1HG1      ILE  60  -7.034  -5.458  -4.284
  391   HG21  ILE  60          1HG2      ILE  60  -8.317  -7.438  -2.584
  392   HG22  ILE  60          2HG2      ILE  60  -7.219  -8.720  -2.074
  393   HG23  ILE  60          3HG2      ILE  60  -7.147  -7.136  -1.300
  394   HD11  ILE  60          3HD1      ILE  60  -5.418  -7.250  -5.641
  395   HD12  ILE  60          1HD1      ILE  60  -7.016  -7.465  -6.356
  396   HD13  ILE  60          2HD1      ILE  60  -6.272  -5.865  -6.320
  397    H    ILE  61           H        ILE  61  -5.607  -4.693  -0.681
  398    HA   ILE  61           HA       ILE  61  -4.122  -6.276   1.226
  399    HB   ILE  61           HB       ILE  61  -5.640  -3.676   1.507
  400   HG12  ILE  61          2HG1      ILE  61  -2.671  -4.260   1.587
  401   HG13  ILE  61          1HG1      ILE  61  -3.531  -3.642   0.180
  402   HG21  ILE  61          1HG2      ILE  61  -5.169  -5.406   3.570
  403   HG22  ILE  61          2HG2      ILE  61  -3.746  -4.365   3.625
  404   HG23  ILE  61          3HG2      ILE  61  -5.360  -3.659   3.730
  405   HD11  ILE  61          3HD1      ILE  61  -2.251  -2.024   1.758
  406   HD12  ILE  61          1HD1      ILE  61  -3.824  -1.563   1.103
  407   HD13  ILE  61          2HD1      ILE  61  -3.697  -2.162   2.759
  408    H    ASN  62           H        ASN  62  -4.918  -7.578   2.768
  409    HA   ASN  62           HA       ASN  62  -7.666  -8.401   2.532
  410    HB2  ASN  62           1HB      ASN  62  -5.465  -9.782   3.101
  411    HB3  ASN  62           2HB      ASN  62  -5.958  -9.411   4.751
  412   HD21  ASN  62          1HD2      ASN  62  -6.274 -11.663   5.052
  413   HD22  ASN  62          2HD2      ASN  62  -7.714 -12.437   4.471
  414    H    ALA  63           H        ALA  63  -7.381  -5.734   3.454
  415    HA   ALA  63           HA       ALA  63  -8.456  -4.308   4.827
  416    HB1  ALA  63           1HB      ALA  63 -10.502  -5.232   4.689
  417    HB2  ALA  63           2HB      ALA  63  -9.944  -6.824   5.199
  418    HB3  ALA  63           3HB      ALA  63 -10.216  -5.562   6.399
  419    H    ALA  64           H        ALA  64  -8.460  -7.023   7.127
  420    HA   ALA  64           HA       ALA  64  -7.866  -5.131   9.216
  421    HB1  ALA  64           1HB      ALA  64  -9.542  -6.614   9.803
  422    HB2  ALA  64           2HB      ALA  64  -8.679  -8.005   9.147
  423    HB3  ALA  64           3HB      ALA  64  -8.135  -7.255  10.649
  424    H    ASN  65           H        ASN  65  -5.625  -5.309   7.645
  425    HA   ASN  65           HA       ASN  65  -3.770  -6.285   9.696
  426    HB2  ASN  65           1HB      ASN  65  -2.149  -6.988   8.009
  427    HB3  ASN  65           2HB      ASN  65  -3.653  -7.882   7.833
  428   HD21  ASN  65          1HD2      ASN  65  -4.201  -8.186   5.829
  429   HD22  ASN  65          2HD2      ASN  65  -3.868  -7.127   4.496
  430    H    CYS  66           H        CYS  66  -4.939  -3.804   7.832
  431    HA   CYS  66           HA       CYS  66  -2.557  -2.158   8.053
  432    HB2  CYS  66           1HB      CYS  66  -4.359  -2.050   6.175
  433    HB3  CYS  66           2HB      CYS  66  -5.294  -1.128   7.348
  434    H    VAL  67           H        VAL  67  -2.227  -0.611   9.609
  435    HA   VAL  67           HA       VAL  67  -3.721  -1.029  12.036
  436    HB   VAL  67           HB       VAL  67  -1.854   1.176  12.208
  437   HG11  VAL  67          1HG1      VAL  67  -2.438   0.091  14.187
  438   HG12  VAL  67          2HG1      VAL  67  -2.194  -1.512  13.491
  439   HG13  VAL  67          3HG1      VAL  67  -0.806  -0.490  13.856
  440   HG21  VAL  67          3HG2      VAL  67   0.107  -0.621  11.928
  441   HG22  VAL  67          1HG2      VAL  67  -0.999  -1.218  10.691
  442   HG23  VAL  67          2HG2      VAL  67  -0.410   0.443  10.620
  443    H    ALA  68           H        ALA  68  -3.137   1.727   9.858
  444    HA   ALA  68           HA       ALA  68  -5.621   2.922  10.741
  445    HB1  ALA  68           1HB      ALA  68  -2.938   4.071  11.382
  446    HB2  ALA  68           2HB      ALA  68  -4.297   5.150  11.058
  447    HB3  ALA  68           3HB      ALA  68  -4.391   3.986  12.380
  Start of MODEL    7
    1    H1   SER   1           1H       SER   1  -2.212  14.291  -3.531
    2    H2   SER   1           2H       SER   1  -3.132  15.550  -4.200
    3    H3   SER   1           3H       SER   1  -1.630  15.882  -3.496
    4    HA   SER   1           HA       SER   1  -2.255  14.741  -6.100
    5    HB2  SER   1           1HB      SER   1   0.243  16.063  -5.989
    6    HB3  SER   1           2HB      SER   1  -1.270  16.686  -6.653
    7    HG   SER   1           HG       SER   1  -0.877  18.123  -5.105
    8    H    ALA   2           H        ALA   2   0.364  14.364  -7.004
    9    HA   ALA   2           HA       ALA   2   0.868  11.733  -5.952
   10    HB1  ALA   2           1HB      ALA   2   2.041  13.367  -8.173
   11    HB2  ALA   2           2HB      ALA   2   2.797  11.860  -7.659
   12    HB3  ALA   2           3HB      ALA   2   1.139  11.854  -8.262
   13    H    THR   3           H        THR   3   1.855  11.573  -4.050
   14    HA   THR   3           HA       THR   3   3.851  13.569  -3.293
   15    HB   THR   3           HB       THR   3   3.136  11.458  -1.361
   16    HG1  THR   3           1HG      THR   3   1.197  12.680  -2.777
   17   HG21  THR   3          3HG2      THR   3   2.706  14.320  -0.788
   18   HG22  THR   3          1HG2      THR   3   4.359  13.864  -1.202
   19   HG23  THR   3          2HG2      THR   3   3.547  13.088   0.156
   20    H    THR   4           H        THR   4   5.950  13.079  -2.777
   21    HA   THR   4           HA       THR   4   6.927  10.503  -3.759
   22    HB   THR   4           HB       THR   4   8.863  12.533  -2.835
   23    HG1  THR   4           1HG      THR   4   7.154  12.967  -5.090
   24   HG21  THR   4          3HG2      THR   4   9.057  10.272  -4.272
   25   HG22  THR   4          1HG2      THR   4  10.186  11.616  -4.442
   26   HG23  THR   4          2HG2      THR   4   8.856  11.433  -5.586
   27    H    ILE   5           H        ILE   5   7.494   8.939  -2.394
   28    HA   ILE   5           HA       ILE   5   7.733   9.594   0.443
   29    HB   ILE   5           HB       ILE   5   7.075   7.496   0.978
   30   HG12  ILE   5          2HG1      ILE   5   7.612   5.815  -1.285
   31   HG13  ILE   5          1HG1      ILE   5   9.080   6.688  -0.855
   32   HG21  ILE   5          1HG2      ILE   5   6.106   7.369  -1.860
   33   HG22  ILE   5          2HG2      ILE   5   5.330   6.738  -0.408
   34   HG23  ILE   5          3HG2      ILE   5   5.436   8.479  -0.665
   35   HD11  ILE   5          3HD1      ILE   5   8.633   4.409   0.230
   36   HD12  ILE   5          1HD1      ILE   5   9.169   5.740   1.256
   37   HD13  ILE   5          2HD1      ILE   5   7.467   5.280   1.230
   38    H    GLY   6           H        GLY   6   9.537   9.111   1.682
   39    HA2  GLY   6           1HA      GLY   6  11.990   8.758   0.079
   40    HA3  GLY   6           2HA      GLY   6  11.897   9.679   1.570
   41    HA   PRO   7           HA       PRO   7  13.658   5.827   3.023
   42    HB2  PRO   7           1HB      PRO   7  14.679   6.777   5.315
   43    HB3  PRO   7           2HB      PRO   7  15.402   7.148   3.746
   44    HG2  PRO   7           1HG      PRO   7  13.629   8.828   5.463
   45    HG3  PRO   7           2HG      PRO   7  15.049   9.301   4.514
   46    HD2  PRO   7           1HD      PRO   7  12.436   9.658   3.706
   47    HD3  PRO   7           2HD      PRO   7  13.825   9.562   2.607
   48    H    ASN   8           H        ASN   8  11.255   5.275   3.207
   49    HA   ASN   8           HA       ASN   8   9.705   4.091   4.352
   50    HB2  ASN   8           1HB      ASN   8  11.676   3.172   5.626
   51    HB3  ASN   8           2HB      ASN   8  11.395   4.417   6.839
   52   HD21  ASN   8          1HD2      ASN   8  11.354   1.929   7.718
   53   HD22  ASN   8          2HD2      ASN   8   9.744   1.391   8.048
   54    H    THR   9           H        THR   9   7.948   5.271   4.352
   55    HA   THR   9           HA       THR   9   7.693   7.629   6.021
   56    HB   THR   9           HB       THR   9   5.461   6.541   4.360
   57    HG1  THR   9           1HG      THR   9   7.691   7.959   3.274
   58   HG21  THR   9          3HG2      THR   9   4.645   8.595   4.661
   59   HG22  THR   9          1HG2      THR   9   6.108   9.313   3.986
   60   HG23  THR   9          2HG2      THR   9   6.017   8.949   5.709
   61    H    CYS  10           H        CYS  10   7.309   4.402   6.539
   62    HA   CYS  10           HA       CYS  10   4.860   4.684   8.127
   63    HB2  CYS  10           1HB      CYS  10   6.211   2.398   6.777
   64    HB3  CYS  10           2HB      CYS  10   5.270   2.061   8.228
   65    H    SER  11           H        SER  11   6.801   5.965   9.322
   66    HA   SER  11           HA       SER  11   8.391   4.379  11.089
   67    HB2  SER  11           1HB      SER  11   8.018   7.091  11.989
   68    HB3  SER  11           2HB      SER  11   9.459   6.342  11.295
   69    HG   SER  11           HG       SER  11   8.814   8.017   9.948
   70    H    ILE  12           H        ILE  12   6.018   3.321  11.464
   71    HA   ILE  12           HA       ILE  12   4.877   4.492  13.922
   72    HB   ILE  12           HB       ILE  12   3.593   2.309  12.297
   73   HG12  ILE  12          2HG1      ILE  12   4.017   4.222  10.788
   74   HG13  ILE  12          1HG1      ILE  12   2.299   3.971  11.081
   75   HG21  ILE  12          1HG2      ILE  12   1.697   2.697  13.510
   76   HG22  ILE  12          2HG2      ILE  12   2.927   3.100  14.709
   77   HG23  ILE  12          3HG2      ILE  12   2.105   4.382  13.820
   78   HD11  ILE  12          3HD1      ILE  12   2.490   6.252  11.233
   79   HD12  ILE  12          1HD1      ILE  12   2.628   5.770  12.925
   80   HD13  ILE  12          2HD1      ILE  12   4.076   6.178  12.001
   81    H    ASP  13           H        ASP  13   6.212   1.637  12.440
   82    HA   ASP  13           HA       ASP  13   7.222   0.390  14.685
   83    HB2  ASP  13           1HB      ASP  13   4.601   0.238  15.073
   84    HB3  ASP  13           2HB      ASP  13   4.718  -1.082  13.915
   85    H    ASP  14           H        ASP  14   6.447  -2.361  13.782
   86    HA   ASP  14           HA       ASP  14   8.054  -2.480  11.380
   87    HB2  ASP  14           1HB      ASP  14   8.264  -4.287  13.016
   88    HB3  ASP  14           2HB      ASP  14   6.555  -4.670  12.838
   89    H    TYR  15           H        TYR  15   6.484  -0.991  10.335
   90    HA   TYR  15           HA       TYR  15   4.346  -2.534   9.030
   91    HB2  TYR  15           1HB      TYR  15   4.363   0.286  10.060
   92    HB3  TYR  15           2HB      TYR  15   3.356  -0.128   8.676
   93    HD1  TYR  15           1HD      TYR  15   1.563  -1.850   8.933
   94    HD2  TYR  15           2HD      TYR  15   3.730  -0.332  12.265
   95    HE1  TYR  15           1HE      TYR  15  -0.182  -2.688  10.447
   96    HE2  TYR  15           2HE      TYR  15   1.989  -1.163  13.784
   97    HH   TYR  15           HH       TYR  15  -0.964  -1.908  12.967
   98    H    LYS  16           H        LYS  16   4.257  -2.429   6.829
   99    HA   LYS  16           HA       LYS  16   6.566  -1.141   5.573
  100    HB2  LYS  16           1HB      LYS  16   4.837  -3.482   4.856
  101    HB3  LYS  16           2HB      LYS  16   5.725  -2.640   3.591
  102    HG2  LYS  16           1HG      LYS  16   7.486  -3.887   4.082
  103    HG3  LYS  16           2HG      LYS  16   7.575  -3.077   5.646
  104    HD2  LYS  16           1HD      LYS  16   5.597  -5.255   5.432
  105    HD3  LYS  16           2HD      LYS  16   7.288  -5.747   5.345
  106    HE2  LYS  16           2HE      LYS  16   6.785  -3.818   7.467
  107    HE3  LYS  16           1HE      LYS  16   5.829  -5.286   7.649
  108    HZ1  LYS  16           3HZ      LYS  16   7.814  -6.604   7.619
  109    HZ2  LYS  16           1HZ      LYS  16   8.027  -5.364   8.763
  110    HZ3  LYS  16           2HZ      LYS  16   8.772  -5.256   7.243
  111    HA   PRO  17           HA       PRO  17   3.868   1.904   3.890
  112    HB2  PRO  17           1HB      PRO  17   5.876   2.615   1.935
  113    HB3  PRO  17           2HB      PRO  17   5.434   3.461   3.417
  114    HG2  PRO  17           1HG      PRO  17   7.836   2.212   3.048
  115    HG3  PRO  17           2HG      PRO  17   7.087   2.464   4.634
  116    HD2  PRO  17           1HD      PRO  17   7.132   0.002   2.929
  117    HD3  PRO  17           2HD      PRO  17   7.316   0.159   4.691
  118    H    TYR  18           H        TYR  18   2.200   1.427   2.634
  119    HA   TYR  18           HA       TYR  18   2.739   0.552  -0.120
  120    HB2  TYR  18           1HB      TYR  18   0.667  -0.508   1.804
  121    HB3  TYR  18           2HB      TYR  18   0.540  -0.730   0.064
  122    HD1  TYR  18           2HD      TYR  18   2.495  -1.928  -1.106
  123    HD2  TYR  18           1HD      TYR  18   1.885  -2.012   3.105
  124    HE1  TYR  18           2HE      TYR  18   3.899  -3.939  -0.945
  125    HE2  TYR  18           1HE      TYR  18   3.285  -4.024   3.272
  126    HH   TYR  18           HH       TYR  18   3.990  -5.892   1.789
  127    H    CYS  19           H        CYS  19   1.490   1.499  -1.677
  128    HA   CYS  19           HA       CYS  19   0.000   3.856  -0.816
  129    HB2  CYS  19           1HB      CYS  19   0.673   3.048  -3.647
  130    HB3  CYS  19           2HB      CYS  19   0.233   4.648  -3.060
  131    H    CYS  20           H        CYS  20  -2.015   3.303  -0.227
  132    HA   CYS  20           HA       CYS  20  -3.454   1.264  -1.705
  133    HB2  CYS  20           1HB      CYS  20  -3.758   2.599   0.924
  134    HB3  CYS  20           2HB      CYS  20  -5.243   2.096   0.127
  135    H    GLN  21           H        GLN  21  -4.747   1.727  -3.337
  136    HA   GLN  21           HA       GLN  21  -5.793   4.431  -3.641
  137    HB2  GLN  21           1HB      GLN  21  -5.823   1.995  -5.418
  138    HB3  GLN  21           2HB      GLN  21  -6.759   3.437  -5.788
  139    HG2  GLN  21           1HG      GLN  21  -4.410   4.603  -5.451
  140    HG3  GLN  21           2HG      GLN  21  -3.827   2.995  -5.872
  141   HE21  GLN  21          1HE2      GLN  21  -3.085   4.845  -7.559
  142   HE22  GLN  21          2HE2      GLN  21  -4.021   4.831  -9.012
  143    H    SER  22           H        SER  22  -7.619   4.929  -2.695
  144    HA   SER  22           HA       SER  22  -9.348   2.885  -1.634
  145    HB2  SER  22           1HB      SER  22  -9.628   5.900  -1.624
  146    HB3  SER  22           2HB      SER  22 -10.603   4.776  -0.678
  147    HG   SER  22           HG       SER  22  -7.926   5.548  -0.347
  148    H    MET  23           H        MET  23 -10.927   1.969  -2.736
  149    HA   MET  23           HA       MET  23 -11.635   2.961  -5.340
  150    HB2  MET  23           1HB      MET  23 -11.740   0.445  -3.958
  151    HB3  MET  23           2HB      MET  23 -13.320   0.801  -4.644
  152    HG2  MET  23           1HG      MET  23 -11.921  -0.512  -6.154
  153    HG3  MET  23           2HG      MET  23 -12.354   1.052  -6.839
  154    HE1  MET  23           3HE      MET  23  -9.636  -1.410  -6.014
  155    HE2  MET  23           1HE      MET  23  -8.192  -0.450  -5.689
  156    HE3  MET  23           2HE      MET  23  -9.505  -0.496  -4.512
  157    H    SER  24           H        SER  24 -12.493   4.965  -4.278
  158    HA   SER  24           HA       SER  24 -14.201   6.340  -3.695
  159    HB2  SER  24           1HB      SER  24 -16.130   4.624  -5.174
  160    HB3  SER  24           2HB      SER  24 -15.838   6.358  -5.297
  161    HG   SER  24           HG       SER  24 -15.112   5.092  -7.135
  162    H    GLY  25           H        GLY  25 -16.778   4.098  -3.958
  163    HA2  GLY  25           1HA      GLY  25 -16.888   3.878  -1.017
  164    HA3  GLY  25           2HA      GLY  25 -18.291   4.361  -1.960
  165    H    SER  26           H        SER  26 -16.063   1.918  -3.106
  166    HA   SER  26           HA       SER  26 -18.201  -0.044  -3.045
  167    HB2  SER  26           1HB      SER  26 -15.472  -0.839  -3.903
  168    HB3  SER  26           2HB      SER  26 -17.031  -1.163  -4.659
  169    HG   SER  26           HG       SER  26 -15.718   0.304  -5.870
  170    H    ALA  27           H        ALA  27 -15.991   0.998  -0.865
  171    HA   ALA  27           HA       ALA  27 -15.170   0.221   1.099
  172    HB1  ALA  27           1HB      ALA  27 -16.402  -2.245   1.547
  173    HB2  ALA  27           2HB      ALA  27 -16.895  -0.673   2.173
  174    HB3  ALA  27           3HB      ALA  27 -17.589  -1.281   0.671
  175    H    SER  28           H        SER  28 -13.879  -0.448  -1.357
  176    HA   SER  28           HA       SER  28 -12.313  -2.737  -0.408
  177    HB2  SER  28           1HB      SER  28 -12.399  -2.566  -3.324
  178    HB3  SER  28           2HB      SER  28 -12.633  -3.965  -2.277
  179    HG   SER  28           HG       SER  28 -14.795  -2.826  -1.876
  180    H    LEU  29           H        LEU  29 -10.077  -2.698  -1.214
  181    HA   LEU  29           HA       LEU  29  -9.162  -0.296  -2.512
  182    HB2  LEU  29           1HB      LEU  29  -7.724   0.463  -0.710
  183    HB3  LEU  29           2HB      LEU  29  -9.405   0.491  -0.216
  184    HG   LEU  29           HG       LEU  29  -7.781  -1.905   0.502
  185   HD11  LEU  29          1HD1      LEU  29  -7.325  -0.487   2.678
  186   HD12  LEU  29          2HD1      LEU  29  -6.209  -0.467   1.314
  187   HD13  LEU  29          3HD1      LEU  29  -7.360   0.850   1.527
  188   HD21  LEU  29          3HD2      LEU  29  -9.281  -2.106   2.260
  189   HD22  LEU  29          1HD2      LEU  29  -9.716  -0.397   2.216
  190   HD23  LEU  29          2HD2      LEU  29 -10.287  -1.485   0.952
  191    H    GLY  30           H        GLY  30  -6.790  -0.313  -2.812
  192    HA2  GLY  30           1HA      GLY  30  -5.580  -2.971  -2.571
  193    HA3  GLY  30           2HA      GLY  30  -5.691  -2.242  -4.170
  194    H    CYS  31           H        CYS  31  -3.356  -2.921  -2.380
  195    HA   CYS  31           HA       CYS  31  -2.231  -0.210  -2.145
  196    HB2  CYS  31           1HB      CYS  31  -2.558  -2.255  -0.152
  197    HB3  CYS  31           2HB      CYS  31  -0.844  -1.949  -0.402
  198    H    VAL  32           H        VAL  32  -0.730   0.068  -3.639
  199    HA   VAL  32           HA       VAL  32   0.858  -2.190  -4.583
  200    HB   VAL  32           HB       VAL  32   1.925  -0.030  -5.863
  201   HG11  VAL  32          1HG1      VAL  32  -0.312  -1.893  -6.544
  202   HG12  VAL  32          2HG1      VAL  32   0.190  -0.650  -7.692
  203   HG13  VAL  32          3HG1      VAL  32   1.347  -1.864  -7.144
  204   HG21  VAL  32          3HG2      VAL  32  -0.234   1.106  -4.628
  205   HG22  VAL  32          1HG2      VAL  32   0.543   1.719  -6.086
  206   HG23  VAL  32          2HG2      VAL  32  -0.886   0.694  -6.214
  207    H    VAL  33           H        VAL  33   3.229  -2.038  -4.617
  208    HA   VAL  33           HA       VAL  33   4.119  -1.546  -1.986
  209    HB   VAL  33           HB       VAL  33   5.085  -3.303  -3.419
  210   HG11  VAL  33          1HG1      VAL  33   5.806  -1.002  -5.092
  211   HG12  VAL  33          2HG1      VAL  33   7.088  -2.192  -4.865
  212   HG13  VAL  33          3HG1      VAL  33   5.532  -2.689  -5.530
  213   HG21  VAL  33          3HG2      VAL  33   7.533  -2.737  -2.873
  214   HG22  VAL  33          1HG2      VAL  33   6.878  -1.271  -2.146
  215   HG23  VAL  33          2HG2      VAL  33   6.379  -2.853  -1.544
  216    H    GLY  34           H        GLY  34   4.833   0.207  -1.033
  217    HA2  GLY  34           1HA      GLY  34   5.523   2.546  -2.676
  218    HA3  GLY  34           2HA      GLY  34   5.020   2.586  -0.990
  219    H    VAL  35           H        VAL  35   7.613   1.449  -3.106
  220    HA   VAL  35           HA       VAL  35   9.488   1.236  -0.932
  221    HB   VAL  35           HB       VAL  35  11.131   1.113  -3.005
  222   HG11  VAL  35          1HG1      VAL  35  10.893  -1.246  -2.987
  223   HG12  VAL  35          2HG1      VAL  35  10.451  -0.689  -1.373
  224   HG13  VAL  35          3HG1      VAL  35   9.195  -1.140  -2.524
  225   HG21  VAL  35          3HG2      VAL  35   8.735   0.025  -4.386
  226   HG22  VAL  35          1HG2      VAL  35   9.003   1.767  -4.439
  227   HG23  VAL  35          2HG2      VAL  35  10.235   0.667  -5.058
  228    H    ILE  36           H        ILE  36  11.669   2.412  -1.180
  229    HA   ILE  36           HA       ILE  36  11.172   5.146  -0.802
  230    HB   ILE  36           HB       ILE  36  13.589   5.463  -0.715
  231   HG12  ILE  36          2HG1      ILE  36  14.365   2.684  -1.072
  232   HG13  ILE  36          1HG1      ILE  36  13.694   3.366  -2.549
  233   HG21  ILE  36          1HG2      ILE  36  13.523   2.917   0.678
  234   HG22  ILE  36          2HG2      ILE  36  13.666   4.555   1.315
  235   HG23  ILE  36          3HG2      ILE  36  12.075   3.884   0.955
  236   HD11  ILE  36          3HD1      ILE  36  15.909   4.643  -0.964
  237   HD12  ILE  36          1HD1      ILE  36  16.162   3.563  -2.334
  238   HD13  ILE  36          2HD1      ILE  36  15.333   5.102  -2.568
  239    H    GLY  37           H        GLY  37  11.137   6.865  -2.097
  240    HA2  GLY  37           1HA      GLY  37  11.650   8.191  -3.941
  241    HA3  GLY  37           2HA      GLY  37  12.470   6.821  -4.673
  242    H    SER  38           H        SER  38   9.238   6.395  -3.490
  243    HA   SER  38           HA       SER  38   8.336   6.073  -6.252
  244    HB2  SER  38           1HB      SER  38   7.016   5.264  -3.650
  245    HB3  SER  38           2HB      SER  38   6.385   4.918  -5.260
  246    HG   SER  38           HG       SER  38   8.614   3.846  -3.938
  247    H    GLN  39           H        GLN  39   6.480   7.035  -7.051
  248    HA   GLN  39           HA       GLN  39   5.646   9.493  -5.658
  249    HB2  GLN  39           1HB      GLN  39   6.731   9.398  -8.078
  250    HB3  GLN  39           2HB      GLN  39   5.081   9.014  -8.554
  251    HG2  GLN  39           1HG      GLN  39   4.960  11.259  -8.751
  252    HG3  GLN  39           2HG      GLN  39   4.582  11.140  -7.033
  253   HE21  GLN  39          1HE2      GLN  39   7.711  10.732  -8.619
  254   HE22  GLN  39          2HE2      GLN  39   8.480  12.062  -7.827
  255    H    CYS  40           H        CYS  40   3.895   8.890  -4.479
  256    HA   CYS  40           HA       CYS  40   1.814   7.345  -5.879
  257    HB2  CYS  40           1HB      CYS  40   2.645   7.349  -2.983
  258    HB3  CYS  40           2HB      CYS  40   1.108   6.676  -3.521
  259    H    GLY  41           H        GLY  41   0.197   8.587  -6.478
  260    HA2  GLY  41           1HA      GLY  41  -0.556  10.890  -4.815
  261    HA3  GLY  41           2HA      GLY  41  -1.074  10.596  -6.470
  262    H    ALA  42           H        ALA  42  -1.188   8.735  -3.443
  263    HA   ALA  42           HA       ALA  42  -4.083   8.623  -3.566
  264    HB1  ALA  42           1HB      ALA  42  -2.808   6.670  -4.914
  265    HB2  ALA  42           2HB      ALA  42  -2.846   5.952  -3.304
  266    HB3  ALA  42           3HB      ALA  42  -4.349   6.434  -4.091
  267    H    SER  43           H        SER  43  -4.636   6.784  -1.705
  268    HA   SER  43           HA       SER  43  -3.735   8.038   0.698
  269    HB2  SER  43           1HB      SER  43  -5.129   5.703   1.381
  270    HB3  SER  43           2HB      SER  43  -5.797   7.332   1.254
  271    HG   SER  43           HG       SER  43  -5.620   5.409  -0.840
  272    H    VAL  44           H        VAL  44  -1.483   7.618   0.740
  273    HA   VAL  44           HA       VAL  44  -0.381   5.004   0.773
  274    HB   VAL  44           HB       VAL  44   0.808   7.379   2.209
  275   HG11  VAL  44          1HG1      VAL  44   2.150   5.116   0.741
  276   HG12  VAL  44          2HG1      VAL  44   2.908   6.329   1.770
  277   HG13  VAL  44          3HG1      VAL  44   1.838   5.120   2.477
  278   HG21  VAL  44          3HG2      VAL  44   1.902   7.990   0.098
  279   HG22  VAL  44          1HG2      VAL  44   0.975   6.746  -0.739
  280   HG23  VAL  44          2HG2      VAL  44   0.148   8.124  -0.016
  281    H    LYS  45           H        LYS  45  -0.316   3.514   2.348
  282    HA   LYS  45           HA       LYS  45  -1.043   4.330   5.069
  283    HB2  LYS  45           1HB      LYS  45  -2.530   2.528   3.265
  284    HB3  LYS  45           2HB      LYS  45  -2.306   1.939   4.907
  285    HG2  LYS  45           1HG      LYS  45  -3.842   3.326   5.714
  286    HG3  LYS  45           2HG      LYS  45  -3.161   4.706   4.851
  287    HD2  LYS  45           1HD      LYS  45  -4.867   4.646   3.434
  288    HD3  LYS  45           2HD      LYS  45  -4.383   3.025   2.930
  289    HE2  LYS  45           2HE      LYS  45  -6.675   2.964   3.663
  290    HE3  LYS  45           1HE      LYS  45  -5.674   2.095   4.825
  291    HZ1  LYS  45           3HZ      LYS  45  -5.773   3.909   6.322
  292    HZ2  LYS  45           1HZ      LYS  45  -7.362   3.609   5.819
  293    HZ3  LYS  45           2HZ      LYS  45  -6.498   4.923   5.177
  294    H    CYS  46           H        CYS  46  -0.772   2.404   6.586
  295    HA   CYS  46           HA       CYS  46   1.761   1.072   5.914
  296    HB2  CYS  46           1HB      CYS  46   0.644   1.937   8.586
  297    HB3  CYS  46           2HB      CYS  46   2.105   0.977   8.393
  298    H    CYS  47           H        CYS  47   1.391  -0.982   5.366
  299    HA   CYS  47           HA       CYS  47  -0.679  -2.439   6.870
  300    HB2  CYS  47           1HB      CYS  47   0.313  -3.534   4.295
  301    HB3  CYS  47           2HB      CYS  47  -1.306  -3.569   4.984
  302    H    LYS  48           H        LYS  48  -0.195  -4.295   7.876
  303    HA   LYS  48           HA       LYS  48   2.593  -5.215   7.780
  304    HB2  LYS  48           1HB      LYS  48   1.081  -4.675   9.951
  305    HB3  LYS  48           2HB      LYS  48   0.675  -6.370   9.731
  306    HG2  LYS  48           1HG      LYS  48   2.746  -7.086  10.310
  307    HG3  LYS  48           2HG      LYS  48   3.546  -5.650   9.669
  308    HD2  LYS  48           1HD      LYS  48   3.352  -4.517  11.620
  309    HD3  LYS  48           2HD      LYS  48   1.767  -5.208  11.975
  310    HE2  LYS  48           2HE      LYS  48   3.548  -5.900  13.568
  311    HE3  LYS  48           1HE      LYS  48   2.747  -7.241  12.755
  312    HZ1  LYS  48           3HZ      LYS  48   5.334  -7.153  12.961
  313    HZ2  LYS  48           1HZ      LYS  48   5.219  -6.172  11.585
  314    HZ3  LYS  48           2HZ      LYS  48   4.601  -7.749  11.554
  315    H    ASP  49           H        ASP  49   0.865  -5.707   5.624
  316    HA   ASP  49           HA       ASP  49  -0.369  -8.275   5.894
  317    HB2  ASP  49           1HB      ASP  49  -1.053  -6.314   4.332
  318    HB3  ASP  49           2HB      ASP  49   0.180  -6.961   3.253
  319    H    ASP  50           H        ASP  50   0.137 -10.110   4.575
  320    HA   ASP  50           HA       ASP  50   2.995 -10.624   4.522
  321    HB2  ASP  50           1HB      ASP  50   1.434 -12.239   5.556
  322    HB3  ASP  50           2HB      ASP  50   0.645 -12.463   3.999
  323    H    VAL  51           H        VAL  51   0.529  -9.719   2.379
  324    HA   VAL  51           HA       VAL  51   0.375  -9.467   0.137
  325    HB   VAL  51           HB       VAL  51   3.344  -9.903  -0.134
  326   HG11  VAL  51          1HG1      VAL  51   1.608  -7.887  -1.530
  327   HG12  VAL  51          2HG1      VAL  51   3.195  -8.494  -2.005
  328   HG13  VAL  51          3HG1      VAL  51   1.780  -9.542  -2.118
  329   HG21  VAL  51          3HG2      VAL  51   3.822  -8.186   1.189
  330   HG22  VAL  51          1HG2      VAL  51   2.796  -7.141   0.206
  331   HG23  VAL  51          2HG2      VAL  51   2.113  -8.003   1.586
  332    H    THR  52           H        THR  52  -0.225 -11.935   1.064
  333    HA   THR  52           HA       THR  52   0.976 -13.870  -0.757
  334    HB   THR  52           HB       THR  52  -1.290 -14.892   0.709
  335    HG1  THR  52           1HG      THR  52   0.737 -14.102   2.492
  336   HG21  THR  52          3HG2      THR  52   1.680 -15.426   0.816
  337   HG22  THR  52          1HG2      THR  52   0.484 -16.302  -0.140
  338   HG23  THR  52          2HG2      THR  52   0.459 -16.409   1.622
  339    H    ASN  53           H        ASN  53  -1.201 -11.535  -1.107
  340    HA   ASN  53           HA       ASN  53  -3.300 -12.975  -2.460
  341    HB2  ASN  53           1HB      ASN  53  -3.392 -10.626  -1.261
  342    HB3  ASN  53           2HB      ASN  53  -2.853 -10.035  -2.829
  343   HD21  ASN  53          1HD2      ASN  53  -5.298  -9.388  -1.612
  344   HD22  ASN  53          2HD2      ASN  53  -6.575 -10.028  -2.591
  345    H    THR  54           H        THR  54  -3.641 -13.067  -4.671
  346    HA   THR  54           HA       THR  54  -1.243 -13.073  -6.252
  347    HB   THR  54           HB       THR  54  -3.314 -13.556  -8.000
  348    HG1  THR  54           1HG      THR  54  -5.023 -14.036  -6.849
  349   HG21  THR  54          3HG2      THR  54  -1.158 -14.868  -7.273
  350   HG22  THR  54          1HG2      THR  54  -2.507 -15.716  -8.029
  351   HG23  THR  54          2HG2      THR  54  -2.297 -15.773  -6.280
  352    H    GLY  55           H        GLY  55  -0.493 -11.196  -7.009
  353    HA2  GLY  55           1HA      GLY  55  -2.311  -9.501  -8.552
  354    HA3  GLY  55           2HA      GLY  55  -1.468  -8.749  -7.203
  355    H    ASN  56           H        ASN  56  -1.386  -8.790 -10.345
  356    HA   ASN  56           HA       ASN  56   1.399  -9.341 -10.828
  357    HB2  ASN  56           1HB      ASN  56  -0.563  -9.510 -12.515
  358    HB3  ASN  56           2HB      ASN  56  -0.366  -7.765 -12.679
  359   HD21  ASN  56          1HD2      ASN  56   1.111 -10.876 -13.160
  360   HD22  ASN  56          2HD2      ASN  56   2.332 -10.344 -14.270
  361    H    SER  57           H        SER  57  -0.632  -6.441 -10.706
  362    HA   SER  57           HA       SER  57   1.791  -4.896 -10.056
  363    HB2  SER  57           1HB      SER  57  -0.106  -3.104 -11.107
  364    HB3  SER  57           2HB      SER  57   1.388  -3.642 -11.883
  365    HG   SER  57           HG       SER  57  -1.217  -4.299 -12.432
  366    H    PHE  58           H        PHE  58  -1.744  -4.561 -10.020
  367    HA   PHE  58           HA       PHE  58  -1.657  -3.176  -7.489
  368    HB2  PHE  58           1HB      PHE  58  -3.303  -2.988  -9.627
  369    HB3  PHE  58           2HB      PHE  58  -4.250  -4.054  -8.597
  370    HD1  PHE  58           1HD      PHE  58  -2.228  -0.943  -8.261
  371    HD2  PHE  58           2HD      PHE  58  -5.775  -3.049  -7.233
  372    HE1  PHE  58           1HE      PHE  58  -3.008   1.009  -6.993
  373    HE2  PHE  58           2HE      PHE  58  -6.568  -1.100  -5.960
  374    HZ   PHE  58           HZ       PHE  58  -5.183   0.934  -5.840
  375    H    LEU  59           H        LEU  59  -1.468  -4.293  -5.669
  376    HA   LEU  59           HA       LEU  59  -2.710  -6.948  -5.491
  377    HB2  LEU  59           1HB      LEU  59  -0.839  -5.878  -3.421
  378    HB3  LEU  59           2HB      LEU  59  -1.138  -7.539  -3.894
  379    HG   LEU  59           HG       LEU  59  -0.025  -6.242  -6.146
  380   HD11  LEU  59          1HD1      LEU  59   2.048  -5.372  -5.340
  381   HD12  LEU  59          2HD1      LEU  59   0.740  -4.527  -4.512
  382   HD13  LEU  59          3HD1      LEU  59   1.640  -5.796  -3.678
  383   HD21  LEU  59          3HD2      LEU  59   1.924  -7.814  -4.860
  384   HD22  LEU  59          1HD2      LEU  59   0.362  -8.555  -4.521
  385   HD23  LEU  59          2HD2      LEU  59   0.861  -8.271  -6.188
  386    H    ILE  60           H        ILE  60  -4.442  -7.226  -4.222
  387    HA   ILE  60           HA       ILE  60  -5.426  -4.949  -2.724
  388    HB   ILE  60           HB       ILE  60  -6.607  -7.588  -3.530
  389   HG12  ILE  60          2HG1      ILE  60  -8.487  -5.775  -4.060
  390   HG13  ILE  60          1HG1      ILE  60  -7.101  -4.691  -4.022
  391   HG21  ILE  60          1HG2      ILE  60  -8.164  -5.794  -1.727
  392   HG22  ILE  60          2HG2      ILE  60  -8.372  -7.512  -2.062
  393   HG23  ILE  60          3HG2      ILE  60  -7.050  -6.970  -1.030
  394   HD11  ILE  60          3HD1      ILE  60  -7.935  -6.571  -6.053
  395   HD12  ILE  60          1HD1      ILE  60  -6.810  -5.214  -6.155
  396   HD13  ILE  60          2HD1      ILE  60  -6.246  -6.789  -5.591
  397    H    ILE  61           H        ILE  61  -5.103  -4.668  -0.633
  398    HA   ILE  61           HA       ILE  61  -4.103  -6.932   0.952
  399    HB   ILE  61           HB       ILE  61  -3.382  -4.036   0.906
  400   HG12  ILE  61          2HG1      ILE  61  -1.276  -5.733   1.744
  401   HG13  ILE  61          1HG1      ILE  61  -2.130  -6.576   0.456
  402   HG21  ILE  61          1HG2      ILE  61  -3.894  -5.498   3.356
  403   HG22  ILE  61          2HG2      ILE  61  -2.224  -4.942   3.249
  404   HG23  ILE  61          3HG2      ILE  61  -3.548  -3.786   3.112
  405   HD11  ILE  61          3HD1      ILE  61  -0.559  -4.073   0.375
  406   HD12  ILE  61          1HD1      ILE  61  -0.643  -5.404  -0.780
  407   HD13  ILE  61          2HD1      ILE  61  -1.944  -4.211  -0.709
  408    H    ASN  62           H        ASN  62  -5.121  -7.463   2.800
  409    HA   ASN  62           HA       ASN  62  -7.785  -6.693   3.184
  410    HB2  ASN  62           1HB      ASN  62  -6.592  -8.835   3.967
  411    HB3  ASN  62           2HB      ASN  62  -6.075  -7.888   5.358
  412   HD21  ASN  62          1HD2      ASN  62  -7.449  -9.939   6.074
  413   HD22  ASN  62          2HD2      ASN  62  -9.106  -9.570   6.439
  414    H    ALA  63           H        ALA  63  -8.777  -5.254   4.470
  415    HA   ALA  63           HA       ALA  63  -7.322  -2.991   5.391
  416    HB1  ALA  63           1HB      ALA  63  -9.774  -2.676   6.509
  417    HB2  ALA  63           2HB      ALA  63  -9.377  -2.253   4.844
  418    HB3  ALA  63           3HB      ALA  63 -10.141  -3.800   5.205
  419    H    ALA  64           H        ALA  64  -7.930  -5.999   6.764
  420    HA   ALA  64           HA       ALA  64  -7.824  -5.114   9.519
  421    HB1  ALA  64           1HB      ALA  64  -9.108  -7.109   8.918
  422    HB2  ALA  64           2HB      ALA  64  -7.634  -7.890   8.352
  423    HB3  ALA  64           3HB      ALA  64  -7.825  -7.495  10.062
  424    H    ASN  65           H        ASN  65  -5.621  -5.589   7.029
  425    HA   ASN  65           HA       ASN  65  -3.431  -6.197   8.900
  426    HB2  ASN  65           1HB      ASN  65  -4.012  -7.026   6.180
  427    HB3  ASN  65           2HB      ASN  65  -2.398  -6.334   6.322
  428   HD21  ASN  65          1HD2      ASN  65  -2.599  -8.909   5.650
  429   HD22  ASN  65          2HD2      ASN  65  -2.122  -9.927   6.973
  430    H    CYS  66           H        CYS  66  -4.542  -3.956   6.445
  431    HA   CYS  66           HA       CYS  66  -2.260  -2.208   6.963
  432    HB2  CYS  66           1HB      CYS  66  -3.438  -2.681   4.635
  433    HB3  CYS  66           2HB      CYS  66  -4.529  -1.410   5.183
  434    H    VAL  67           H        VAL  67  -2.384  -0.409   8.219
  435    HA   VAL  67           HA       VAL  67  -4.789  -0.199   9.841
  436    HB   VAL  67           HB       VAL  67  -3.462   1.314  11.275
  437   HG11  VAL  67          1HG1      VAL  67  -1.531  -0.693  11.406
  438   HG12  VAL  67          2HG1      VAL  67  -3.047  -0.606  12.303
  439   HG13  VAL  67          3HG1      VAL  67  -2.978  -1.474  10.771
  440   HG21  VAL  67          3HG2      VAL  67  -1.996   2.297   9.610
  441   HG22  VAL  67          1HG2      VAL  67  -1.045   1.536  10.884
  442   HG23  VAL  67          2HG2      VAL  67  -1.233   0.732   9.327
  443    H    ALA  68           H        ALA  68  -5.353   2.070  10.592
  444    HA   ALA  68           HA       ALA  68  -5.504   3.861   8.259
  445    HB1  ALA  68           1HB      ALA  68  -7.540   3.087  10.303
  446    HB2  ALA  68           2HB      ALA  68  -7.629   4.678   9.549
  447    HB3  ALA  68           3HB      ALA  68  -7.704   3.225   8.552
  Start of MODEL    8
    1    H1   SER   1           1H       SER   1  -3.651  12.644  -4.742
    2    H2   SER   1           2H       SER   1  -3.659  14.269  -5.217
    3    H3   SER   1           3H       SER   1  -4.504  13.790  -3.829
    4    HA   SER   1           HA       SER   1  -2.149  14.904  -3.709
    5    HB2  SER   1           1HB      SER   1  -2.507  12.609  -1.853
    6    HB3  SER   1           2HB      SER   1  -2.198  14.308  -1.498
    7    HG   SER   1           HG       SER   1  -4.275  14.675  -1.409
    8    H    ALA   2           H        ALA   2  -0.077  14.550  -4.152
    9    HA   ALA   2           HA       ALA   2   0.769  11.790  -4.770
   10    HB1  ALA   2           1HB      ALA   2   1.357  12.629  -6.749
   11    HB2  ALA   2           2HB      ALA   2   1.120  14.288  -6.198
   12    HB3  ALA   2           3HB      ALA   2   2.654  13.470  -5.899
   13    H    THR   3           H        THR   3   1.458  11.222  -2.750
   14    HA   THR   3           HA       THR   3   3.070  12.971  -1.141
   15    HB   THR   3           HB       THR   3   3.044  10.204  -0.281
   16    HG1  THR   3           1HG      THR   3   0.703  10.138  -0.034
   17   HG21  THR   3          3HG2      THR   3   2.795  11.207   1.708
   18   HG22  THR   3          1HG2      THR   3   1.369  12.094   1.173
   19   HG23  THR   3          2HG2      THR   3   2.979  12.731   0.841
   20    H    THR   4           H        THR   4   5.237  12.903  -0.792
   21    HA   THR   4           HA       THR   4   6.856  11.351  -2.626
   22    HB   THR   4           HB       THR   4   8.153  12.935  -0.469
   23    HG1  THR   4           1HG      THR   4   6.515  14.372  -0.970
   24   HG21  THR   4          3HG2      THR   4   8.742  13.357  -3.330
   25   HG22  THR   4          1HG2      THR   4   9.045  11.733  -2.713
   26   HG23  THR   4          2HG2      THR   4   9.838  13.121  -1.968
   27    H    ILE   5           H        ILE   5   6.568   9.230  -1.916
   28    HA   ILE   5           HA       ILE   5   7.198   8.507   0.801
   29    HB   ILE   5           HB       ILE   5   5.620   7.053  -0.077
   30   HG12  ILE   5          2HG1      ILE   5   7.723   5.222  -0.955
   31   HG13  ILE   5          1HG1      ILE   5   8.085   6.010   0.576
   32   HG21  ILE   5          1HG2      ILE   5   6.064   7.885  -2.456
   33   HG22  ILE   5          2HG2      ILE   5   7.169   6.516  -2.584
   34   HG23  ILE   5          3HG2      ILE   5   5.459   6.241  -2.252
   35   HD11  ILE   5          3HD1      ILE   5   6.461   4.908   1.676
   36   HD12  ILE   5          1HD1      ILE   5   5.378   4.890   0.285
   37   HD13  ILE   5          2HD1      ILE   5   6.709   3.737   0.382
   38    H    GLY   6           H        GLY   6   9.202   8.350   1.531
   39    HA2  GLY   6           1HA      GLY   6  11.393   8.014  -0.391
   40    HA3  GLY   6           2HA      GLY   6  11.550   8.595   1.262
   41    HA   PRO   7           HA       PRO   7  12.885   4.272   1.638
   42    HB2  PRO   7           1HB      PRO   7  14.437   5.175   3.915
   43    HB3  PRO   7           2HB      PRO   7  15.012   4.560   2.366
   44    HG2  PRO   7           1HG      PRO   7  15.324   7.145   3.157
   45    HG3  PRO   7           2HG      PRO   7  15.202   6.651   1.459
   46    HD2  PRO   7           1HD      PRO   7  13.096   7.805   3.252
   47    HD3  PRO   7           2HD      PRO   7  13.455   8.177   1.550
   48    H    ASN   8           H        ASN   8  10.562   4.227   2.312
   49    HA   ASN   8           HA       ASN   8   9.008   3.343   3.698
   50    HB2  ASN   8           1HB      ASN   8  10.771   1.916   4.681
   51    HB3  ASN   8           2HB      ASN   8  11.176   3.211   5.806
   52   HD21  ASN   8          1HD2      ASN   8  10.700   1.816   7.550
   53   HD22  ASN   8          2HD2      ASN   8   9.057   1.486   7.997
   54    H    THR   9           H        THR   9   7.492   4.718   4.145
   55    HA   THR   9           HA       THR   9   8.004   7.127   5.670
   56    HB   THR   9           HB       THR   9   5.349   6.170   4.594
   57    HG1  THR   9           1HG      THR   9   7.405   7.643   3.259
   58   HG21  THR   9          3HG2      THR   9   6.336   9.000   4.833
   59   HG22  THR   9          1HG2      THR   9   5.551   8.176   6.182
   60   HG23  THR   9          2HG2      THR   9   4.679   8.420   4.670
   61    H    CYS  10           H        CYS  10   7.015   3.936   6.264
   62    HA   CYS  10           HA       CYS  10   5.616   4.702   8.736
   63    HB2  CYS  10           1HB      CYS  10   5.519   2.054   7.274
   64    HB3  CYS  10           2HB      CYS  10   4.559   2.507   8.679
   65    H    SER  11           H        SER  11   7.836   5.071   9.610
   66    HA   SER  11           HA       SER  11   9.519   2.797  10.081
   67    HB2  SER  11           1HB      SER  11   9.948   5.039  11.881
   68    HB3  SER  11           2HB      SER  11  11.016   4.380  10.640
   69    HG   SER  11           HG       SER  11  10.355   5.838   9.261
   70    H    ILE  12           H        ILE  12   7.214   1.864  10.905
   71    HA   ILE  12           HA       ILE  12   7.311   2.002  13.847
   72    HB   ILE  12           HB       ILE  12   4.773   1.593  12.259
   73   HG12  ILE  12          2HG1      ILE  12   4.830   4.055  13.754
   74   HG13  ILE  12          1HG1      ILE  12   6.179   4.009  12.627
   75   HG21  ILE  12          1HG2      ILE  12   4.398   0.654  14.337
   76   HG22  ILE  12          2HG2      ILE  12   5.441   1.812  15.162
   77   HG23  ILE  12          3HG2      ILE  12   3.853   2.313  14.587
   78   HD11  ILE  12          3HD1      ILE  12   4.195   5.075  11.679
   79   HD12  ILE  12          1HD1      ILE  12   4.670   3.630  10.784
   80   HD13  ILE  12          2HD1      ILE  12   3.298   3.572  11.892
   81    H    ASP  13           H        ASP  13   8.352   0.141  14.264
   82    HA   ASP  13           HA       ASP  13   8.708  -2.075  14.559
   83    HB2  ASP  13           1HB      ASP  13   6.403  -1.983  15.448
   84    HB3  ASP  13           2HB      ASP  13   5.773  -2.320  13.839
   85    H    ASP  14           H        ASP  14   6.331  -3.240  12.409
   86    HA   ASP  14           HA       ASP  14   8.279  -3.524  10.231
   87    HB2  ASP  14           1HB      ASP  14   8.271  -5.588  11.620
   88    HB3  ASP  14           2HB      ASP  14   6.547  -5.760  11.316
   89    H    TYR  15           H        TYR  15   6.064  -1.733  10.561
   90    HA   TYR  15           HA       TYR  15   3.948  -2.731   8.860
   91    HB2  TYR  15           1HB      TYR  15   4.359  -0.416  10.588
   92    HB3  TYR  15           2HB      TYR  15   3.608   0.016   9.056
   93    HD1  TYR  15           2HD      TYR  15   2.245  -2.831   8.843
   94    HD2  TYR  15           1HD      TYR  15   2.350   0.191  11.834
   95    HE1  TYR  15           2HE      TYR  15   0.076  -3.610   9.699
   96    HE2  TYR  15           1HE      TYR  15   0.180  -0.580  12.697
   97    HH   TYR  15           HH       TYR  15  -1.444  -2.066  12.520
   98    H    LYS  16           H        LYS  16   4.182  -2.837   6.739
   99    HA   LYS  16           HA       LYS  16   6.230  -1.279   5.408
  100    HB2  LYS  16           1HB      LYS  16   4.427  -3.540   4.605
  101    HB3  LYS  16           2HB      LYS  16   5.260  -2.599   3.377
  102    HG2  LYS  16           1HG      LYS  16   6.978  -3.970   3.634
  103    HG3  LYS  16           2HG      LYS  16   7.237  -3.231   5.216
  104    HD2  LYS  16           1HD      LYS  16   5.485  -4.927   6.052
  105    HD3  LYS  16           2HD      LYS  16   5.798  -5.771   4.532
  106    HE2  LYS  16           2HE      LYS  16   8.116  -6.025   5.077
  107    HE3  LYS  16           1HE      LYS  16   7.945  -4.999   6.501
  108    HZ1  LYS  16           3HZ      LYS  16   7.450  -6.787   7.682
  109    HZ2  LYS  16           1HZ      LYS  16   7.599  -7.768   6.305
  110    HZ3  LYS  16           2HZ      LYS  16   6.097  -7.093   6.704
  111    HA   PRO  17           HA       PRO  17   3.315   1.768   3.990
  112    HB2  PRO  17           1HB      PRO  17   4.906   3.073   2.264
  113    HB3  PRO  17           2HB      PRO  17   5.160   3.169   4.012
  114    HG2  PRO  17           1HG      PRO  17   6.606   1.537   1.971
  115    HG3  PRO  17           2HG      PRO  17   7.254   2.414   3.368
  116    HD2  PRO  17           1HD      PRO  17   6.768  -0.298   3.312
  117    HD3  PRO  17           2HD      PRO  17   6.833   0.680   4.791
  118    H    TYR  18           H        TYR  18   1.756   1.680   2.499
  119    HA   TYR  18           HA       TYR  18   2.359   0.523  -0.139
  120    HB2  TYR  18           1HB      TYR  18   0.034  -0.134   1.675
  121    HB3  TYR  18           2HB      TYR  18   0.046  -0.516  -0.042
  122    HD1  TYR  18           1HD      TYR  18   1.682  -2.170  -0.920
  123    HD2  TYR  18           2HD      TYR  18   1.220  -1.464   3.246
  124    HE1  TYR  18           1HE      TYR  18   2.816  -4.299  -0.441
  125    HE2  TYR  18           2HE      TYR  18   2.355  -3.586   3.739
  126    HH   TYR  18           HH       TYR  18   3.184  -5.857   1.209
  127    H    CYS  19           H        CYS  19   1.689   1.751  -1.780
  128    HA   CYS  19           HA       CYS  19   0.112   4.121  -1.258
  129    HB2  CYS  19           1HB      CYS  19   1.110   3.108  -3.930
  130    HB3  CYS  19           2HB      CYS  19   0.590   4.744  -3.539
  131    H    CYS  20           H        CYS  20  -1.994   3.809  -0.977
  132    HA   CYS  20           HA       CYS  20  -3.313   1.649  -2.456
  133    HB2  CYS  20           1HB      CYS  20  -3.326   2.105   0.184
  134    HB3  CYS  20           2HB      CYS  20  -4.719   3.081  -0.271
  135    H    GLN  21           H        GLN  21  -4.803   1.999  -3.939
  136    HA   GLN  21           HA       GLN  21  -5.494   4.701  -4.683
  137    HB2  GLN  21           1HB      GLN  21  -6.836   2.347  -5.930
  138    HB3  GLN  21           2HB      GLN  21  -6.251   3.827  -6.677
  139    HG2  GLN  21           1HG      GLN  21  -4.241   1.960  -5.545
  140    HG3  GLN  21           2HG      GLN  21  -5.059   1.491  -7.033
  141   HE21  GLN  21          1HE2      GLN  21  -2.858   1.597  -7.878
  142   HE22  GLN  21          2HE2      GLN  21  -2.256   3.126  -8.433
  143    H    SER  22           H        SER  22  -7.683   5.470  -4.873
  144    HA   SER  22           HA       SER  22  -9.166   4.839  -2.494
  145    HB2  SER  22           1HB      SER  22 -10.481   6.710  -4.282
  146    HB3  SER  22           2HB      SER  22  -9.813   6.980  -2.670
  147    HG   SER  22           HG       SER  22  -8.789   7.674  -5.077
  148    H    MET  23           H        MET  23  -9.887   2.684  -2.999
  149    HA   MET  23           HA       MET  23 -11.941   2.438  -5.049
  150    HB2  MET  23           1HB      MET  23 -10.657   0.528  -3.122
  151    HB3  MET  23           2HB      MET  23 -12.163   0.099  -3.917
  152    HG2  MET  23           1HG      MET  23 -11.012  -0.598  -5.664
  153    HG3  MET  23           2HG      MET  23 -10.463   1.056  -5.932
  154    HE1  MET  23           3HE      MET  23  -8.365  -1.594  -6.756
  155    HE2  MET  23           1HE      MET  23  -8.639   0.096  -7.187
  156    HE3  MET  23           2HE      MET  23  -7.096  -0.398  -6.487
  157    H    SER  24           H        SER  24 -11.932   1.476  -1.632
  158    HA   SER  24           HA       SER  24 -14.273   3.090  -1.086
  159    HB2  SER  24           1HB      SER  24 -15.351   0.910  -0.073
  160    HB3  SER  24           2HB      SER  24 -15.542   1.268  -1.790
  161    HG   SER  24           HG       SER  24 -14.776  -0.704  -1.966
  162    H    GLY  25           H        GLY  25 -12.481   0.304   0.224
  163    HA2  GLY  25           1HA      GLY  25 -11.010   0.462   2.101
  164    HA3  GLY  25           2HA      GLY  25 -11.867   1.911   2.610
  165    H    SER  26           H        SER  26 -14.295   0.070   1.713
  166    HA   SER  26           HA       SER  26 -14.565  -1.197   4.358
  167    HB2  SER  26           1HB      SER  26 -17.125  -0.867   3.222
  168    HB3  SER  26           2HB      SER  26 -16.430   0.026   4.573
  169    HG   SER  26           HG       SER  26 -17.198   1.273   2.673
  170    H    ALA  27           H        ALA  27 -13.378  -2.385   2.021
  171    HA   ALA  27           HA       ALA  27 -14.832  -4.846   1.964
  172    HB1  ALA  27           1HB      ALA  27 -14.688  -4.568  -0.744
  173    HB2  ALA  27           2HB      ALA  27 -16.146  -4.324   0.216
  174    HB3  ALA  27           3HB      ALA  27 -15.150  -2.943  -0.245
  175    H    SER  28           H        SER  28 -12.591  -3.114  -0.192
  176    HA   SER  28           HA       SER  28 -10.383  -4.765   0.687
  177    HB2  SER  28           1HB      SER  28 -11.159  -4.729  -2.242
  178    HB3  SER  28           2HB      SER  28  -9.827  -5.619  -1.508
  179    HG   SER  28           HG       SER  28 -12.043  -6.305  -0.228
  180    H    LEU  29           H        LEU  29  -8.347  -3.854   0.103
  181    HA   LEU  29           HA       LEU  29  -8.533  -1.124  -0.985
  182    HB2  LEU  29           1HB      LEU  29  -7.097  -2.236   1.366
  183    HB3  LEU  29           2HB      LEU  29  -6.274  -0.996   0.440
  184    HG   LEU  29           HG       LEU  29  -7.315   0.245   2.076
  185   HD11  LEU  29          1HD1      LEU  29  -7.921   1.240  -0.013
  186   HD12  LEU  29          2HD1      LEU  29  -9.275   0.125  -0.210
  187   HD13  LEU  29          3HD1      LEU  29  -9.314   1.344   1.065
  188   HD21  LEU  29          3HD2      LEU  29 -10.026  -0.598   2.120
  189   HD22  LEU  29          1HD2      LEU  29  -8.992  -2.015   2.309
  190   HD23  LEU  29          2HD2      LEU  29  -8.827  -0.648   3.411
  191    H    GLY  30           H        GLY  30  -7.353  -0.734  -2.754
  192    HA2  GLY  30           1HA      GLY  30  -5.503  -2.811  -3.667
  193    HA3  GLY  30           2HA      GLY  30  -6.179  -1.517  -4.651
  194    H    CYS  31           H        CYS  31  -3.711  -2.388  -2.351
  195    HA   CYS  31           HA       CYS  31  -2.357   0.151  -2.944
  196    HB2  CYS  31           1HB      CYS  31  -1.559  -0.989  -0.397
  197    HB3  CYS  31           2HB      CYS  31  -2.112   0.639  -0.776
  198    H    VAL  32           H        VAL  32  -0.610  -0.212  -4.095
  199    HA   VAL  32           HA       VAL  32   0.819  -2.733  -3.898
  200    HB   VAL  32           HB       VAL  32   2.335  -0.960  -5.470
  201   HG11  VAL  32          1HG1      VAL  32   1.863  -2.485  -7.227
  202   HG12  VAL  32          2HG1      VAL  32   1.905  -3.418  -5.732
  203   HG13  VAL  32          3HG1      VAL  32   0.355  -3.000  -6.465
  204   HG21  VAL  32          3HG2      VAL  32  -0.048   0.254  -5.350
  205   HG22  VAL  32          1HG2      VAL  32   0.970   0.278  -6.790
  206   HG23  VAL  32          2HG2      VAL  32  -0.366  -0.868  -6.674
  207    H    VAL  33           H        VAL  33   3.233  -2.661  -3.642
  208    HA   VAL  33           HA       VAL  33   3.849  -1.536  -1.148
  209    HB   VAL  33           HB       VAL  33   4.946  -3.564  -2.032
  210   HG11  VAL  33          1HG1      VAL  33   6.340  -1.637  -3.878
  211   HG12  VAL  33          2HG1      VAL  33   6.867  -3.295  -3.589
  212   HG13  VAL  33          3HG1      VAL  33   5.296  -2.986  -4.324
  213   HG21  VAL  33          3HG2      VAL  33   7.366  -2.768  -1.436
  214   HG22  VAL  33          1HG2      VAL  33   6.550  -1.260  -1.021
  215   HG23  VAL  33          2HG2      VAL  33   6.098  -2.761  -0.210
  216    H    GLY  34           H        GLY  34   4.852   0.285  -0.515
  217    HA2  GLY  34           1HA      GLY  34   4.831   2.543  -2.186
  218    HA3  GLY  34           2HA      GLY  34   5.608   2.442  -0.613
  219    H    VAL  35           H        VAL  35   6.124   2.987  -3.803
  220    HA   VAL  35           HA       VAL  35   8.713   1.769  -4.053
  221    HB   VAL  35           HB       VAL  35   8.686   3.623  -6.037
  222   HG11  VAL  35          1HG1      VAL  35   7.732   1.766  -7.451
  223   HG12  VAL  35          2HG1      VAL  35   9.124   1.339  -6.460
  224   HG13  VAL  35          3HG1      VAL  35   7.503   0.858  -5.958
  225   HG21  VAL  35          3HG2      VAL  35   5.854   2.762  -6.146
  226   HG22  VAL  35          1HG2      VAL  35   6.245   4.087  -5.046
  227   HG23  VAL  35          2HG2      VAL  35   6.621   4.224  -6.763
  228    H    ILE  36           H        ILE  36  10.460   2.508  -3.141
  229    HA   ILE  36           HA       ILE  36  10.570   4.848  -1.609
  230    HB   ILE  36           HB       ILE  36  13.094   4.432  -1.632
  231   HG12  ILE  36          2HG1      ILE  36  12.847   1.700  -2.506
  232   HG13  ILE  36          1HG1      ILE  36  12.374   2.786  -3.810
  233   HG21  ILE  36          1HG2      ILE  36  11.263   3.514  -0.030
  234   HG22  ILE  36          2HG2      ILE  36  11.605   1.972  -0.814
  235   HG23  ILE  36          3HG2      ILE  36  12.891   2.838   0.026
  236   HD11  ILE  36          3HD1      ILE  36  15.007   2.434  -2.488
  237   HD12  ILE  36          1HD1      ILE  36  14.610   2.607  -4.198
  238   HD13  ILE  36          2HD1      ILE  36  14.592   4.020  -3.142
  239    H    GLY  37           H        GLY  37  11.003   6.890  -2.057
  240    HA2  GLY  37           1HA      GLY  37  11.963   8.739  -3.041
  241    HA3  GLY  37           2HA      GLY  37  12.910   7.659  -4.055
  242    H    SER  38           H        SER  38   9.397   7.601  -3.864
  243    HA   SER  38           HA       SER  38   9.312   8.730  -6.580
  244    HB2  SER  38           1HB      SER  38   7.523   6.444  -5.816
  245    HB3  SER  38           2HB      SER  38   8.016   6.983  -7.421
  246    HG   SER  38           HG       SER  38   9.680   5.738  -5.481
  247    H    GLN  39           H        GLN  39   7.238   9.567  -7.239
  248    HA   GLN  39           HA       GLN  39   5.776  10.735  -5.000
  249    HB2  GLN  39           1HB      GLN  39   6.587  11.752  -7.419
  250    HB3  GLN  39           2HB      GLN  39   4.898  11.380  -7.728
  251    HG2  GLN  39           1HG      GLN  39   5.152  13.670  -7.008
  252    HG3  GLN  39           2HG      GLN  39   4.243  12.745  -5.814
  253   HE21  GLN  39          1HE2      GLN  39   4.690  13.878  -4.022
  254   HE22  GLN  39          2HE2      GLN  39   6.281  14.090  -3.365
  255    H    CYS  40           H        CYS  40   4.481   9.100  -4.224
  256    HA   CYS  40           HA       CYS  40   2.903   7.497  -6.029
  257    HB2  CYS  40           1HB      CYS  40   3.510   7.504  -3.155
  258    HB3  CYS  40           2HB      CYS  40   1.852   7.045  -3.529
  259    H    GLY  41           H        GLY  41   1.133   8.261  -6.964
  260    HA2  GLY  41           1HA      GLY  41  -0.230  10.573  -5.842
  261    HA3  GLY  41           2HA      GLY  41  -0.549   9.824  -7.400
  262    H    ALA  42           H        ALA  42  -0.485   8.473  -4.143
  263    HA   ALA  42           HA       ALA  42  -3.331   7.981  -4.153
  264    HB1  ALA  42           1HB      ALA  42  -1.635   5.535  -3.892
  265    HB2  ALA  42           2HB      ALA  42  -3.332   5.682  -4.355
  266    HB3  ALA  42           3HB      ALA  42  -2.065   6.121  -5.500
  267    H    SER  43           H        SER  43  -4.041   7.071  -2.116
  268    HA   SER  43           HA       SER  43  -2.778   8.278   0.082
  269    HB2  SER  43           1HB      SER  43  -4.524   6.246   1.009
  270    HB3  SER  43           2HB      SER  43  -4.863   7.970   0.852
  271    HG   SER  43           HG       SER  43  -5.232   5.964  -1.133
  272    H    VAL  44           H        VAL  44  -0.803   7.614   0.752
  273    HA   VAL  44           HA       VAL  44  -0.029   4.839   0.710
  274    HB   VAL  44           HB       VAL  44   1.444   7.065   2.120
  275   HG11  VAL  44          1HG1      VAL  44   1.928   4.288   1.665
  276   HG12  VAL  44          2HG1      VAL  44   3.152   5.232   0.818
  277   HG13  VAL  44          3HG1      VAL  44   2.910   5.452   2.552
  278   HG21  VAL  44          3HG2      VAL  44   0.805   7.540  -0.334
  279   HG22  VAL  44          1HG2      VAL  44   2.492   7.723   0.146
  280   HG23  VAL  44          2HG2      VAL  44   1.977   6.279  -0.726
  281    H    LYS  45           H        LYS  45  -0.467   3.410   2.229
  282    HA   LYS  45           HA       LYS  45  -0.978   4.361   4.975
  283    HB2  LYS  45           1HB      LYS  45  -2.195   1.809   4.018
  284    HB3  LYS  45           2HB      LYS  45  -2.779   2.939   5.230
  285    HG2  LYS  45           1HG      LYS  45  -2.845   4.327   2.790
  286    HG3  LYS  45           2HG      LYS  45  -3.483   2.715   2.460
  287    HD2  LYS  45           1HD      LYS  45  -5.000   2.991   4.418
  288    HD3  LYS  45           2HD      LYS  45  -4.432   4.655   4.562
  289    HE2  LYS  45           2HE      LYS  45  -5.113   4.723   2.006
  290    HE3  LYS  45           1HE      LYS  45  -6.178   3.409   2.502
  291    HZ1  LYS  45           3HZ      LYS  45  -6.145   5.818   4.162
  292    HZ2  LYS  45           1HZ      LYS  45  -7.434   4.782   3.780
  293    HZ3  LYS  45           2HZ      LYS  45  -6.907   5.929   2.648
  294    H    CYS  46           H        CYS  46  -0.618   2.584   6.615
  295    HA   CYS  46           HA       CYS  46   1.751   1.025   5.840
  296    HB2  CYS  46           1HB      CYS  46   0.901   1.554   8.681
  297    HB3  CYS  46           2HB      CYS  46   2.498   1.128   8.073
  298    H    CYS  47           H        CYS  47   1.349  -1.047   5.422
  299    HA   CYS  47           HA       CYS  47  -0.811  -2.349   6.939
  300    HB2  CYS  47           1HB      CYS  47  -0.288  -3.068   4.078
  301    HB3  CYS  47           2HB      CYS  47  -1.752  -3.289   5.029
  302    H    LYS  48           H        LYS  48  -0.565  -4.530   7.383
  303    HA   LYS  48           HA       LYS  48   1.991  -5.742   6.577
  304    HB2  LYS  48           1HB      LYS  48   0.851  -5.399   9.216
  305    HB3  LYS  48           2HB      LYS  48   1.077  -7.107   8.857
  306    HG2  LYS  48           1HG      LYS  48   3.436  -6.588   8.235
  307    HG3  LYS  48           2HG      LYS  48   3.169  -4.945   8.823
  308    HD2  LYS  48           1HD      LYS  48   3.944  -5.802  10.762
  309    HD3  LYS  48           2HD      LYS  48   2.280  -6.365  10.938
  310    HE2  LYS  48           2HE      LYS  48   3.018  -8.457  11.006
  311    HE3  LYS  48           1HE      LYS  48   3.632  -8.275   9.364
  312    HZ1  LYS  48           3HZ      LYS  48   5.286  -8.985  11.095
  313    HZ2  LYS  48           1HZ      LYS  48   5.172  -7.427  11.750
  314    HZ3  LYS  48           2HZ      LYS  48   5.743  -7.640  10.165
  315    H    ASP  49           H        ASP  49   0.547  -6.267   4.702
  316    HA   ASP  49           HA       ASP  49  -1.382  -8.389   5.223
  317    HB2  ASP  49           1HB      ASP  49  -1.578  -6.418   3.460
  318    HB3  ASP  49           2HB      ASP  49  -0.661  -7.532   2.448
  319    H    ASP  50           H        ASP  50  -1.106  -9.968   2.979
  320    HA   ASP  50           HA       ASP  50   1.382 -11.365   3.589
  321    HB2  ASP  50           1HB      ASP  50  -0.765 -12.630   3.479
  322    HB3  ASP  50           2HB      ASP  50  -0.886 -12.211   1.772
  323    H    VAL  51           H        VAL  51   3.116 -10.685   2.500
  324    HA   VAL  51           HA       VAL  51   2.769 -10.087  -0.357
  325    HB   VAL  51           HB       VAL  51   2.956  -7.960   0.717
  326   HG11  VAL  51          1HG1      VAL  51   5.232  -7.515   1.961
  327   HG12  VAL  51          2HG1      VAL  51   3.835  -8.180   2.808
  328   HG13  VAL  51          3HG1      VAL  51   5.135  -9.247   2.274
  329   HG21  VAL  51          3HG2      VAL  51   5.179  -8.934  -0.938
  330   HG22  VAL  51          1HG2      VAL  51   4.094  -7.565  -1.178
  331   HG23  VAL  51          2HG2      VAL  51   5.477  -7.415  -0.093
  332    H    THR  52           H        THR  52   3.468 -12.260  -0.745
  333    HA   THR  52           HA       THR  52   6.259 -12.870  -0.237
  334    HB   THR  52           HB       THR  52   4.497 -14.373  -2.162
  335    HG1  THR  52           1HG      THR  52   4.228 -14.118   0.603
  336   HG21  THR  52          3HG2      THR  52   6.281 -15.710  -2.227
  337   HG22  THR  52          1HG2      THR  52   6.014 -16.078  -0.523
  338   HG23  THR  52          2HG2      THR  52   7.090 -14.755  -0.981
  339    H    ASN  53           H        ASN  53   4.330 -11.351  -2.618
  340    HA   ASN  53           HA       ASN  53   6.633 -10.472  -4.074
  341    HB2  ASN  53           1HB      ASN  53   5.748 -12.829  -5.010
  342    HB3  ASN  53           2HB      ASN  53   4.634 -11.769  -5.869
  343   HD21  ASN  53          1HD2      ASN  53   5.833 -12.756  -7.721
  344   HD22  ASN  53          2HD2      ASN  53   7.275 -11.963  -8.248
  345    H    THR  54           H        THR  54   5.081  -9.714  -6.418
  346    HA   THR  54           HA       THR  54   3.769  -7.401  -5.315
  347    HB   THR  54           HB       THR  54   3.337  -7.611  -8.123
  348    HG1  THR  54           1HG      THR  54   6.084  -7.994  -7.462
  349   HG21  THR  54          3HG2      THR  54   4.154  -5.727  -6.298
  350   HG22  THR  54          1HG2      THR  54   4.107  -5.506  -8.047
  351   HG23  THR  54          2HG2      THR  54   5.608  -5.992  -7.259
  352    H    GLY  55           H        GLY  55   2.628 -10.246  -5.123
  353    HA2  GLY  55           1HA      GLY  55   0.545 -11.214  -5.116
  354    HA3  GLY  55           2HA      GLY  55  -0.122  -9.643  -5.549
  355    H    ASN  56           H        ASN  56  -0.906  -9.400  -7.526
  356    HA   ASN  56           HA       ASN  56  -0.147 -11.371  -9.576
  357    HB2  ASN  56           1HB      ASN  56  -2.618 -11.079  -8.857
  358    HB3  ASN  56           2HB      ASN  56  -2.550  -9.560  -9.747
  359   HD21  ASN  56          1HD2      ASN  56  -2.698 -12.981  -9.938
  360   HD22  ASN  56          2HD2      ASN  56  -2.858 -13.098 -11.664
  361    H    SER  57           H        SER  57  -1.721  -8.320 -10.235
  362    HA   SER  57           HA       SER  57   0.710  -7.325 -11.535
  363    HB2  SER  57           1HB      SER  57  -1.462  -5.544 -11.927
  364    HB3  SER  57           2HB      SER  57  -0.749  -6.645 -13.107
  365    HG   SER  57           HG       SER  57  -2.382  -7.957 -12.880
  366    H    PHE  58           H        PHE  58  -1.349  -6.926  -8.855
  367    HA   PHE  58           HA       PHE  58   0.410  -5.082  -7.585
  368    HB2  PHE  58           1HB      PHE  58  -0.975  -3.203  -7.384
  369    HB3  PHE  58           2HB      PHE  58  -1.201  -3.680  -9.059
  370    HD1  PHE  58           1HD      PHE  58  -3.235  -5.390  -9.407
  371    HD2  PHE  58           2HD      PHE  58  -2.822  -2.652  -6.174
  372    HE1  PHE  58           1HE      PHE  58  -5.669  -5.447  -9.052
  373    HE2  PHE  58           2HE      PHE  58  -5.249  -2.708  -5.811
  374    HZ   PHE  58           HZ       PHE  58  -6.679  -4.107  -7.249
  375    H    LEU  59           H        LEU  59  -0.741  -4.501  -5.320
  376    HA   LEU  59           HA       LEU  59  -1.593  -7.138  -4.350
  377    HB2  LEU  59           1HB      LEU  59  -0.174  -4.850  -3.008
  378    HB3  LEU  59           2HB      LEU  59  -0.833  -6.206  -2.112
  379    HG   LEU  59           HG       LEU  59   0.863  -7.088  -4.300
  380   HD11  LEU  59          1HD1      LEU  59   1.797  -4.861  -2.674
  381   HD12  LEU  59          2HD1      LEU  59   2.846  -6.276  -2.584
  382   HD13  LEU  59          3HD1      LEU  59   2.474  -5.553  -4.148
  383   HD21  LEU  59          3HD2      LEU  59   1.879  -8.404  -2.517
  384   HD22  LEU  59          1HD2      LEU  59   0.985  -7.477  -1.312
  385   HD23  LEU  59          2HD2      LEU  59   0.120  -8.504  -2.455
  386    H    ILE  60           H        ILE  60  -3.354  -7.417  -3.086
  387    HA   ILE  60           HA       ILE  60  -5.050  -5.060  -2.601
  388    HB   ILE  60           HB       ILE  60  -5.806  -7.922  -3.185
  389   HG12  ILE  60          2HG1      ILE  60  -7.318  -5.789  -4.456
  390   HG13  ILE  60          1HG1      ILE  60  -5.592  -5.654  -4.776
  391   HG21  ILE  60          1HG2      ILE  60  -7.770  -7.782  -2.134
  392   HG22  ILE  60          2HG2      ILE  60  -7.046  -6.451  -1.233
  393   HG23  ILE  60          3HG2      ILE  60  -8.034  -6.118  -2.655
  394   HD11  ILE  60          3HD1      ILE  60  -7.319  -7.159  -6.207
  395   HD12  ILE  60          1HD1      ILE  60  -5.583  -7.439  -6.116
  396   HD13  ILE  60          2HD1      ILE  60  -6.678  -8.353  -5.080
  397    H    ILE  61           H        ILE  61  -5.293  -4.518  -0.546
  398    HA   ILE  61           HA       ILE  61  -4.516  -6.486   1.509
  399    HB   ILE  61           HB       ILE  61  -4.170  -3.479   1.599
  400   HG12  ILE  61          2HG1      ILE  61  -1.914  -5.453   1.534
  401   HG13  ILE  61          1HG1      ILE  61  -2.697  -4.971   0.030
  402   HG21  ILE  61          1HG2      ILE  61  -3.193  -3.682   3.688
  403   HG22  ILE  61          2HG2      ILE  61  -4.527  -4.834   3.782
  404   HG23  ILE  61          3HG2      ILE  61  -2.883  -5.406   3.489
  405   HD11  ILE  61          3HD1      ILE  61  -2.110  -2.687   0.388
  406   HD12  ILE  61          1HD1      ILE  61  -1.506  -3.047   2.005
  407   HD13  ILE  61          2HD1      ILE  61  -0.662  -3.674   0.590
  408    H    ASN  62           H        ASN  62  -5.619  -6.426   3.502
  409    HA   ASN  62           HA       ASN  62  -8.335  -5.357   3.334
  410    HB2  ASN  62           1HB      ASN  62  -7.707  -7.794   4.009
  411    HB3  ASN  62           2HB      ASN  62  -7.305  -7.081   5.568
  412   HD21  ASN  62          1HD2      ASN  62  -9.136  -8.900   5.698
  413   HD22  ASN  62          2HD2      ASN  62 -10.733  -8.241   5.863
  414    H    ALA  63           H        ALA  63  -9.222  -4.064   4.992
  415    HA   ALA  63           HA       ALA  63  -7.331  -2.206   6.118
  416    HB1  ALA  63           1HB      ALA  63  -9.800  -1.890   5.134
  417    HB2  ALA  63           2HB      ALA  63 -10.183  -2.006   6.852
  418    HB3  ALA  63           3HB      ALA  63  -9.065  -0.768   6.280
  419    H    ALA  64           H        ALA  64  -8.111  -5.131   7.142
  420    HA   ALA  64           HA       ALA  64  -8.553  -4.511   9.948
  421    HB1  ALA  64           1HB      ALA  64  -8.910  -6.828  10.274
  422    HB2  ALA  64           2HB      ALA  64  -9.687  -6.424   8.743
  423    HB3  ALA  64           3HB      ALA  64  -8.122  -7.238   8.752
  424    H    ASN  65           H        ASN  65  -6.030  -5.755   7.835
  425    HA   ASN  65           HA       ASN  65  -4.197  -5.876  10.124
  426    HB2  ASN  65           1HB      ASN  65  -2.682  -7.092   8.507
  427    HB3  ASN  65           2HB      ASN  65  -4.166  -7.931   8.935
  428   HD21  ASN  65          1HD2      ASN  65  -2.285  -7.908   6.567
  429   HD22  ASN  65          2HD2      ASN  65  -3.342  -7.762   5.195
  430    H    CYS  66           H        CYS  66  -5.013  -3.994   7.440
  431    HA   CYS  66           HA       CYS  66  -2.520  -2.462   7.655
  432    HB2  CYS  66           1HB      CYS  66  -3.336  -2.944   5.376
  433    HB3  CYS  66           2HB      CYS  66  -4.860  -2.149   5.755
  434    H    VAL  67           H        VAL  67  -2.543  -0.281   8.340
  435    HA   VAL  67           HA       VAL  67  -4.972   0.463   9.805
  436    HB   VAL  67           HB       VAL  67  -3.411   2.311  10.750
  437   HG11  VAL  67          1HG1      VAL  67  -2.331  -0.009  11.982
  438   HG12  VAL  67          2HG1      VAL  67  -3.635   1.036  12.547
  439   HG13  VAL  67          3HG1      VAL  67  -4.000  -0.350  11.521
  440   HG21  VAL  67          3HG2      VAL  67  -1.056   1.721  10.849
  441   HG22  VAL  67          1HG2      VAL  67  -1.344   0.321   9.815
  442   HG23  VAL  67          2HG2      VAL  67  -1.563   1.951   9.174
  443    H    ALA  68           H        ALA  68  -6.312   1.473   8.470
  444    HA   ALA  68           HA       ALA  68  -5.274   3.407   6.541
  445    HB1  ALA  68           1HB      ALA  68  -7.809   3.415   5.909
  446    HB2  ALA  68           2HB      ALA  68  -6.790   2.047   5.453
  447    HB3  ALA  68           3HB      ALA  68  -7.851   1.928   6.858
  Start of MODEL    9
    1    H1   SER   1           1H       SER   1  -4.008  14.828  -3.208
    2    H2   SER   1           2H       SER   1  -2.501  14.268  -2.679
    3    H3   SER   1           3H       SER   1  -3.829  13.210  -2.728
    4    HA   SER   1           HA       SER   1  -3.884  13.226  -5.067
    5    HB2  SER   1           1HB      SER   1  -1.494  15.009  -5.266
    6    HB3  SER   1           2HB      SER   1  -2.832  14.791  -6.395
    7    HG   SER   1           HG       SER   1  -3.280  16.714  -5.536
    8    H    ALA   2           H        ALA   2  -0.855  13.581  -5.974
    9    HA   ALA   2           HA       ALA   2  -0.135  10.867  -5.338
   10    HB1  ALA   2           1HB      ALA   2   0.539  11.369  -7.476
   11    HB2  ALA   2           2HB      ALA   2   1.004  13.019  -7.059
   12    HB3  ALA   2           3HB      ALA   2   2.033  11.667  -6.587
   13    H    THR   3           H        THR   3   0.226  10.768  -3.136
   14    HA   THR   3           HA       THR   3   1.905  12.639  -1.771
   15    HB   THR   3           HB       THR   3   1.657  10.228  -0.283
   16    HG1  THR   3           1HG      THR   3  -0.309   9.525  -0.747
   17   HG21  THR   3          3HG2      THR   3   1.605  12.237   0.904
   18   HG22  THR   3          1HG2      THR   3  -0.083  11.722   0.941
   19   HG23  THR   3          2HG2      THR   3   0.436  12.966  -0.195
   20    H    THR   4           H        THR   4   4.023  12.533  -1.363
   21    HA   THR   4           HA       THR   4   5.534  10.460  -2.753
   22    HB   THR   4           HB       THR   4   6.786  12.806  -1.366
   23    HG1  THR   4           1HG      THR   4   4.837  13.038  -3.143
   24   HG21  THR   4          3HG2      THR   4   8.534  11.771  -2.345
   25   HG22  THR   4          1HG2      THR   4   7.941  12.526  -3.824
   26   HG23  THR   4          2HG2      THR   4   7.502  10.861  -3.447
   27    H    ILE   5           H        ILE   5   6.598   8.885  -1.755
   28    HA   ILE   5           HA       ILE   5   6.919   9.065   1.168
   29    HB   ILE   5           HB       ILE   5   6.700   6.729   1.382
   30   HG12  ILE   5          2HG1      ILE   5   6.412   6.230  -1.553
   31   HG13  ILE   5          1HG1      ILE   5   8.026   6.387  -0.871
   32   HG21  ILE   5          1HG2      ILE   5   4.536   6.233   0.110
   33   HG22  ILE   5          2HG2      ILE   5   4.552   7.603   1.221
   34   HG23  ILE   5          3HG2      ILE   5   4.688   7.875  -0.518
   35   HD11  ILE   5          3HD1      ILE   5   7.701   4.515   0.546
   36   HD12  ILE   5          1HD1      ILE   5   5.978   4.459   0.173
   37   HD13  ILE   5          2HD1      ILE   5   7.161   4.051  -1.068
   38    H    GLY   6           H        GLY   6   8.898   8.546   2.061
   39    HA2  GLY   6           1HA      GLY   6  11.146   8.605   0.222
   40    HA3  GLY   6           2HA      GLY   6  11.228   8.730   1.974
   41    HA   PRO   7           HA       PRO   7  12.588   4.445   1.120
   42    HB2  PRO   7           1HB      PRO   7  14.556   4.845   3.189
   43    HB3  PRO   7           2HB      PRO   7  14.816   4.588   1.464
   44    HG2  PRO   7           1HG      PRO   7  15.353   6.945   2.757
   45    HG3  PRO   7           2HG      PRO   7  14.975   6.825   1.029
   46    HD2  PRO   7           1HD      PRO   7  13.204   7.605   3.311
   47    HD3  PRO   7           2HD      PRO   7  13.302   8.292   1.674
   48    H    ASN   8           H        ASN   8  11.267   6.128   3.708
   49    HA   ASN   8           HA       ASN   8  10.286   3.733   4.942
   50    HB2  ASN   8           1HB      ASN   8  12.361   3.734   6.135
   51    HB3  ASN   8           2HB      ASN   8  12.279   5.473   6.408
   52   HD21  ASN   8          1HD2      ASN   8  11.624   6.095   8.321
   53   HD22  ASN   8          2HD2      ASN   8  10.665   5.165   9.424
   54    H    THR   9           H        THR   9   8.214   4.399   4.815
   55    HA   THR   9           HA       THR   9   7.544   7.078   5.781
   56    HB   THR   9           HB       THR   9   5.362   5.441   4.708
   57    HG1  THR   9           1HG      THR   9   6.213   5.692   2.525
   58   HG21  THR   9          3HG2      THR   9   4.606   7.447   4.016
   59   HG22  THR   9          1HG2      THR   9   6.175   7.917   3.360
   60   HG23  THR   9          2HG2      THR   9   5.848   8.099   5.084
   61    H    CYS  10           H        CYS  10   7.507   3.849   6.846
   62    HA   CYS  10           HA       CYS  10   5.478   4.504   8.874
   63    HB2  CYS  10           1HB      CYS  10   5.947   1.768   7.676
   64    HB3  CYS  10           2HB      CYS  10   4.698   2.212   8.836
   65    H    SER  11           H        SER  11   7.338   5.219  10.127
   66    HA   SER  11           HA       SER  11   9.330   3.294  10.916
   67    HB2  SER  11           1HB      SER  11   9.081   5.740  12.527
   68    HB3  SER  11           2HB      SER  11  10.478   5.091  11.669
   69    HG   SER  11           HG       SER  11   8.317   6.578  10.564
   70    H    ILE  12           H        ILE  12   7.314   1.922  11.592
   71    HA   ILE  12           HA       ILE  12   6.865   2.371  14.475
   72    HB   ILE  12           HB       ILE  12   5.073   0.607  12.835
   73   HG12  ILE  12          2HG1      ILE  12   4.059   3.319  13.328
   74   HG13  ILE  12          1HG1      ILE  12   5.389   3.255  12.175
   75   HG21  ILE  12          1HG2      ILE  12   4.914   2.037  15.459
   76   HG22  ILE  12          2HG2      ILE  12   3.449   1.522  14.622
   77   HG23  ILE  12          3HG2      ILE  12   4.656   0.328  15.101
   78   HD11  ILE  12          3HD1      ILE  12   3.762   1.212  11.343
   79   HD12  ILE  12          1HD1      ILE  12   2.619   2.446  11.877
   80   HD13  ILE  12          2HD1      ILE  12   3.830   2.834  10.656
   81    H    ASP  13           H        ASP  13   6.959  -0.196  12.035
   82    HA   ASP  13           HA       ASP  13   9.040  -1.644  13.244
   83    HB2  ASP  13           1HB      ASP  13   6.964  -2.076  14.791
   84    HB3  ASP  13           2HB      ASP  13   6.448  -3.144  13.489
   85    H    ASP  14           H        ASP  14   7.405  -4.175  12.316
   86    HA   ASP  14           HA       ASP  14   8.313  -4.038   9.593
   87    HB2  ASP  14           1HB      ASP  14   8.367  -6.117  11.090
   88    HB3  ASP  14           2HB      ASP  14   6.641  -6.260  10.757
   89    H    TYR  15           H        TYR  15   6.842  -2.132   9.341
   90    HA   TYR  15           HA       TYR  15   4.255  -3.031   8.265
   91    HB2  TYR  15           1HB      TYR  15   4.970  -0.565   9.825
   92    HB3  TYR  15           2HB      TYR  15   3.653  -0.504   8.657
   93    HD1  TYR  15           1HD      TYR  15   1.722  -2.121   8.949
   94    HD2  TYR  15           2HD      TYR  15   4.640  -1.454  11.971
   95    HE1  TYR  15           1HE      TYR  15   0.185  -3.049  10.629
   96    HE2  TYR  15           2HE      TYR  15   3.114  -2.379  13.659
   97    HH   TYR  15           HH       TYR  15   0.595  -2.657  13.908
   98    H    LYS  16           H        LYS  16   4.123  -2.792   6.132
   99    HA   LYS  16           HA       LYS  16   6.276  -1.353   4.797
  100    HB2  LYS  16           1HB      LYS  16   4.329  -3.469   3.968
  101    HB3  LYS  16           2HB      LYS  16   5.119  -2.487   2.742
  102    HG2  LYS  16           1HG      LYS  16   6.948  -3.725   2.865
  103    HG3  LYS  16           2HG      LYS  16   7.072  -3.437   4.603
  104    HD2  LYS  16           1HD      LYS  16   4.994  -5.358   3.807
  105    HD3  LYS  16           2HD      LYS  16   6.649  -5.871   3.461
  106    HE2  LYS  16           2HE      LYS  16   6.354  -4.691   6.109
  107    HE3  LYS  16           1HE      LYS  16   5.336  -6.111   5.879
  108    HZ1  LYS  16           3HZ      LYS  16   8.164  -6.216   5.074
  109    HZ2  LYS  16           1HZ      LYS  16   7.139  -7.470   5.578
  110    HZ3  LYS  16           2HZ      LYS  16   7.761  -6.375   6.714
  111    HA   PRO  17           HA       PRO  17   3.492   1.933   3.733
  112    HB2  PRO  17           1HB      PRO  17   5.167   3.316   2.123
  113    HB3  PRO  17           2HB      PRO  17   5.345   3.294   3.879
  114    HG2  PRO  17           1HG      PRO  17   6.891   1.839   1.797
  115    HG3  PRO  17           2HG      PRO  17   7.435   2.508   3.344
  116    HD2  PRO  17           1HD      PRO  17   6.861  -0.170   2.858
  117    HD3  PRO  17           2HD      PRO  17   6.953   0.590   4.457
  118    H    TYR  18           H        TYR  18   1.899   1.076   2.507
  119    HA   TYR  18           HA       TYR  18   2.516   0.272  -0.245
  120    HB2  TYR  18           1HB      TYR  18   0.224  -0.336   1.612
  121    HB3  TYR  18           2HB      TYR  18   0.154  -0.695  -0.110
  122    HD1  TYR  18           1HD      TYR  18   2.426  -1.956  -0.948
  123    HD2  TYR  18           2HD      TYR  18   0.767  -2.106   2.967
  124    HE1  TYR  18           1HE      TYR  18   3.560  -4.102  -0.554
  125    HE2  TYR  18           2HE      TYR  18   1.897  -4.250   3.368
  126    HH   TYR  18           HH       TYR  18   2.800  -6.224   1.523
  127    H    CYS  19           H        CYS  19   1.843   1.406  -1.922
  128    HA   CYS  19           HA       CYS  19   0.331   3.828  -1.562
  129    HB2  CYS  19           1HB      CYS  19   0.932   2.608  -4.235
  130    HB3  CYS  19           2HB      CYS  19   0.881   4.306  -3.777
  131    H    CYS  20           H        CYS  20  -1.761   3.430  -0.996
  132    HA   CYS  20           HA       CYS  20  -3.207   1.345  -2.474
  133    HB2  CYS  20           1HB      CYS  20  -3.067   2.003   0.281
  134    HB3  CYS  20           2HB      CYS  20  -4.710   2.334  -0.258
  135    H    GLN  21           H        GLN  21  -4.455   1.997  -4.044
  136    HA   GLN  21           HA       GLN  21  -5.515   4.686  -4.150
  137    HB2  GLN  21           1HB      GLN  21  -6.620   2.709  -6.029
  138    HB3  GLN  21           2HB      GLN  21  -5.904   4.280  -6.348
  139    HG2  GLN  21           1HG      GLN  21  -4.249   1.882  -5.644
  140    HG3  GLN  21           2HG      GLN  21  -4.737   2.243  -7.299
  141   HE21  GLN  21          1HE2      GLN  21  -2.112   2.243  -5.754
  142   HE22  GLN  21          2HE2      GLN  21  -1.391   3.756  -6.182
  143    H    SER  22           H        SER  22  -7.293   5.247  -3.081
  144    HA   SER  22           HA       SER  22  -9.002   3.247  -1.923
  145    HB2  SER  22           1HB      SER  22 -10.057   5.896  -1.636
  146    HB3  SER  22           2HB      SER  22  -9.316   4.867  -0.409
  147    HG   SER  22           HG       SER  22  -7.334   5.745  -0.860
  148    H    MET  23           H        MET  23 -11.227   2.989  -2.303
  149    HA   MET  23           HA       MET  23 -12.073   3.914  -4.971
  150    HB2  MET  23           1HB      MET  23 -12.599   1.348  -3.480
  151    HB3  MET  23           2HB      MET  23 -13.602   1.850  -4.834
  152    HG2  MET  23           1HG      MET  23 -12.061   1.297  -6.345
  153    HG3  MET  23           2HG      MET  23 -10.735   1.934  -5.375
  154    HE1  MET  23           3HE      MET  23  -9.008   0.556  -5.409
  155    HE2  MET  23           1HE      MET  23  -8.901  -1.156  -5.004
  156    HE3  MET  23           2HE      MET  23  -9.488  -0.661  -6.592
  157    H    SER  24           H        SER  24 -14.759   2.849  -4.522
  158    HA   SER  24           HA       SER  24 -15.848   5.152  -3.135
  159    HB2  SER  24           1HB      SER  24 -17.822   3.300  -4.141
  160    HB3  SER  24           2HB      SER  24 -17.486   4.955  -4.654
  161    HG   SER  24           HG       SER  24 -15.756   4.082  -5.939
  162    H    GLY  25           H        GLY  25 -18.365   3.512  -2.590
  163    HA2  GLY  25           1HA      GLY  25 -17.694   2.781   0.107
  164    HA3  GLY  25           2HA      GLY  25 -19.273   2.645  -0.650
  165    H    SER  26           H        SER  26 -16.055   1.178  -0.990
  166    HA   SER  26           HA       SER  26 -17.356  -1.462  -1.039
  167    HB2  SER  26           1HB      SER  26 -14.772  -1.148  -2.449
  168    HB3  SER  26           2HB      SER  26 -16.191  -2.099  -2.890
  169    HG   SER  26           HG       SER  26 -17.162  -0.286  -3.705
  170    H    ALA  27           H        ALA  27 -16.274  -3.143   0.009
  171    HA   ALA  27           HA       ALA  27 -14.347  -2.310   2.022
  172    HB1  ALA  27           1HB      ALA  27 -16.393  -4.146   2.016
  173    HB2  ALA  27           2HB      ALA  27 -14.957  -5.161   1.879
  174    HB3  ALA  27           3HB      ALA  27 -15.115  -4.037   3.226
  175    H    SER  28           H        SER  28 -13.330  -2.051  -0.504
  176    HA   SER  28           HA       SER  28 -11.266  -4.127  -0.571
  177    HB2  SER  28           1HB      SER  28 -12.314  -2.927  -3.122
  178    HB3  SER  28           2HB      SER  28 -11.427  -4.433  -2.889
  179    HG   SER  28           HG       SER  28 -13.297  -5.277  -1.854
  180    H    LEU  29           H        LEU  29  -9.236  -3.409  -1.242
  181    HA   LEU  29           HA       LEU  29  -8.953  -0.513  -1.642
  182    HB2  LEU  29           1HB      LEU  29  -7.979  -2.084   0.520
  183    HB3  LEU  29           2HB      LEU  29  -6.598  -1.609  -0.448
  184    HG   LEU  29           HG       LEU  29  -7.089   0.722  -0.144
  185   HD11  LEU  29          1HD1      LEU  29  -9.224   0.616   1.756
  186   HD12  LEU  29          2HD1      LEU  29  -9.126   1.503   0.234
  187   HD13  LEU  29          3HD1      LEU  29  -9.727  -0.156   0.252
  188   HD21  LEU  29          3HD2      LEU  29  -5.954  -0.614   1.690
  189   HD22  LEU  29          1HD2      LEU  29  -6.636   0.945   2.153
  190   HD23  LEU  29          2HD2      LEU  29  -7.492  -0.544   2.550
  191    H    GLY  30           H        GLY  30  -6.350  -0.316  -2.271
  192    HA2  GLY  30           1HA      GLY  30  -5.746  -2.297  -4.320
  193    HA3  GLY  30           2HA      GLY  30  -6.109  -0.672  -4.887
  194    H    CYS  31           H        CYS  31  -3.951  -2.567  -2.875
  195    HA   CYS  31           HA       CYS  31  -2.193  -0.270  -2.537
  196    HB2  CYS  31           1HB      CYS  31  -2.638  -2.830  -1.117
  197    HB3  CYS  31           2HB      CYS  31  -0.985  -2.224  -1.126
  198    H    VAL  32           H        VAL  32  -0.157  -0.139  -3.304
  199    HA   VAL  32           HA       VAL  32   1.012  -2.514  -4.584
  200    HB   VAL  32           HB       VAL  32   2.000   0.020  -5.675
  201   HG11  VAL  32          1HG1      VAL  32   0.798  -2.046  -7.397
  202   HG12  VAL  32          2HG1      VAL  32   2.366  -1.247  -7.505
  203   HG13  VAL  32          3HG1      VAL  32   2.128  -2.576  -6.368
  204   HG21  VAL  32          3HG2      VAL  32   0.175   0.865  -6.733
  205   HG22  VAL  32          1HG2      VAL  32  -0.633  -0.699  -6.830
  206   HG23  VAL  32          2HG2      VAL  32  -0.641   0.207  -5.317
  207    H    VAL  33           H        VAL  33   3.393  -2.492  -4.522
  208    HA   VAL  33           HA       VAL  33   4.291  -1.785  -1.937
  209    HB   VAL  33           HB       VAL  33   5.205  -3.724  -3.145
  210   HG11  VAL  33          1HG1      VAL  33   7.116  -2.239  -4.765
  211   HG12  VAL  33          2HG1      VAL  33   6.135  -3.648  -5.172
  212   HG13  VAL  33          3HG1      VAL  33   5.446  -2.029  -5.293
  213   HG21  VAL  33          3HG2      VAL  33   7.748  -2.544  -2.897
  214   HG22  VAL  33          1HG2      VAL  33   6.705  -1.755  -1.713
  215   HG23  VAL  33          2HG2      VAL  33   6.878  -3.510  -1.706
  216    H    GLY  34           H        GLY  34   5.415  -0.074  -1.196
  217    HA2  GLY  34           1HA      GLY  34   5.352   2.384  -2.474
  218    HA3  GLY  34           2HA      GLY  34   6.395   1.987  -1.116
  219    H    VAL  35           H        VAL  35   6.555   3.389  -3.913
  220    HA   VAL  35           HA       VAL  35   8.547   1.972  -5.355
  221    HB   VAL  35           HB       VAL  35   8.478   4.890  -5.748
  222   HG11  VAL  35          1HG1      VAL  35   9.458   3.970  -7.546
  223   HG12  VAL  35          2HG1      VAL  35   8.655   2.416  -7.321
  224   HG13  VAL  35          3HG1      VAL  35   7.799   3.748  -8.101
  225   HG21  VAL  35          3HG2      VAL  35   6.140   4.029  -7.039
  226   HG22  VAL  35          1HG2      VAL  35   6.002   3.481  -5.367
  227   HG23  VAL  35          2HG2      VAL  35   6.275   5.187  -5.717
  228    H    ILE  36           H        ILE  36   8.654   4.020  -2.618
  229    HA   ILE  36           HA       ILE  36  10.331   4.710  -1.258
  230    HB   ILE  36           HB       ILE  36  12.097   2.985  -3.000
  231   HG12  ILE  36          2HG1      ILE  36  10.346   1.705  -1.878
  232   HG13  ILE  36          1HG1      ILE  36  11.915   1.354  -1.165
  233   HG21  ILE  36          1HG2      ILE  36  13.813   3.916  -1.936
  234   HG22  ILE  36          2HG2      ILE  36  12.734   4.831  -0.882
  235   HG23  ILE  36          3HG2      ILE  36  13.202   3.187  -0.449
  236   HD11  ILE  36          3HD1      ILE  36   9.607   2.031   0.182
  237   HD12  ILE  36          1HD1      ILE  36  11.243   2.011   0.842
  238   HD13  ILE  36          2HD1      ILE  36  10.566   3.512   0.211
  239    H    GLY  37           H        GLY  37  10.506   6.845  -1.546
  240    HA2  GLY  37           1HA      GLY  37  11.697   8.766  -2.095
  241    HA3  GLY  37           2HA      GLY  37  12.669   7.812  -3.209
  242    H    SER  38           H        SER  38   9.226   7.617  -3.376
  243    HA   SER  38           HA       SER  38   9.059   9.541  -5.545
  244    HB2  SER  38           1HB      SER  38   8.219   6.690  -6.069
  245    HB3  SER  38           2HB      SER  38   8.403   8.006  -7.231
  246    HG   SER  38           HG       SER  38  10.740   7.817  -6.180
  247    H    GLN  39           H        GLN  39   6.711   9.431  -6.469
  248    HA   GLN  39           HA       GLN  39   4.973   9.748  -4.190
  249    HB2  GLN  39           1HB      GLN  39   3.884   9.926  -6.950
  250    HB3  GLN  39           2HB      GLN  39   3.592  10.957  -5.559
  251    HG2  GLN  39           1HG      GLN  39   4.786  12.402  -6.817
  252    HG3  GLN  39           2HG      GLN  39   6.126  11.610  -5.989
  253   HE21  GLN  39          1HE2      GLN  39   7.656  11.836  -7.541
  254   HE22  GLN  39          2HE2      GLN  39   7.552  11.095  -9.107
  255    H    CYS  40           H        CYS  40   3.279   8.489  -3.609
  256    HA   CYS  40           HA       CYS  40   3.163   5.827  -4.763
  257    HB2  CYS  40           1HB      CYS  40   2.308   7.112  -2.248
  258    HB3  CYS  40           2HB      CYS  40   1.248   5.834  -2.831
  259    H    GLY  41           H        GLY  41   1.507   8.781  -5.058
  260    HA2  GLY  41           1HA      GLY  41  -0.051   9.320  -6.691
  261    HA3  GLY  41           2HA      GLY  41  -0.249   7.608  -7.029
  262    H    ALA  42           H        ALA  42  -0.649   7.465  -3.907
  263    HA   ALA  42           HA       ALA  42  -3.239   8.662  -3.570
  264    HB1  ALA  42           1HB      ALA  42  -4.614   6.882  -3.829
  265    HB2  ALA  42           2HB      ALA  42  -3.352   6.365  -4.948
  266    HB3  ALA  42           3HB      ALA  42  -3.392   5.723  -3.306
  267    H    SER  43           H        SER  43  -4.169   6.882  -1.584
  268    HA   SER  43           HA       SER  43  -2.913   7.938   0.668
  269    HB2  SER  43           1HB      SER  43  -4.439   5.395   0.922
  270    HB3  SER  43           2HB      SER  43  -4.573   6.891   1.848
  271    HG   SER  43           HG       SER  43  -5.761   7.799   0.234
  272    H    VAL  44           H        VAL  44  -1.167   7.396   1.762
  273    HA   VAL  44           HA       VAL  44   0.278   4.969   1.078
  274    HB   VAL  44           HB       VAL  44   1.095   6.989   3.162
  275   HG11  VAL  44          1HG1      VAL  44   2.291   4.819   3.062
  276   HG12  VAL  44          2HG1      VAL  44   2.744   5.180   1.396
  277   HG13  VAL  44          3HG1      VAL  44   3.328   6.202   2.711
  278   HG21  VAL  44          3HG2      VAL  44   0.563   7.795   0.667
  279   HG22  VAL  44          1HG2      VAL  44   1.884   8.461   1.628
  280   HG23  VAL  44          2HG2      VAL  44   2.209   7.206   0.431
  281    H    LYS  45           H        LYS  45  -0.543   3.197   1.984
  282    HA   LYS  45           HA       LYS  45  -1.632   3.317   4.684
  283    HB2  LYS  45           1HB      LYS  45  -1.679   1.180   2.553
  284    HB3  LYS  45           2HB      LYS  45  -2.289   0.914   4.180
  285    HG2  LYS  45           1HG      LYS  45  -3.321   2.875   2.145
  286    HG3  LYS  45           2HG      LYS  45  -4.122   1.421   2.741
  287    HD2  LYS  45           1HD      LYS  45  -3.321   3.544   4.677
  288    HD3  LYS  45           2HD      LYS  45  -4.759   3.782   3.685
  289    HE2  LYS  45           2HE      LYS  45  -5.669   1.659   4.515
  290    HE3  LYS  45           1HE      LYS  45  -4.237   1.447   5.524
  291    HZ1  LYS  45           3HZ      LYS  45  -4.885   3.725   6.471
  292    HZ2  LYS  45           1HZ      LYS  45  -5.785   2.373   6.961
  293    HZ3  LYS  45           2HZ      LYS  45  -6.411   3.425   5.790
  294    H    CYS  46           H        CYS  46  -0.587   2.633   6.415
  295    HA   CYS  46           HA       CYS  46   1.941   1.194   6.087
  296    HB2  CYS  46           1HB      CYS  46   0.633   2.500   8.486
  297    HB3  CYS  46           2HB      CYS  46   2.110   1.547   8.595
  298    H    CYS  47           H        CYS  47   1.109  -0.800   5.431
  299    HA   CYS  47           HA       CYS  47  -0.754  -2.102   7.297
  300    HB2  CYS  47           1HB      CYS  47  -1.162  -1.669   4.684
  301    HB3  CYS  47           2HB      CYS  47  -0.334  -3.220   4.580
  302    H    LYS  48           H        LYS  48  -0.430  -4.188   7.973
  303    HA   LYS  48           HA       LYS  48   2.287  -5.240   7.672
  304    HB2  LYS  48           1HB      LYS  48   1.103  -5.052   9.930
  305    HB3  LYS  48           2HB      LYS  48   0.056  -6.357   9.378
  306    HG2  LYS  48           1HG      LYS  48   2.819  -7.056   8.990
  307    HG3  LYS  48           2HG      LYS  48   2.531  -6.580  10.663
  308    HD2  LYS  48           1HD      LYS  48   1.559  -8.539  11.072
  309    HD3  LYS  48           2HD      LYS  48   0.374  -8.237   9.800
  310    HE2  LYS  48           2HE      LYS  48   1.736  -9.270   8.159
  311    HE3  LYS  48           1HE      LYS  48   3.133  -9.297   9.235
  312    HZ1  LYS  48           3HZ      LYS  48   1.049 -10.677  10.489
  313    HZ2  LYS  48           1HZ      LYS  48   2.518 -11.296   9.910
  314    HZ3  LYS  48           2HZ      LYS  48   1.158 -11.262   8.898
  315    H    ASP  49           H        ASP  49  -1.082  -6.178   7.347
  316    HA   ASP  49           HA       ASP  49  -2.165  -7.835   6.260
  317    HB2  ASP  49           1HB      ASP  49  -1.337  -6.570   4.304
  318    HB3  ASP  49           2HB      ASP  49   0.129  -7.548   4.298
  319    H    ASP  50           H        ASP  50   0.366  -9.296   4.632
  320    HA   ASP  50           HA       ASP  50   1.501 -10.940   6.619
  321    HB2  ASP  50           1HB      ASP  50  -1.046 -11.760   6.109
  322    HB3  ASP  50           2HB      ASP  50  -0.158 -12.681   4.898
  323    H    VAL  51           H        VAL  51   0.516 -10.462   3.305
  324    HA   VAL  51           HA       VAL  51   1.718 -10.286   1.398
  325    HB   VAL  51           HB       VAL  51   4.171 -10.662   3.120
  326   HG11  VAL  51          1HG1      VAL  51   5.033  -9.195   1.066
  327   HG12  VAL  51          2HG1      VAL  51   5.059 -10.959   1.051
  328   HG13  VAL  51          3HG1      VAL  51   3.754 -10.091   0.244
  329   HG21  VAL  51          3HG2      VAL  51   3.929  -7.995   2.278
  330   HG22  VAL  51          1HG2      VAL  51   2.337  -8.464   2.875
  331   HG23  VAL  51          2HG2      VAL  51   3.752  -8.627   3.916
  332    H    THR  52           H        THR  52   1.433 -11.868   0.007
  333    HA   THR  52           HA       THR  52   2.238 -14.574   0.561
  334    HB   THR  52           HB       THR  52   0.222 -14.168  -0.776
  335    HG1  THR  52           1HG      THR  52   0.617 -15.822  -2.098
  336   HG21  THR  52          3HG2      THR  52   1.826 -13.294  -3.129
  337   HG22  THR  52          1HG2      THR  52   1.405 -12.095  -1.906
  338   HG23  THR  52          2HG2      THR  52   0.133 -12.989  -2.739
  339    H    ASN  53           H        ASN  53   3.823 -15.745  -0.695
  340    HA   ASN  53           HA       ASN  53   6.177 -14.123  -1.046
  341    HB2  ASN  53           1HB      ASN  53   7.338 -16.016  -0.640
  342    HB3  ASN  53           2HB      ASN  53   5.783 -16.652  -0.124
  343   HD21  ASN  53          1HD2      ASN  53   8.415 -17.395  -1.811
  344   HD22  ASN  53          2HD2      ASN  53   7.750 -18.508  -2.962
  345    H    THR  54           H        THR  54   3.694 -15.091  -3.052
  346    HA   THR  54           HA       THR  54   5.289 -15.135  -5.480
  347    HB   THR  54           HB       THR  54   2.310 -14.962  -5.528
  348    HG1  THR  54           1HG      THR  54   3.749 -16.852  -4.154
  349   HG21  THR  54          3HG2      THR  54   4.213 -15.378  -7.436
  350   HG22  THR  54          1HG2      THR  54   2.533 -15.891  -7.574
  351   HG23  THR  54          2HG2      THR  54   3.761 -17.034  -7.025
  352    H    GLY  55           H        GLY  55   5.847 -13.331  -6.518
  353    HA2  GLY  55           1HA      GLY  55   4.875 -10.774  -5.641
  354    HA3  GLY  55           2HA      GLY  55   6.064 -11.065  -6.900
  355    H    ASN  56           H        ASN  56   3.986  -9.146  -6.985
  356    HA   ASN  56           HA       ASN  56   2.866  -9.791  -9.545
  357    HB2  ASN  56           1HB      ASN  56   1.290 -10.656  -7.564
  358    HB3  ASN  56           2HB      ASN  56   0.786  -8.970  -7.565
  359   HD21  ASN  56          1HD2      ASN  56  -0.242 -11.776  -8.543
  360   HD22  ASN  56          2HD2      ASN  56  -0.964 -11.390 -10.065
  361    H    SER  57           H        SER  57   1.553  -7.873 -10.363
  362    HA   SER  57           HA       SER  57   3.016  -5.466  -9.782
  363    HB2  SER  57           1HB      SER  57   0.906  -4.789 -11.462
  364    HB3  SER  57           2HB      SER  57   2.535  -5.241 -11.967
  365    HG   SER  57           HG       SER  57   0.171  -6.673 -12.085
  366    H    PHE  58           H        PHE  58   0.255  -6.930  -8.528
  367    HA   PHE  58           HA       PHE  58  -0.565  -4.420  -7.261
  368    HB2  PHE  58           1HB      PHE  58  -2.029  -5.457  -9.281
  369    HB3  PHE  58           2HB      PHE  58  -2.733  -6.323  -7.920
  370    HD1  PHE  58           2HD      PHE  58  -1.578  -2.825  -8.537
  371    HD2  PHE  58           1HD      PHE  58  -4.681  -5.397  -7.177
  372    HE1  PHE  58           2HE      PHE  58  -2.965  -0.863  -8.021
  373    HE2  PHE  58           1HE      PHE  58  -6.079  -3.440  -6.655
  374    HZ   PHE  58           HZ       PHE  58  -5.221  -1.170  -7.076
  375    H    LEU  59           H        LEU  59  -0.943  -4.589  -5.140
  376    HA   LEU  59           HA       LEU  59  -1.156  -7.291  -3.977
  377    HB2  LEU  59           1HB      LEU  59   0.061  -4.794  -2.781
  378    HB3  LEU  59           2HB      LEU  59  -0.163  -6.307  -1.924
  379    HG   LEU  59           HG       LEU  59   1.318  -6.697  -4.388
  380   HD11  LEU  59          1HD1      LEU  59   2.714  -4.978  -4.354
  381   HD12  LEU  59          2HD1      LEU  59   1.938  -4.331  -2.907
  382   HD13  LEU  59          3HD1      LEU  59   3.258  -5.489  -2.756
  383   HD21  LEU  59          3HD2      LEU  59   2.904  -7.747  -2.774
  384   HD22  LEU  59          1HD2      LEU  59   1.846  -7.217  -1.468
  385   HD23  LEU  59          2HD2      LEU  59   1.255  -8.365  -2.670
  386    H    ILE  60           H        ILE  60  -3.366  -7.423  -3.894
  387    HA   ILE  60           HA       ILE  60  -4.954  -5.136  -3.163
  388    HB   ILE  60           HB       ILE  60  -6.164  -7.855  -3.327
  389   HG12  ILE  60          2HG1      ILE  60  -5.340  -6.285  -5.777
  390   HG13  ILE  60          1HG1      ILE  60  -4.457  -7.684  -5.173
  391   HG21  ILE  60          1HG2      ILE  60  -7.195  -5.370  -3.057
  392   HG22  ILE  60          2HG2      ILE  60  -7.249  -5.558  -4.809
  393   HG23  ILE  60          3HG2      ILE  60  -8.064  -6.729  -3.770
  394   HD11  ILE  60          3HD1      ILE  60  -6.830  -7.558  -6.802
  395   HD12  ILE  60          1HD1      ILE  60  -5.750  -8.914  -6.477
  396   HD13  ILE  60          2HD1      ILE  60  -7.076  -8.559  -5.371
  397    H    ILE  61           H        ILE  61  -3.815  -5.005  -1.044
  398    HA   ILE  61           HA       ILE  61  -4.736  -6.800   1.032
  399    HB   ILE  61           HB       ILE  61  -3.328  -4.141   1.367
  400   HG12  ILE  61          2HG1      ILE  61  -1.607  -6.417   1.729
  401   HG13  ILE  61          1HG1      ILE  61  -2.330  -6.470   0.122
  402   HG21  ILE  61          1HG2      ILE  61  -4.483  -5.759   3.248
  403   HG22  ILE  61          2HG2      ILE  61  -2.800  -6.284   3.273
  404   HG23  ILE  61          3HG2      ILE  61  -3.199  -4.590   3.551
  405   HD11  ILE  61          3HD1      ILE  61  -0.082  -5.140   0.701
  406   HD12  ILE  61          1HD1      ILE  61  -1.191  -4.669  -0.589
  407   HD13  ILE  61          2HD1      ILE  61  -1.267  -3.864   0.979
  408    H    ASN  62           H        ASN  62  -6.105  -6.135   2.775
  409    HA   ASN  62           HA       ASN  62  -8.027  -4.067   1.986
  410    HB2  ASN  62           1HB      ASN  62  -8.570  -6.587   2.697
  411    HB3  ASN  62           2HB      ASN  62  -8.554  -5.866   4.302
  412   HD21  ASN  62          1HD2      ASN  62 -10.808  -7.014   3.079
  413   HD22  ASN  62          2HD2      ASN  62 -11.980  -5.760   2.837
  414    H    ALA  63           H        ALA  63  -8.913  -2.707   3.719
  415    HA   ALA  63           HA       ALA  63  -6.776  -1.566   5.271
  416    HB1  ALA  63           1HB      ALA  63  -8.871  -0.457   4.051
  417    HB2  ALA  63           2HB      ALA  63  -9.559  -0.634   5.666
  418    HB3  ALA  63           3HB      ALA  63  -8.073   0.288   5.434
  419    H    ALA  64           H        ALA  64  -6.952  -3.997   6.230
  420    HA   ALA  64           HA       ALA  64  -8.525  -3.829   8.716
  421    HB1  ALA  64           1HB      ALA  64  -9.259  -5.883   8.311
  422    HB2  ALA  64           2HB      ALA  64  -8.417  -5.853   6.761
  423    HB3  ALA  64           3HB      ALA  64  -7.606  -6.486   8.194
  424    H    ASN  65           H        ASN  65  -5.419  -4.854   7.339
  425    HA   ASN  65           HA       ASN  65  -4.329  -5.084  10.060
  426    HB2  ASN  65           1HB      ASN  65  -2.671  -5.904   7.747
  427    HB3  ASN  65           2HB      ASN  65  -2.878  -6.678   9.314
  428   HD21  ASN  65          1HD2      ASN  65  -3.575  -6.792   6.065
  429   HD22  ASN  65          2HD2      ASN  65  -4.792  -8.015   6.104
  430    H    CYS  66           H        CYS  66  -4.731  -2.665   8.165
  431    HA   CYS  66           HA       CYS  66  -1.981  -1.641   8.312
  432    HB2  CYS  66           1HB      CYS  66  -4.065  -0.019   6.974
  433    HB3  CYS  66           2HB      CYS  66  -2.398  -0.323   6.502
  434    H    VAL  67           H        VAL  67  -1.484  -0.271   9.883
  435    HA   VAL  67           HA       VAL  67  -3.527   0.519  11.749
  436    HB   VAL  67           HB       VAL  67  -1.569   1.641  12.940
  437   HG11  VAL  67          1HG1      VAL  67  -1.977  -0.288  14.013
  438   HG12  VAL  67          2HG1      VAL  67  -2.087  -1.216  12.519
  439   HG13  VAL  67          3HG1      VAL  67  -0.508  -0.844  13.210
  440   HG21  VAL  67          3HG2      VAL  67   0.092   0.041  11.002
  441   HG22  VAL  67          1HG2      VAL  67  -0.171   1.778  10.847
  442   HG23  VAL  67          2HG2      VAL  67   0.650   1.135  12.268
  443    H    ALA  68           H        ALA  68  -1.991   1.926   9.055
  444    HA   ALA  68           HA       ALA  68  -3.424   4.419   9.512
  445    HB1  ALA  68           1HB      ALA  68  -0.458   4.165   9.226
  446    HB2  ALA  68           2HB      ALA  68  -1.280   5.582   8.573
  447    HB3  ALA  68           3HB      ALA  68  -1.395   5.211  10.294
  Start of MODEL   10
    1    H1   SER   1           1H       SER   1  -3.742  12.264  -5.428
    2    H2   SER   1           2H       SER   1  -4.492  13.776  -5.545
    3    H3   SER   1           3H       SER   1  -4.662  12.854  -4.134
    4    HA   SER   1           HA       SER   1  -2.705  14.748  -4.762
    5    HB2  SER   1           1HB      SER   1  -2.249  13.229  -2.329
    6    HB3  SER   1           2HB      SER   1  -2.759  14.907  -2.517
    7    HG   SER   1           HG       SER   1  -4.374  13.728  -1.465
    8    H    ALA   2           H        ALA   2  -0.582  14.612  -5.187
    9    HA   ALA   2           HA       ALA   2   0.506  11.937  -5.664
   10    HB1  ALA   2           1HB      ALA   2   1.550  14.643  -6.496
   11    HB2  ALA   2           2HB      ALA   2   2.261  13.088  -6.932
   12    HB3  ALA   2           3HB      ALA   2   0.651  13.516  -7.513
   13    H    THR   3           H        THR   3   0.930  11.352  -3.521
   14    HA   THR   3           HA       THR   3   2.596  13.001  -1.854
   15    HB   THR   3           HB       THR   3   2.523  10.283  -0.952
   16    HG1  THR   3           1HG      THR   3   0.664  10.035  -2.252
   17   HG21  THR   3          3HG2      THR   3   2.077  12.928   0.008
   18   HG22  THR   3          1HG2      THR   3   2.366  11.453   0.932
   19   HG23  THR   3          2HG2      THR   3   0.720  11.914   0.500
   20    H    THR   4           H        THR   4   4.729  12.990  -1.741
   21    HA   THR   4           HA       THR   4   6.204  11.058  -3.368
   22    HB   THR   4           HB       THR   4   7.847  13.110  -2.169
   23    HG1  THR   4           1HG      THR   4   5.531  13.949  -3.618
   24   HG21  THR   4          3HG2      THR   4   7.067  12.481  -5.017
   25   HG22  THR   4          1HG2      THR   4   8.481  11.873  -4.157
   26   HG23  THR   4          2HG2      THR   4   8.356  13.589  -4.547
   27    H    ILE   5           H        ILE   5   7.103   9.374  -2.378
   28    HA   ILE   5           HA       ILE   5   7.640   9.574   0.503
   29    HB   ILE   5           HB       ILE   5   7.556   7.185   0.619
   30   HG12  ILE   5          2HG1      ILE   5   6.937   6.938  -2.307
   31   HG13  ILE   5          1HG1      ILE   5   8.612   6.990  -1.770
   32   HG21  ILE   5          1HG2      ILE   5   5.406   8.275   0.690
   33   HG22  ILE   5          2HG2      ILE   5   5.296   8.247  -1.070
   34   HG23  ILE   5          3HG2      ILE   5   5.257   6.737  -0.159
   35   HD11  ILE   5          3HD1      ILE   5   6.631   4.854  -1.569
   36   HD12  ILE   5          1HD1      ILE   5   8.392   4.778  -1.632
   37   HD13  ILE   5          2HD1      ILE   5   7.577   5.119  -0.104
   38    H    GLY   6           H        GLY   6   9.578   8.413   1.292
   39    HA2  GLY   6           1HA      GLY   6  11.854   9.030  -0.447
   40    HA3  GLY   6           2HA      GLY   6  11.927   8.726   1.284
   41    HA   PRO   7           HA       PRO   7  13.306   4.757  -0.487
   42    HB2  PRO   7           1HB      PRO   7  15.028   4.542   1.827
   43    HB3  PRO   7           2HB      PRO   7  15.485   4.709   0.134
   44    HG2  PRO   7           1HG      PRO   7  15.900   6.649   2.019
   45    HG3  PRO   7           2HG      PRO   7  15.719   6.974   0.285
   46    HD2  PRO   7           1HD      PRO   7  13.714   7.256   2.491
   47    HD3  PRO   7           2HD      PRO   7  14.001   8.303   1.084
   48    H    ASN   8           H        ASN   8  12.591   5.653   2.824
   49    HA   ASN   8           HA       ASN   8  10.734   3.426   2.974
   50    HB2  ASN   8           1HB      ASN   8  12.899   2.711   4.096
   51    HB3  ASN   8           2HB      ASN   8  12.626   4.001   5.268
   52   HD21  ASN   8          1HD2      ASN   8  12.445   0.840   5.006
   53   HD22  ASN   8          2HD2      ASN   8  11.042   0.499   5.979
   54    H    THR   9           H        THR   9   8.848   4.238   3.579
   55    HA   THR   9           HA       THR   9   8.846   6.627   5.302
   56    HB   THR   9           HB       THR   9   6.634   6.212   3.338
   57    HG1  THR   9           1HG      THR   9   9.175   6.346   2.604
   58   HG21  THR   9          3HG2      THR   9   6.395   8.553   3.485
   59   HG22  THR   9          1HG2      THR   9   8.021   8.761   4.132
   60   HG23  THR   9          2HG2      THR   9   6.761   8.041   5.133
   61    H    CYS  10           H        CYS  10   8.769   4.107   6.358
   62    HA   CYS  10           HA       CYS  10   6.272   4.188   7.780
   63    HB2  CYS  10           1HB      CYS  10   5.712   2.817   5.759
   64    HB3  CYS  10           2HB      CYS  10   6.952   1.667   6.249
   65    H    SER  11           H        SER  11   7.905   4.683   9.378
   66    HA   SER  11           HA       SER  11   9.431   2.339  10.273
   67    HB2  SER  11           1HB      SER  11  10.456   4.407  11.710
   68    HB3  SER  11           2HB      SER  11  11.091   3.880  10.151
   69    HG   SER  11           HG       SER  11  10.122   5.546   9.153
   70    H    ILE  12           H        ILE  12   6.694   2.471  10.830
   71    HA   ILE  12           HA       ILE  12   6.274   3.572  13.460
   72    HB   ILE  12           HB       ILE  12   4.529   1.710  11.832
   73   HG12  ILE  12          2HG1      ILE  12   4.882   3.864  10.717
   74   HG13  ILE  12          1HG1      ILE  12   3.228   3.728  11.303
   75   HG21  ILE  12          1HG2      ILE  12   3.615   3.444  14.103
   76   HG22  ILE  12          2HG2      ILE  12   2.783   2.091  13.339
   77   HG23  ILE  12          3HG2      ILE  12   4.188   1.797  14.365
   78   HD11  ILE  12          3HD1      ILE  12   4.459   5.949  11.616
   79   HD12  ILE  12          1HD1      ILE  12   3.578   5.288  12.994
   80   HD13  ILE  12          2HD1      ILE  12   5.331   5.125  12.908
   81    H    ASP  13           H        ASP  13   6.388   0.324  12.059
   82    HA   ASP  13           HA       ASP  13   7.787  -0.835  14.226
   83    HB2  ASP  13           1HB      ASP  13   5.396  -0.489  15.170
   84    HB3  ASP  13           2HB      ASP  13   4.921  -1.779  14.073
   85    H    ASP  14           H        ASP  14   5.756  -3.243  13.477
   86    HA   ASP  14           HA       ASP  14   7.307  -4.043  11.142
   87    HB2  ASP  14           1HB      ASP  14   6.984  -5.657  13.020
   88    HB3  ASP  14           2HB      ASP  14   5.254  -5.641  12.686
   89    H    TYR  15           H        TYR  15   6.137  -2.196  10.084
   90    HA   TYR  15           HA       TYR  15   3.765  -3.269   8.727
   91    HB2  TYR  15           1HB      TYR  15   4.169  -0.407   9.646
   92    HB3  TYR  15           2HB      TYR  15   2.878  -0.936   8.575
   93    HD1  TYR  15           2HD      TYR  15   4.130  -0.948  12.015
   94    HD2  TYR  15           1HD      TYR  15   0.982  -2.193   9.434
   95    HE1  TYR  15           2HE      TYR  15   2.720  -1.430  13.972
   96    HE2  TYR  15           1HE      TYR  15  -0.431  -2.680  11.382
   97    HH   TYR  15           HH       TYR  15   0.792  -2.832  14.551
   98    H    LYS  16           H        LYS  16   3.557  -2.540   6.527
   99    HA   LYS  16           HA       LYS  16   6.119  -1.593   5.421
  100    HB2  LYS  16           1HB      LYS  16   4.065  -3.524   4.395
  101    HB3  LYS  16           2HB      LYS  16   5.120  -2.681   3.271
  102    HG2  LYS  16           1HG      LYS  16   6.887  -3.638   5.134
  103    HG3  LYS  16           2HG      LYS  16   5.678  -4.919   5.045
  104    HD2  LYS  16           1HD      LYS  16   6.003  -4.417   2.426
  105    HD3  LYS  16           2HD      LYS  16   7.610  -3.984   3.016
  106    HE2  LYS  16           2HE      LYS  16   6.230  -6.583   3.652
  107    HE3  LYS  16           1HE      LYS  16   7.343  -6.373   2.301
  108    HZ1  LYS  16           3HZ      LYS  16   9.036  -6.678   3.669
  109    HZ2  LYS  16           1HZ      LYS  16   7.957  -6.959   4.951
  110    HZ3  LYS  16           2HZ      LYS  16   8.539  -5.393   4.654
  111    HA   PRO  17           HA       PRO  17   3.888   1.904   3.924
  112    HB2  PRO  17           1HB      PRO  17   5.640   2.829   2.094
  113    HB3  PRO  17           2HB      PRO  17   5.951   2.925   3.830
  114    HG2  PRO  17           1HG      PRO  17   7.039   1.032   1.805
  115    HG3  PRO  17           2HG      PRO  17   7.835   1.756   3.213
  116    HD2  PRO  17           1HD      PRO  17   6.806  -0.820   3.119
  117    HD3  PRO  17           2HD      PRO  17   7.126   0.096   4.604
  118    H    TYR  18           H        TYR  18   2.090   1.094   2.916
  119    HA   TYR  18           HA       TYR  18   2.375   0.280   0.103
  120    HB2  TYR  18           1HB      TYR  18   0.366  -0.372   2.238
  121    HB3  TYR  18           2HB      TYR  18  -0.081  -0.499   0.540
  122    HD1  TYR  18           2HD      TYR  18   1.035  -2.144  -0.912
  123    HD2  TYR  18           1HD      TYR  18   1.828  -1.962   3.259
  124    HE1  TYR  18           2HE      TYR  18   2.050  -4.378  -1.017
  125    HE2  TYR  18           1HE      TYR  18   2.849  -4.193   3.172
  126    HH   TYR  18           HH       TYR  18   2.388  -6.347   0.945
  127    H    CYS  19           H        CYS  19   1.961   1.869  -1.285
  128    HA   CYS  19           HA       CYS  19   0.246   4.080  -0.588
  129    HB2  CYS  19           1HB      CYS  19   1.350   3.356  -3.313
  130    HB3  CYS  19           2HB      CYS  19   0.748   4.928  -2.792
  131    H    CYS  20           H        CYS  20  -1.729   3.216  -0.154
  132    HA   CYS  20           HA       CYS  20  -2.843   1.273  -2.016
  133    HB2  CYS  20           1HB      CYS  20  -2.729   0.941   0.525
  134    HB3  CYS  20           2HB      CYS  20  -4.050   2.104   0.607
  135    H    GLN  21           H        GLN  21  -4.257   1.817  -3.472
  136    HA   GLN  21           HA       GLN  21  -5.572   4.390  -3.403
  137    HB2  GLN  21           1HB      GLN  21  -6.192   2.212  -5.376
  138    HB3  GLN  21           2HB      GLN  21  -6.251   3.954  -5.604
  139    HG2  GLN  21           1HG      GLN  21  -3.702   3.868  -5.284
  140    HG3  GLN  21           2HG      GLN  21  -3.877   2.137  -5.576
  141   HE21  GLN  21          1HE2      GLN  21  -4.159   1.424  -7.619
  142   HE22  GLN  21          2HE2      GLN  21  -4.251   2.448  -9.013
  143    H    SER  22           H        SER  22  -7.050   4.394  -1.764
  144    HA   SER  22           HA       SER  22  -8.963   2.280  -1.456
  145    HB2  SER  22           1HB      SER  22  -9.681   4.878  -0.302
  146    HB3  SER  22           2HB      SER  22  -9.463   3.318   0.490
  147    HG   SER  22           HG       SER  22  -7.724   5.418   0.247
  148    H    MET  23           H        MET  23 -10.341   1.956  -3.072
  149    HA   MET  23           HA       MET  23 -11.098   4.117  -4.831
  150    HB2  MET  23           1HB      MET  23 -11.818   1.184  -4.844
  151    HB3  MET  23           2HB      MET  23 -12.286   2.329  -6.092
  152    HG2  MET  23           1HG      MET  23 -10.102   2.591  -6.848
  153    HG3  MET  23           2HG      MET  23  -9.411   1.929  -5.367
  154    HE1  MET  23           3HE      MET  23 -12.303   0.925  -7.532
  155    HE2  MET  23           1HE      MET  23 -11.225   0.684  -8.908
  156    HE3  MET  23           2HE      MET  23 -11.944  -0.707  -8.095
  157    H    SER  24           H        SER  24 -12.068   4.142  -2.077
  158    HA   SER  24           HA       SER  24 -13.980   4.386  -0.831
  159    HB2  SER  24           1HB      SER  24 -15.433   5.972  -2.700
  160    HB3  SER  24           2HB      SER  24 -14.444   6.509  -1.345
  161    HG   SER  24           HG       SER  24 -13.648   6.058  -4.032
  162    H    GLY  25           H        GLY  25 -14.756   2.159  -0.948
  163    HA2  GLY  25           1HA      GLY  25 -17.432   1.942  -1.514
  164    HA3  GLY  25           2HA      GLY  25 -16.627   1.428  -2.985
  165    H    SER  26           H        SER  26 -16.381  -0.666  -3.156
  166    HA   SER  26           HA       SER  26 -17.111  -2.323  -0.912
  167    HB2  SER  26           1HB      SER  26 -16.417  -3.772  -3.315
  168    HB3  SER  26           2HB      SER  26 -17.983  -3.617  -2.517
  169    HG   SER  26           HG       SER  26 -18.201  -2.692  -4.520
  170    H    ALA  27           H        ALA  27 -14.942  -1.616   0.099
  171    HA   ALA  27           HA       ALA  27 -12.935  -2.257   0.962
  172    HB1  ALA  27           1HB      ALA  27 -12.831  -4.992   0.119
  173    HB2  ALA  27           2HB      ALA  27 -13.139  -4.331   1.725
  174    HB3  ALA  27           3HB      ALA  27 -14.476  -4.580   0.605
  175    H    SER  28           H        SER  28 -13.065  -1.370  -1.857
  176    HA   SER  28           HA       SER  28 -11.112  -2.887  -3.299
  177    HB2  SER  28           1HB      SER  28 -11.668  -0.178  -4.258
  178    HB3  SER  28           2HB      SER  28 -11.895  -1.729  -5.070
  179    HG   SER  28           HG       SER  28 -13.844  -1.978  -3.947
  180    H    LEU  29           H        LEU  29  -9.366  -2.834  -1.815
  181    HA   LEU  29           HA       LEU  29  -7.971  -0.253  -1.653
  182    HB2  LEU  29           1HB      LEU  29  -7.802  -2.742   0.034
  183    HB3  LEU  29           2HB      LEU  29  -6.587  -1.481   0.104
  184    HG   LEU  29           HG       LEU  29  -9.422  -1.422   1.057
  185   HD11  LEU  29          1HD1      LEU  29  -8.479  -0.742   3.080
  186   HD12  LEU  29          2HD1      LEU  29  -7.344  -1.945   2.467
  187   HD13  LEU  29          3HD1      LEU  29  -6.977  -0.226   2.316
  188   HD21  LEU  29          3HD2      LEU  29  -9.195   1.043   1.319
  189   HD22  LEU  29          1HD2      LEU  29  -7.772   0.978   0.278
  190   HD23  LEU  29          2HD2      LEU  29  -9.351   0.512  -0.356
  191    H    GLY  30           H        GLY  30  -6.846  -0.176  -3.529
  192    HA2  GLY  30           1HA      GLY  30  -5.205  -2.490  -4.293
  193    HA3  GLY  30           2HA      GLY  30  -5.527  -1.075  -5.291
  194    H    CYS  31           H        CYS  31  -3.599  -2.388  -2.706
  195    HA   CYS  31           HA       CYS  31  -2.164   0.148  -2.423
  196    HB2  CYS  31           1HB      CYS  31  -1.431  -2.162  -0.723
  197    HB3  CYS  31           2HB      CYS  31  -1.646  -0.467  -0.297
  198    H    VAL  32           H        VAL  32  -0.410   0.460  -3.573
  199    HA   VAL  32           HA       VAL  32   1.134  -1.850  -4.505
  200    HB   VAL  32           HB       VAL  32   1.882   0.943  -5.245
  201   HG11  VAL  32          1HG1      VAL  32   3.306  -0.586  -6.210
  202   HG12  VAL  32          2HG1      VAL  32   2.031  -1.776  -6.465
  203   HG13  VAL  32          3HG1      VAL  32   2.119  -0.345  -7.492
  204   HG21  VAL  32          3HG2      VAL  32   0.005   1.461  -6.310
  205   HG22  VAL  32          1HG2      VAL  32   0.000  -0.089  -7.151
  206   HG23  VAL  32          2HG2      VAL  32  -0.758   0.056  -5.565
  207    H    VAL  33           H        VAL  33   3.232  -2.204  -3.906
  208    HA   VAL  33           HA       VAL  33   4.083  -1.277  -1.393
  209    HB   VAL  33           HB       VAL  33   6.406  -2.176  -2.580
  210   HG11  VAL  33          1HG1      VAL  33   5.308  -2.807  -0.405
  211   HG12  VAL  33          2HG1      VAL  33   4.361  -3.981  -1.320
  212   HG13  VAL  33          3HG1      VAL  33   6.119  -4.116  -1.265
  213   HG21  VAL  33          3HG2      VAL  33   6.046  -3.683  -4.219
  214   HG22  VAL  33          1HG2      VAL  33   4.505  -4.212  -3.542
  215   HG23  VAL  33          2HG2      VAL  33   4.588  -2.733  -4.500
  216    H    GLY  34           H        GLY  34   5.040   0.542  -0.820
  217    HA2  GLY  34           1HA      GLY  34   5.959   2.440  -2.770
  218    HA3  GLY  34           2HA      GLY  34   6.040   2.614  -1.021
  219    H    VAL  35           H        VAL  35   7.917   2.553  -3.632
  220    HA   VAL  35           HA       VAL  35  10.005   0.833  -2.533
  221    HB   VAL  35           HB       VAL  35  10.496   2.303  -5.064
  222   HG11  VAL  35          1HG1      VAL  35  12.131   0.807  -5.077
  223   HG12  VAL  35          2HG1      VAL  35  11.444  -0.023  -3.681
  224   HG13  VAL  35          3HG1      VAL  35  10.924  -0.458  -5.310
  225   HG21  VAL  35          3HG2      VAL  35   8.184   0.515  -4.674
  226   HG22  VAL  35          1HG2      VAL  35   8.470   1.760  -5.891
  227   HG23  VAL  35          2HG2      VAL  35   9.197   0.164  -6.076
  228    H    ILE  36           H        ILE  36  11.192   3.334  -4.489
  229    HA   ILE  36           HA       ILE  36  11.984   4.932  -2.162
  230    HB   ILE  36           HB       ILE  36  13.890   3.946  -4.297
  231   HG12  ILE  36          2HG1      ILE  36  13.926   3.380  -1.326
  232   HG13  ILE  36          1HG1      ILE  36  13.207   2.294  -2.508
  233   HG21  ILE  36          1HG2      ILE  36  14.730   6.028  -3.803
  234   HG22  ILE  36          2HG2      ILE  36  14.134   5.999  -2.144
  235   HG23  ILE  36          3HG2      ILE  36  15.546   5.041  -2.592
  236   HD11  ILE  36          3HD1      ILE  36  15.709   2.054  -1.634
  237   HD12  ILE  36          1HD1      ILE  36  15.206   1.564  -3.252
  238   HD13  ILE  36          2HD1      ILE  36  15.992   3.124  -3.007
  239    H    GLY  37           H        GLY  37  11.179   6.882  -2.555
  240    HA2  GLY  37           1HA      GLY  37  10.872   8.911  -3.612
  241    HA3  GLY  37           2HA      GLY  37  11.956   8.363  -4.883
  242    H    SER  38           H        SER  38   9.073   6.664  -3.877
  243    HA   SER  38           HA       SER  38   8.111   6.664  -6.583
  244    HB2  SER  38           1HB      SER  38   6.537   5.569  -4.286
  245    HB3  SER  38           2HB      SER  38   6.721   4.931  -5.921
  246    HG   SER  38           HG       SER  38   8.967   4.503  -5.313
  247    H    GLN  39           H        GLN  39   6.383   7.696  -7.405
  248    HA   GLN  39           HA       GLN  39   5.144   9.806  -5.818
  249    HB2  GLN  39           1HB      GLN  39   5.790   9.418  -8.577
  250    HB3  GLN  39           2HB      GLN  39   4.055   9.655  -8.441
  251    HG2  GLN  39           1HG      GLN  39   4.496  11.733  -7.157
  252    HG3  GLN  39           2HG      GLN  39   6.216  11.510  -7.478
  253   HE21  GLN  39          1HE2      GLN  39   5.599  13.751  -8.369
  254   HE22  GLN  39          2HE2      GLN  39   5.224  13.794 -10.063
  255    H    CYS  40           H        CYS  40   3.626   8.911  -4.514
  256    HA   CYS  40           HA       CYS  40   1.859   6.868  -5.635
  257    HB2  CYS  40           1HB      CYS  40   2.217   7.788  -2.777
  258    HB3  CYS  40           2HB      CYS  40   1.208   6.441  -3.300
  259    H    GLY  41           H        GLY  41   0.096   7.612  -6.592
  260    HA2  GLY  41           1HA      GLY  41  -1.104  10.132  -5.774
  261    HA3  GLY  41           2HA      GLY  41  -1.599   9.130  -7.133
  262    H    ALA  42           H        ALA  42  -1.182   8.183  -3.775
  263    HA   ALA  42           HA       ALA  42  -3.989   8.020  -3.226
  264    HB1  ALA  42           1HB      ALA  42  -4.132   6.040  -4.376
  265    HB2  ALA  42           2HB      ALA  42  -2.452   5.609  -4.060
  266    HB3  ALA  42           3HB      ALA  42  -3.659   5.443  -2.786
  267    H    SER  43           H        SER  43  -4.255   6.740  -1.054
  268    HA   SER  43           HA       SER  43  -2.578   8.058   0.813
  269    HB2  SER  43           1HB      SER  43  -4.079   5.969   2.058
  270    HB3  SER  43           2HB      SER  43  -4.379   7.707   2.093
  271    HG   SER  43           HG       SER  43  -5.842   7.516   0.552
  272    H    VAL  44           H        VAL  44  -0.525   7.438   1.078
  273    HA   VAL  44           HA       VAL  44   0.283   4.685   0.982
  274    HB   VAL  44           HB       VAL  44   1.946   6.220   0.285
  275   HG11  VAL  44          1HG1      VAL  44   2.689   7.772   2.478
  276   HG12  VAL  44          2HG1      VAL  44   1.890   8.316   1.003
  277   HG13  VAL  44          3HG1      VAL  44   0.929   7.869   2.414
  278   HG21  VAL  44          3HG2      VAL  44   3.710   5.986   2.202
  279   HG22  VAL  44          1HG2      VAL  44   2.478   4.957   2.932
  280   HG23  VAL  44          2HG2      VAL  44   3.129   4.561   1.341
  281    H    LYS  45           H        LYS  45  -0.322   3.347   2.526
  282    HA   LYS  45           HA       LYS  45  -0.527   4.367   5.284
  283    HB2  LYS  45           1HB      LYS  45  -1.958   1.927   4.258
  284    HB3  LYS  45           2HB      LYS  45  -2.324   2.896   5.680
  285    HG2  LYS  45           1HG      LYS  45  -3.500   4.429   4.499
  286    HG3  LYS  45           2HG      LYS  45  -2.498   4.252   3.057
  287    HD2  LYS  45           1HD      LYS  45  -3.635   2.335   2.354
  288    HD3  LYS  45           2HD      LYS  45  -4.325   2.046   3.952
  289    HE2  LYS  45           2HE      LYS  45  -5.270   4.550   3.290
  290    HE3  LYS  45           1HE      LYS  45  -5.312   3.681   1.757
  291    HZ1  LYS  45           3HZ      LYS  45  -6.814   2.162   2.560
  292    HZ2  LYS  45           1HZ      LYS  45  -7.321   3.564   3.361
  293    HZ3  LYS  45           2HZ      LYS  45  -6.393   2.404   4.185
  294    H    CYS  46           H        CYS  46  -0.006   2.882   6.991
  295    HA   CYS  46           HA       CYS  46   2.142   1.046   6.236
  296    HB2  CYS  46           1HB      CYS  46   1.357   2.437   8.778
  297    HB3  CYS  46           2HB      CYS  46   2.384   1.008   8.840
  298    H    CYS  47           H        CYS  47   1.112  -0.783   5.555
  299    HA   CYS  47           HA       CYS  47  -0.840  -1.987   7.397
  300    HB2  CYS  47           1HB      CYS  47  -0.424  -3.021   4.623
  301    HB3  CYS  47           2HB      CYS  47  -1.887  -2.999   5.599
  302    H    LYS  48           H        LYS  48  -0.551  -4.028   8.202
  303    HA   LYS  48           HA       LYS  48   2.048  -5.268   7.764
  304    HB2  LYS  48           1HB      LYS  48   0.718  -5.039  10.052
  305    HB3  LYS  48           2HB      LYS  48  -0.045  -6.521   9.491
  306    HG2  LYS  48           1HG      LYS  48   2.695  -6.901   9.101
  307    HG3  LYS  48           2HG      LYS  48   2.542  -6.134  10.681
  308    HD2  LYS  48           1HD      LYS  48   0.543  -7.983  10.770
  309    HD3  LYS  48           2HD      LYS  48   1.758  -8.817   9.798
  310    HE2  LYS  48           2HE      LYS  48   2.681  -7.427  12.249
  311    HE3  LYS  48           1HE      LYS  48   1.741  -8.903  12.460
  312    HZ1  LYS  48           3HZ      LYS  48   4.393  -8.543  11.246
  313    HZ2  LYS  48           1HZ      LYS  48   3.405  -9.812  10.696
  314    HZ3  LYS  48           2HZ      LYS  48   3.852  -9.731  12.328
  315    H    ASP  49           H        ASP  49   1.719  -5.828   5.600
  316    HA   ASP  49           HA       ASP  49  -0.532  -7.244   4.656
  317    HB2  ASP  49           1HB      ASP  49   1.022  -5.859   3.264
  318    HB3  ASP  49           2HB      ASP  49   2.223  -7.135   3.418
  319    H    ASP  50           H        ASP  50  -0.651  -9.363   3.902
  320    HA   ASP  50           HA       ASP  50   0.936 -11.265   5.486
  321    HB2  ASP  50           1HB      ASP  50  -1.647 -11.157   5.586
  322    HB3  ASP  50           2HB      ASP  50  -1.601 -11.910   3.996
  323    H    VAL  51           H        VAL  51   0.465 -10.008   2.408
  324    HA   VAL  51           HA       VAL  51   1.172 -10.509   0.322
  325    HB   VAL  51           HB       VAL  51   3.251 -12.389   1.383
  326   HG11  VAL  51          1HG1      VAL  51   2.765 -10.956  -1.033
  327   HG12  VAL  51          2HG1      VAL  51   4.269 -10.370  -0.323
  328   HG13  VAL  51          3HG1      VAL  51   4.064 -12.090  -0.662
  329   HG21  VAL  51          3HG2      VAL  51   4.418  -9.883   1.550
  330   HG22  VAL  51          1HG2      VAL  51   2.843  -9.669   2.312
  331   HG23  VAL  51          2HG2      VAL  51   3.946 -10.911   2.903
  332    H    THR  52           H        THR  52  -0.859 -12.215   1.531
  333    HA   THR  52           HA       THR  52  -0.428 -14.810   0.304
  334    HB   THR  52           HB       THR  52  -3.131 -14.554   1.046
  335    HG1  THR  52           1HG      THR  52  -1.866 -13.905   3.394
  336   HG21  THR  52          3HG2      THR  52  -0.765 -16.075   1.780
  337   HG22  THR  52          1HG2      THR  52  -2.450 -16.588   1.687
  338   HG23  THR  52          2HG2      THR  52  -1.843 -15.816   3.152
  339    H    ASN  53           H        ASN  53  -1.266 -11.811  -0.716
  340    HA   ASN  53           HA       ASN  53  -2.868 -12.826  -2.958
  341    HB2  ASN  53           1HB      ASN  53  -3.165 -10.523  -1.420
  342    HB3  ASN  53           2HB      ASN  53  -2.399  -9.941  -2.895
  343   HD21  ASN  53          1HD2      ASN  53  -5.207  -9.876  -1.640
  344   HD22  ASN  53          2HD2      ASN  53  -6.245 -10.282  -2.970
  345    H    THR  54           H        THR  54  -1.635 -13.450  -4.609
  346    HA   THR  54           HA       THR  54   1.107 -12.618  -4.785
  347    HB   THR  54           HB       THR  54   0.020 -14.161  -7.037
  348    HG1  THR  54           1HG      THR  54  -0.148 -15.130  -4.346
  349   HG21  THR  54          3HG2      THR  54   1.925 -15.615  -5.569
  350   HG22  THR  54          1HG2      THR  54   2.428 -13.929  -5.475
  351   HG23  THR  54          2HG2      THR  54   2.190 -14.690  -7.048
  352    H    GLY  55           H        GLY  55   0.377 -10.319  -5.102
  353    HA2  GLY  55           1HA      GLY  55  -0.285  -9.744  -7.908
  354    HA3  GLY  55           2HA      GLY  55  -0.458  -8.623  -6.563
  355    H    ASN  56           H        ASN  56   1.062  -8.633  -9.215
  356    HA   ASN  56           HA       ASN  56   3.762  -8.146  -8.173
  357    HB2  ASN  56           1HB      ASN  56   3.310  -9.630 -10.237
  358    HB3  ASN  56           2HB      ASN  56   2.996  -8.120 -11.085
  359   HD21  ASN  56          1HD2      ASN  56   5.360 -10.274  -9.947
  360   HD22  ASN  56          2HD2      ASN  56   6.751  -9.340 -10.379
  361    H    SER  57           H        SER  57   1.282  -6.652 -10.237
  362    HA   SER  57           HA       SER  57   2.584  -4.049  -9.830
  363    HB2  SER  57           1HB      SER  57   0.429  -3.906 -11.702
  364    HB3  SER  57           2HB      SER  57   2.155  -3.698 -11.998
  365    HG   SER  57           HG       SER  57   2.348  -5.791 -12.550
  366    H    PHE  58           H        PHE  58   0.193  -5.875  -8.529
  367    HA   PHE  58           HA       PHE  58  -1.070  -3.602  -7.276
  368    HB2  PHE  58           1HB      PHE  58  -2.264  -4.527  -9.572
  369    HB3  PHE  58           2HB      PHE  58  -3.095  -5.455  -8.328
  370    HD1  PHE  58           1HD      PHE  58  -1.835  -1.951  -8.389
  371    HD2  PHE  58           2HD      PHE  58  -5.180  -4.555  -8.022
  372    HE1  PHE  58           1HE      PHE  58  -3.282  -0.021  -7.922
  373    HE2  PHE  58           2HE      PHE  58  -6.637  -2.630  -7.563
  374    HZ   PHE  58           HZ       PHE  58  -5.687  -0.355  -7.513
  375    H    LEU  59           H        LEU  59  -1.435  -4.102  -5.215
  376    HA   LEU  59           HA       LEU  59  -1.911  -6.921  -4.513
  377    HB2  LEU  59           1HB      LEU  59  -0.243  -4.846  -3.110
  378    HB3  LEU  59           2HB      LEU  59  -0.868  -6.247  -2.262
  379    HG   LEU  59           HG       LEU  59   0.448  -7.128  -4.644
  380   HD11  LEU  59          1HD1      LEU  59   2.549  -5.965  -2.991
  381   HD12  LEU  59          2HD1      LEU  59   2.390  -6.029  -4.746
  382   HD13  LEU  59          3HD1      LEU  59   1.571  -4.763  -3.832
  383   HD21  LEU  59          3HD2      LEU  59   0.011  -8.147  -2.251
  384   HD22  LEU  59          1HD2      LEU  59   1.392  -8.650  -3.227
  385   HD23  LEU  59          2HD2      LEU  59   1.609  -7.474  -1.930
  386    H    ILE  60           H        ILE  60  -3.741  -7.279  -3.391
  387    HA   ILE  60           HA       ILE  60  -5.243  -4.920  -2.517
  388    HB   ILE  60           HB       ILE  60  -6.295  -7.710  -2.997
  389   HG12  ILE  60          2HG1      ILE  60  -6.531  -5.236  -4.729
  390   HG13  ILE  60          1HG1      ILE  60  -5.464  -6.597  -5.062
  391   HG21  ILE  60          1HG2      ILE  60  -7.600  -5.102  -2.286
  392   HG22  ILE  60          2HG2      ILE  60  -8.498  -6.416  -3.045
  393   HG23  ILE  60          3HG2      ILE  60  -7.738  -6.660  -1.472
  394   HD11  ILE  60          3HD1      ILE  60  -7.159  -7.920  -5.778
  395   HD12  ILE  60          1HD1      ILE  60  -8.345  -7.176  -4.709
  396   HD13  ILE  60          2HD1      ILE  60  -7.846  -6.346  -6.184
  397    H    ILE  61           H        ILE  61  -4.961  -4.469  -0.481
  398    HA   ILE  61           HA       ILE  61  -4.571  -6.644   1.454
  399    HB   ILE  61           HB       ILE  61  -3.699  -3.750   1.498
  400   HG12  ILE  61          2HG1      ILE  61  -1.509  -5.210   2.077
  401   HG13  ILE  61          1HG1      ILE  61  -2.392  -6.381   1.104
  402   HG21  ILE  61          1HG2      ILE  61  -3.951  -5.697   3.736
  403   HG22  ILE  61          2HG2      ILE  61  -2.577  -4.591   3.723
  404   HG23  ILE  61          3HG2      ILE  61  -4.222  -3.954   3.720
  405   HD11  ILE  61          3HD1      ILE  61  -1.440  -5.399  -0.647
  406   HD12  ILE  61          1HD1      ILE  61  -2.580  -4.078  -0.379
  407   HD13  ILE  61          2HD1      ILE  61  -0.952  -3.993   0.300
  408    H    ASN  62           H        ASN  62  -5.806  -6.694   3.342
  409    HA   ASN  62           HA       ASN  62  -8.392  -5.419   3.053
  410    HB2  ASN  62           1HB      ASN  62  -7.686  -7.900   3.883
  411    HB3  ASN  62           2HB      ASN  62  -7.875  -7.090   5.437
  412   HD21  ASN  62          1HD2      ASN  62  -9.465  -9.081   3.628
  413   HD22  ASN  62          2HD2      ASN  62 -11.085  -8.493   3.789
  414    H    ALA  63           H        ALA  63  -9.486  -4.554   5.020
  415    HA   ALA  63           HA       ALA  63  -7.812  -2.438   6.069
  416    HB1  ALA  63           1HB      ALA  63  -9.774  -1.492   5.416
  417    HB2  ALA  63           2HB      ALA  63 -10.725  -2.921   5.820
  418    HB3  ALA  63           3HB      ALA  63 -10.180  -1.835   7.098
  419    H    ALA  64           H        ALA  64  -7.918  -5.388   7.079
  420    HA   ALA  64           HA       ALA  64  -8.307  -4.767   9.920
  421    HB1  ALA  64           1HB      ALA  64  -7.851  -7.477   8.678
  422    HB2  ALA  64           2HB      ALA  64  -8.359  -7.129  10.331
  423    HB3  ALA  64           3HB      ALA  64  -9.442  -6.778   8.984
  424    H    ASN  65           H        ASN  65  -5.954  -6.174   7.661
  425    HA   ASN  65           HA       ASN  65  -3.892  -6.114   9.696
  426    HB2  ASN  65           1HB      ASN  65  -2.418  -7.021   7.889
  427    HB3  ASN  65           2HB      ASN  65  -3.830  -8.011   8.233
  428   HD21  ASN  65          1HD2      ASN  65  -2.012  -7.477   5.842
  429   HD22  ASN  65          2HD2      ASN  65  -3.127  -7.266   4.533
  430    H    CYS  66           H        CYS  66  -5.037  -4.111   7.132
  431    HA   CYS  66           HA       CYS  66  -2.737  -2.330   7.465
  432    HB2  CYS  66           1HB      CYS  66  -3.732  -2.753   5.170
  433    HB3  CYS  66           2HB      CYS  66  -5.161  -1.878   5.709
  434    H    VAL  67           H        VAL  67  -2.878  -0.414   8.586
  435    HA   VAL  67           HA       VAL  67  -5.293  -0.202  10.247
  436    HB   VAL  67           HB       VAL  67  -3.756   1.112  11.803
  437   HG11  VAL  67          1HG1      VAL  67  -2.954  -0.872  12.867
  438   HG12  VAL  67          2HG1      VAL  67  -4.514  -1.242  12.129
  439   HG13  VAL  67          3HG1      VAL  67  -3.023  -1.775  11.353
  440   HG21  VAL  67          3HG2      VAL  67  -1.889   1.683  10.560
  441   HG22  VAL  67          1HG2      VAL  67  -1.314   0.305  11.500
  442   HG23  VAL  67          2HG2      VAL  67  -1.775   0.091   9.811
  443    H    ALA  68           H        ALA  68  -5.336   0.998   7.693
  444    HA   ALA  68           HA       ALA  68  -6.031   3.668   8.468
  445    HB1  ALA  68           1HB      ALA  68  -3.998   4.531   8.017
  446    HB2  ALA  68           2HB      ALA  68  -3.521   3.162   7.013
  447    HB3  ALA  68           3HB      ALA  68  -4.549   4.432   6.344
  Start of MODEL   11
    1    H1   SER   1           1H       SER   1  -2.871  14.120  -2.943
    2    H2   SER   1           2H       SER   1  -4.311  14.052  -3.836
    3    H3   SER   1           3H       SER   1  -3.451  15.508  -3.728
    4    HA   SER   1           HA       SER   1  -3.231  13.524  -5.646
    5    HB2  SER   1           1HB      SER   1  -1.172  15.306  -6.080
    6    HB3  SER   1           2HB      SER   1  -2.848  15.554  -6.574
    7    HG   SER   1           HG       SER   1  -2.151  17.330  -5.371
    8    H    ALA   2           H        ALA   2  -0.155  14.840  -5.032
    9    HA   ALA   2           HA       ALA   2   0.892  12.160  -4.532
   10    HB1  ALA   2           1HB      ALA   2   1.900  14.567  -5.880
   11    HB2  ALA   2           2HB      ALA   2   3.095  13.676  -4.939
   12    HB3  ALA   2           3HB      ALA   2   2.198  12.863  -6.220
   13    H    THR   3           H        THR   3   1.075  11.666  -2.462
   14    HA   THR   3           HA       THR   3   1.576  13.626  -0.413
   15    HB   THR   3           HB       THR   3   1.964  11.087   0.681
   16    HG1  THR   3           1HG      THR   3  -0.365  10.589  -0.621
   17   HG21  THR   3          3HG2      THR   3  -0.682  11.513   1.082
   18   HG22  THR   3          1HG2      THR   3  -0.162  13.129   0.607
   19   HG23  THR   3          2HG2      THR   3   0.595  12.330   1.985
   20    H    THR   4           H        THR   4   3.422  11.594  -2.447
   21    HA   THR   4           HA       THR   4   5.651  11.300  -2.763
   22    HB   THR   4           HB       THR   4   6.140  13.201  -0.466
   23    HG1  THR   4           1HG      THR   4   4.918  14.313  -1.972
   24   HG21  THR   4          3HG2      THR   4   8.229  13.641  -1.889
   25   HG22  THR   4          1HG2      THR   4   7.825  12.140  -2.725
   26   HG23  THR   4          2HG2      THR   4   8.169  12.121  -0.996
   27    H    ILE   5           H        ILE   5   6.661   9.482  -2.254
   28    HA   ILE   5           HA       ILE   5   6.550   8.576   0.530
   29    HB   ILE   5           HB       ILE   5   5.398   7.026  -0.878
   30   HG12  ILE   5          2HG1      ILE   5   7.732   5.337  -0.742
   31   HG13  ILE   5          1HG1      ILE   5   7.588   6.330   0.708
   32   HG21  ILE   5          1HG2      ILE   5   7.023   7.800  -2.896
   33   HG22  ILE   5          2HG2      ILE   5   7.669   6.200  -2.532
   34   HG23  ILE   5          3HG2      ILE   5   5.965   6.390  -2.947
   35   HD11  ILE   5          3HD1      ILE   5   5.902   5.109   1.470
   36   HD12  ILE   5          1HD1      ILE   5   5.054   5.176  -0.075
   37   HD13  ILE   5          2HD1      ILE   5   6.292   3.950   0.198
   38    H    GLY   6           H        GLY   6   8.348   9.342   1.425
   39    HA2  GLY   6           1HA      GLY   6  10.922   8.900   0.096
   40    HA3  GLY   6           2HA      GLY   6  10.645   9.900   1.517
   41    HA   PRO   7           HA       PRO   7  12.375   5.928   3.001
   42    HB2  PRO   7           1HB      PRO   7  14.265   6.917   4.611
   43    HB3  PRO   7           2HB      PRO   7  14.476   6.873   2.858
   44    HG2  PRO   7           1HG      PRO   7  13.720   9.169   4.617
   45    HG3  PRO   7           2HG      PRO   7  14.817   9.138   3.224
   46    HD2  PRO   7           1HD      PRO   7  12.188   9.995   3.145
   47    HD3  PRO   7           2HD      PRO   7  13.111   9.429   1.739
   48    H    ASN   8           H        ASN   8  10.334   8.099   4.317
   49    HA   ASN   8           HA       ASN   8  10.017   6.527   6.726
   50    HB2  ASN   8           1HB      ASN   8  11.666   8.574   7.076
   51    HB3  ASN   8           2HB      ASN   8  10.154   9.464   7.232
   52   HD21  ASN   8          1HD2      ASN   8  12.112   6.891   8.566
   53   HD22  ASN   8          2HD2      ASN   8  11.350   6.858  10.117
   54    H    THR   9           H        THR   9   8.372   6.941   4.401
   55    HA   THR   9           HA       THR   9   6.141   8.544   5.301
   56    HB   THR   9           HB       THR   9   5.696   6.491   3.221
   57    HG1  THR   9           1HG      THR   9   7.474   8.692   2.835
   58   HG21  THR   9          3HG2      THR   9   3.973   8.071   3.453
   59   HG22  THR   9          1HG2      THR   9   4.875   8.633   2.047
   60   HG23  THR   9          2HG2      THR   9   5.104   9.413   3.612
   61    H    CYS  10           H        CYS  10   6.434   5.088   4.509
   62    HA   CYS  10           HA       CYS  10   4.838   4.482   6.896
   63    HB2  CYS  10           1HB      CYS  10   4.268   3.811   4.088
   64    HB3  CYS  10           2HB      CYS  10   4.185   2.435   5.187
   65    H    SER  11           H        SER  11   7.359   4.453   7.283
   66    HA   SER  11           HA       SER  11   8.225   1.658   6.989
   67    HB2  SER  11           1HB      SER  11  10.281   3.754   7.439
   68    HB3  SER  11           2HB      SER  11  10.342   2.311   6.425
   69    HG   SER  11           HG       SER  11   9.384   3.373   4.809
   70    H    ILE  12           H        ILE  12   6.656   2.052   9.037
   71    HA   ILE  12           HA       ILE  12   7.927   3.062  11.389
   72    HB   ILE  12           HB       ILE  12   5.545   1.207  11.248
   73   HG12  ILE  12          2HG1      ILE  12   5.159   3.189   9.854
   74   HG13  ILE  12          1HG1      ILE  12   4.154   3.232  11.297
   75   HG21  ILE  12          1HG2      ILE  12   6.490   1.370  13.463
   76   HG22  ILE  12          2HG2      ILE  12   6.488   3.130  13.367
   77   HG23  ILE  12          3HG2      ILE  12   4.961   2.246  13.409
   78   HD11  ILE  12          3HD1      ILE  12   6.777   4.647  11.308
   79   HD12  ILE  12          1HD1      ILE  12   5.396   5.367  10.481
   80   HD13  ILE  12          2HD1      ILE  12   5.296   5.002  12.202
   81    H    ASP  13           H        ASP  13   6.884  -0.242  10.566
   82    HA   ASP  13           HA       ASP  13   9.331  -1.320  11.700
   83    HB2  ASP  13           1HB      ASP  13   7.570  -1.121  13.548
   84    HB3  ASP  13           2HB      ASP  13   6.674  -2.365  12.678
   85    H    ASP  14           H        ASP  14   6.785  -3.558  11.604
   86    HA   ASP  14           HA       ASP  14   7.732  -4.680   9.105
   87    HB2  ASP  14           1HB      ASP  14   6.949  -5.972  11.240
   88    HB3  ASP  14           2HB      ASP  14   5.334  -5.715  10.586
   89    H    TYR  15           H        TYR  15   5.740  -2.242   9.827
   90    HA   TYR  15           HA       TYR  15   3.679  -2.698   7.878
   91    HB2  TYR  15           1HB      TYR  15   4.550  -0.083   9.138
   92    HB3  TYR  15           2HB      TYR  15   3.039  -0.387   8.285
   93    HD1  TYR  15           1HD      TYR  15   1.502  -2.222   9.305
   94    HD2  TYR  15           2HD      TYR  15   4.635  -0.298  11.441
   95    HE1  TYR  15           1HE      TYR  15   0.437  -2.864  11.423
   96    HE2  TYR  15           2HE      TYR  15   3.581  -0.930  13.569
   97    HH   TYR  15           HH       TYR  15   0.922  -3.148  13.723
   98    H    LYS  16           H        LYS  16   4.093  -2.706   5.808
   99    HA   LYS  16           HA       LYS  16   6.582  -1.635   4.805
  100    HB2  LYS  16           1HB      LYS  16   4.476  -2.862   3.062
  101    HB3  LYS  16           2HB      LYS  16   6.224  -2.951   2.920
  102    HG2  LYS  16           1HG      LYS  16   5.196  -4.180   5.358
  103    HG3  LYS  16           2HG      LYS  16   4.600  -4.926   3.873
  104    HD2  LYS  16           1HD      LYS  16   6.518  -6.059   3.812
  105    HD3  LYS  16           2HD      LYS  16   7.302  -4.533   3.396
  106    HE2  LYS  16           2HE      LYS  16   8.407  -4.543   5.321
  107    HE3  LYS  16           1HE      LYS  16   6.892  -4.623   6.214
  108    HZ1  LYS  16           3HZ      LYS  16   7.337  -7.169   5.229
  109    HZ2  LYS  16           1HZ      LYS  16   7.475  -6.653   6.843
  110    HZ3  LYS  16           2HZ      LYS  16   8.832  -6.644   5.822
  111    HA   PRO  17           HA       PRO  17   4.833   1.996   2.998
  112    HB2  PRO  17           1HB      PRO  17   6.578   1.963   0.718
  113    HB3  PRO  17           2HB      PRO  17   6.736   2.917   2.192
  114    HG2  PRO  17           1HG      PRO  17   8.436   0.880   1.443
  115    HG3  PRO  17           2HG      PRO  17   8.238   1.481   3.100
  116    HD2  PRO  17           1HD      PRO  17   7.100  -0.962   1.813
  117    HD3  PRO  17           2HD      PRO  17   7.648  -0.714   3.485
  118    H    TYR  18           H        TYR  18   2.827   1.619   2.234
  119    HA   TYR  18           HA       TYR  18   2.592   0.239  -0.352
  120    HB2  TYR  18           1HB      TYR  18   0.768   0.318   2.041
  121    HB3  TYR  18           2HB      TYR  18   0.214  -0.212   0.458
  122    HD1  TYR  18           2HD      TYR  18   2.731  -1.655  -0.400
  123    HD2  TYR  18           1HD      TYR  18   0.547  -1.683   3.249
  124    HE1  TYR  18           2HE      TYR  18   3.547  -3.926   0.062
  125    HE2  TYR  18           1HE      TYR  18   1.361  -3.950   3.724
  126    HH   TYR  18           HH       TYR  18   2.600  -5.646   3.030
  127    H    CYS  19           H        CYS  19   1.962   1.445  -1.992
  128    HA   CYS  19           HA       CYS  19   0.436   3.889  -1.493
  129    HB2  CYS  19           1HB      CYS  19   1.884   2.788  -3.892
  130    HB3  CYS  19           2HB      CYS  19   0.682   4.059  -4.082
  131    H    CYS  20           H        CYS  20  -1.641   3.407  -1.121
  132    HA   CYS  20           HA       CYS  20  -2.796   1.080  -2.434
  133    HB2  CYS  20           1HB      CYS  20  -3.148   2.376   0.108
  134    HB3  CYS  20           2HB      CYS  20  -4.699   2.241  -0.717
  135    H    GLN  21           H        GLN  21  -4.210   1.148  -3.992
  136    HA   GLN  21           HA       GLN  21  -5.350   3.678  -4.846
  137    HB2  GLN  21           1HB      GLN  21  -6.017   0.968  -5.988
  138    HB3  GLN  21           2HB      GLN  21  -6.094   2.535  -6.782
  139    HG2  GLN  21           1HG      GLN  21  -3.540   1.192  -5.928
  140    HG3  GLN  21           2HG      GLN  21  -4.233   1.082  -7.545
  141   HE21  GLN  21          1HE2      GLN  21  -1.805   1.985  -7.540
  142   HE22  GLN  21          2HE2      GLN  21  -1.723   3.701  -7.753
  143    H    SER  22           H        SER  22  -6.546   4.080  -2.942
  144    HA   SER  22           HA       SER  22  -8.438   2.164  -1.962
  145    HB2  SER  22           1HB      SER  22  -8.526   5.034  -1.141
  146    HB3  SER  22           2HB      SER  22  -8.675   3.578  -0.154
  147    HG   SER  22           HG       SER  22  -6.454   5.036  -0.785
  148    H    MET  23           H        MET  23 -10.370   1.835  -2.726
  149    HA   MET  23           HA       MET  23 -11.474   3.688  -4.687
  150    HB2  MET  23           1HB      MET  23 -12.453   0.947  -3.879
  151    HB3  MET  23           2HB      MET  23 -12.976   1.875  -5.276
  152    HG2  MET  23           1HG      MET  23 -11.157   1.338  -6.487
  153    HG3  MET  23           2HG      MET  23 -10.092   1.313  -5.082
  154    HE1  MET  23           3HE      MET  23  -9.743  -1.940  -6.965
  155    HE2  MET  23           1HE      MET  23  -9.108  -0.342  -6.563
  156    HE3  MET  23           2HE      MET  23  -8.939  -1.672  -5.417
  157    H    SER  24           H        SER  24 -14.052   3.558  -4.632
  158    HA   SER  24           HA       SER  24 -14.772   4.783  -2.096
  159    HB2  SER  24           1HB      SER  24 -16.991   4.844  -3.791
  160    HB3  SER  24           2HB      SER  24 -15.819   6.144  -3.553
  161    HG   SER  24           HG       SER  24 -14.940   5.712  -5.436
  162    H    GLY  25           H        GLY  25 -14.418   1.828  -2.403
  163    HA2  GLY  25           1HA      GLY  25 -15.586   0.360  -0.854
  164    HA3  GLY  25           2HA      GLY  25 -17.094   1.054  -1.431
  165    H    SER  26           H        SER  26 -15.312   0.768  -4.124
  166    HA   SER  26           HA       SER  26 -16.807  -1.267  -5.274
  167    HB2  SER  26           1HB      SER  26 -14.156  -0.973  -6.456
  168    HB3  SER  26           2HB      SER  26 -15.740  -0.589  -7.134
  169    HG   SER  26           HG       SER  26 -14.958   1.381  -6.911
  170    H    ALA  27           H        ALA  27 -13.357  -1.457  -4.375
  171    HA   ALA  27           HA       ALA  27 -13.794  -4.194  -3.450
  172    HB1  ALA  27           1HB      ALA  27 -12.326  -5.200  -4.859
  173    HB2  ALA  27           2HB      ALA  27 -12.783  -3.868  -5.920
  174    HB3  ALA  27           3HB      ALA  27 -11.296  -3.774  -4.977
  175    H    SER  28           H        SER  28 -13.590  -1.940  -1.931
  176    HA   SER  28           HA       SER  28 -12.527  -0.961  -0.199
  177    HB2  SER  28           1HB      SER  28 -10.759  -3.417  -0.221
  178    HB3  SER  28           2HB      SER  28 -11.070  -2.345   1.145
  179    HG   SER  28           HG       SER  28 -12.746  -4.264  -0.054
  180    H    LEU  29           H        LEU  29  -9.433  -2.412  -0.793
  181    HA   LEU  29           HA       LEU  29  -8.513  -0.158  -2.368
  182    HB2  LEU  29           1HB      LEU  29  -6.563  -0.179  -0.441
  183    HB3  LEU  29           2HB      LEU  29  -7.830   1.021  -0.601
  184    HG   LEU  29           HG       LEU  29  -8.957  -1.065   0.904
  185   HD11  LEU  29          1HD1      LEU  29  -7.371  -1.995   2.142
  186   HD12  LEU  29          2HD1      LEU  29  -6.156  -1.151   1.182
  187   HD13  LEU  29          3HD1      LEU  29  -6.794  -0.406   2.648
  188   HD21  LEU  29          3HD2      LEU  29  -8.516   0.773   2.749
  189   HD22  LEU  29          1HD2      LEU  29  -8.068   1.737   1.340
  190   HD23  LEU  29          2HD2      LEU  29  -9.682   1.030   1.451
  191    H    GLY  30           H        GLY  30  -6.994  -0.760  -3.738
  192    HA2  GLY  30           1HA      GLY  30  -5.623  -3.328  -3.284
  193    HA3  GLY  30           2HA      GLY  30  -5.838  -2.551  -4.850
  194    H    CYS  31           H        CYS  31  -3.564  -3.242  -2.619
  195    HA   CYS  31           HA       CYS  31  -2.251  -0.625  -2.732
  196    HB2  CYS  31           1HB      CYS  31  -2.493  -2.677  -0.734
  197    HB3  CYS  31           2HB      CYS  31  -0.794  -2.358  -1.062
  198    H    VAL  32           H        VAL  32  -0.305  -0.300  -3.614
  199    HA   VAL  32           HA       VAL  32   1.133  -2.627  -4.719
  200    HB   VAL  32           HB       VAL  32   1.692   0.139  -5.706
  201   HG11  VAL  32          1HG1      VAL  32   1.808  -1.400  -7.866
  202   HG12  VAL  32          2HG1      VAL  32   3.140  -1.296  -6.715
  203   HG13  VAL  32          3HG1      VAL  32   2.022  -2.657  -6.645
  204   HG21  VAL  32          3HG2      VAL  32  -0.898  -1.078  -5.906
  205   HG22  VAL  32          1HG2      VAL  32  -0.350   0.485  -6.511
  206   HG23  VAL  32          2HG2      VAL  32  -0.164  -0.958  -7.505
  207    H    VAL  33           H        VAL  33   3.447  -2.552  -4.529
  208    HA   VAL  33           HA       VAL  33   4.329  -1.526  -2.030
  209    HB   VAL  33           HB       VAL  33   6.132  -2.523  -4.238
  210   HG11  VAL  33          1HG1      VAL  33   7.553  -1.780  -2.603
  211   HG12  VAL  33          2HG1      VAL  33   6.387  -2.062  -1.311
  212   HG13  VAL  33          3HG1      VAL  33   7.259  -3.419  -2.020
  213   HG21  VAL  33          3HG2      VAL  33   5.168  -4.364  -2.126
  214   HG22  VAL  33          1HG2      VAL  33   4.056  -3.983  -3.441
  215   HG23  VAL  33          2HG2      VAL  33   5.631  -4.697  -3.795
  216    H    GLY  34           H        GLY  34   4.675   0.549  -1.673
  217    HA2  GLY  34           1HA      GLY  34   5.233   2.389  -3.813
  218    HA3  GLY  34           2HA      GLY  34   5.068   2.783  -2.109
  219    H    VAL  35           H        VAL  35   7.207   2.195  -4.678
  220    HA   VAL  35           HA       VAL  35   9.539   1.593  -3.181
  221    HB   VAL  35           HB       VAL  35  10.258   2.968  -5.575
  222   HG11  VAL  35          1HG1      VAL  35  11.280   0.970  -4.285
  223   HG12  VAL  35          2HG1      VAL  35  10.204  -0.006  -5.283
  224   HG13  VAL  35          3HG1      VAL  35  11.418   1.022  -6.042
  225   HG21  VAL  35          3HG2      VAL  35   8.414   2.687  -6.831
  226   HG22  VAL  35          1HG2      VAL  35   8.959   1.014  -6.944
  227   HG23  VAL  35          2HG2      VAL  35   7.742   1.465  -5.750
  228    H    ILE  36           H        ILE  36  10.763   2.854  -1.996
  229    HA   ILE  36           HA       ILE  36  10.158   5.484  -1.346
  230    HB   ILE  36           HB       ILE  36  12.745   3.955  -1.054
  231   HG12  ILE  36          2HG1      ILE  36  11.010   4.706   1.241
  232   HG13  ILE  36          1HG1      ILE  36  10.414   3.444   0.167
  233   HG21  ILE  36          1HG2      ILE  36  13.778   5.727  -0.186
  234   HG22  ILE  36          2HG2      ILE  36  12.480   6.705  -0.874
  235   HG23  ILE  36          3HG2      ILE  36  12.377   6.154   0.798
  236   HD11  ILE  36          3HD1      ILE  36  12.659   2.315   0.510
  237   HD12  ILE  36          1HD1      ILE  36  12.898   3.455   1.835
  238   HD13  ILE  36          2HD1      ILE  36  11.543   2.327   1.876
  239    H    GLY  37           H        GLY  37  10.425   7.331  -2.403
  240    HA2  GLY  37           1HA      GLY  37  11.886   8.944  -3.398
  241    HA3  GLY  37           2HA      GLY  37  12.767   7.627  -4.157
  242    H    SER  38           H        SER  38   9.728   6.677  -4.640
  243    HA   SER  38           HA       SER  38   9.749   7.851  -7.320
  244    HB2  SER  38           1HB      SER  38   7.791   5.732  -6.599
  245    HB3  SER  38           2HB      SER  38   8.744   5.937  -8.070
  246    HG   SER  38           HG       SER  38   9.480   4.782  -5.608
  247    H    GLN  39           H        GLN  39   8.379   8.566  -4.459
  248    HA   GLN  39           HA       GLN  39   6.686   9.914  -3.781
  249    HB2  GLN  39           1HB      GLN  39   6.898  10.536  -6.648
  250    HB3  GLN  39           2HB      GLN  39   5.335  10.901  -5.934
  251    HG2  GLN  39           1HG      GLN  39   6.229  12.830  -5.328
  252    HG3  GLN  39           2HG      GLN  39   7.096  11.916  -4.096
  253   HE21  GLN  39          1HE2      GLN  39   7.299  13.091  -7.407
  254   HE22  GLN  39          2HE2      GLN  39   9.026  13.226  -7.444
  255    H    CYS  40           H        CYS  40   4.496   9.756  -3.277
  256    HA   CYS  40           HA       CYS  40   3.120   7.481  -4.525
  257    HB2  CYS  40           1HB      CYS  40   3.672   7.528  -1.983
  258    HB3  CYS  40           2HB      CYS  40   2.337   8.668  -1.877
  259    H    GLY  41           H        GLY  41   1.481   7.954  -5.814
  260    HA2  GLY  41           1HA      GLY  41   0.358  10.671  -5.692
  261    HA3  GLY  41           2HA      GLY  41   0.278   9.586  -7.072
  262    H    ALA  42           H        ALA  42  -0.372   8.234  -4.006
  263    HA   ALA  42           HA       ALA  42  -3.254   8.581  -4.271
  264    HB1  ALA  42           1HB      ALA  42  -3.198   5.954  -3.658
  265    HB2  ALA  42           2HB      ALA  42  -3.354   6.575  -5.300
  266    HB3  ALA  42           3HB      ALA  42  -1.779   6.065  -4.699
  267    H    SER  43           H        SER  43  -3.707   6.452  -2.277
  268    HA   SER  43           HA       SER  43  -2.990   8.006   0.073
  269    HB2  SER  43           1HB      SER  43  -4.518   5.527   0.468
  270    HB3  SER  43           2HB      SER  43  -4.879   7.172   0.994
  271    HG   SER  43           HG       SER  43  -5.665   7.627  -1.076
  272    H    VAL  44           H        VAL  44  -1.204   7.552   1.175
  273    HA   VAL  44           HA       VAL  44   0.173   5.037   0.860
  274    HB   VAL  44           HB       VAL  44   0.927   6.924   3.046
  275   HG11  VAL  44          1HG1      VAL  44   2.090   4.743   1.655
  276   HG12  VAL  44          2HG1      VAL  44   3.056   6.178   1.312
  277   HG13  VAL  44          3HG1      VAL  44   2.770   5.684   2.982
  278   HG21  VAL  44          3HG2      VAL  44   2.097   8.393   1.489
  279   HG22  VAL  44          1HG2      VAL  44   1.413   7.505   0.128
  280   HG23  VAL  44          2HG2      VAL  44   0.356   8.423   1.203
  281    H    LYS  45           H        LYS  45  -0.584   3.285   1.857
  282    HA   LYS  45           HA       LYS  45  -1.939   3.619   4.442
  283    HB2  LYS  45           1HB      LYS  45  -2.127   1.524   2.293
  284    HB3  LYS  45           2HB      LYS  45  -2.722   1.220   3.918
  285    HG2  LYS  45           1HG      LYS  45  -3.616   3.577   2.285
  286    HG3  LYS  45           2HG      LYS  45  -4.417   2.005   2.213
  287    HD2  LYS  45           1HD      LYS  45  -4.028   2.830   4.948
  288    HD3  LYS  45           2HD      LYS  45  -4.890   4.072   4.038
  289    HE2  LYS  45           2HE      LYS  45  -6.519   2.400   3.301
  290    HE3  LYS  45           1HE      LYS  45  -5.646   1.152   4.191
  291    HZ1  LYS  45           3HZ      LYS  45  -7.518   3.117   5.146
  292    HZ2  LYS  45           1HZ      LYS  45  -6.097   3.047   6.076
  293    HZ3  LYS  45           2HZ      LYS  45  -7.035   1.652   5.843
  294    H    CYS  46           H        CYS  46  -0.918   3.019   6.210
  295    HA   CYS  46           HA       CYS  46   1.560   1.534   6.028
  296    HB2  CYS  46           1HB      CYS  46   0.158   3.131   8.109
  297    HB3  CYS  46           2HB      CYS  46   1.234   1.860   8.676
  298    H    CYS  47           H        CYS  47   0.967  -0.547   5.450
  299    HA   CYS  47           HA       CYS  47  -0.655  -2.004   7.435
  300    HB2  CYS  47           1HB      CYS  47  -0.532  -2.763   4.526
  301    HB3  CYS  47           2HB      CYS  47  -1.715  -3.246   5.738
  302    H    LYS  48           H        LYS  48  -0.141  -4.261   7.669
  303    HA   LYS  48           HA       LYS  48   2.658  -4.865   6.986
  304    HB2  LYS  48           1HB      LYS  48   2.188  -5.079   9.356
  305    HB3  LYS  48           2HB      LYS  48   0.767  -6.059   9.030
  306    HG2  LYS  48           1HG      LYS  48   2.634  -7.573   7.839
  307    HG3  LYS  48           2HG      LYS  48   3.614  -6.812   9.092
  308    HD2  LYS  48           1HD      LYS  48   2.428  -7.787  10.807
  309    HD3  LYS  48           2HD      LYS  48   0.967  -7.965   9.832
  310    HE2  LYS  48           2HE      LYS  48   3.205  -9.494   8.772
  311    HE3  LYS  48           1HE      LYS  48   2.802  -9.953  10.426
  312    HZ1  LYS  48           3HZ      LYS  48   1.473 -11.302   9.085
  313    HZ2  LYS  48           1HZ      LYS  48   1.085 -10.040   8.023
  314    HZ3  LYS  48           2HZ      LYS  48   0.416 -10.070   9.581
  315    H    ASP  49           H        ASP  49  -0.592  -6.167   7.061
  316    HA   ASP  49           HA       ASP  49  -1.655  -7.828   5.991
  317    HB2  ASP  49           1HB      ASP  49  -1.057  -6.051   4.162
  318    HB3  ASP  49           2HB      ASP  49  -0.004  -7.324   3.547
  319    H    ASP  50           H        ASP  50  -0.252  -9.205   3.603
  320    HA   ASP  50           HA       ASP  50   1.785 -10.749   5.017
  321    HB2  ASP  50           1HB      ASP  50  -0.351 -11.956   5.371
  322    HB3  ASP  50           2HB      ASP  50  -0.562 -12.058   3.625
  323    H    VAL  51           H        VAL  51   3.275  -9.796   3.644
  324    HA   VAL  51           HA       VAL  51   3.017 -10.172   0.781
  325    HB   VAL  51           HB       VAL  51   5.668  -9.373   1.474
  326   HG11  VAL  51          1HG1      VAL  51   5.029  -7.340   0.243
  327   HG12  VAL  51          2HG1      VAL  51   4.538  -8.812  -0.595
  328   HG13  VAL  51          3HG1      VAL  51   3.345  -7.858   0.291
  329   HG21  VAL  51          3HG2      VAL  51   4.009  -8.661   3.544
  330   HG22  VAL  51          1HG2      VAL  51   5.530  -7.872   3.125
  331   HG23  VAL  51          2HG2      VAL  51   4.004  -7.221   2.525
  332    H    THR  52           H        THR  52   2.888 -12.514   0.950
  333    HA   THR  52           HA       THR  52   5.138 -13.994   1.930
  334    HB   THR  52           HB       THR  52   3.566 -15.626   0.237
  335    HG1  THR  52           1HG      THR  52   1.802 -14.336   2.018
  336   HG21  THR  52          3HG2      THR  52   3.036 -16.771   2.251
  337   HG22  THR  52          1HG2      THR  52   3.301 -15.323   3.222
  338   HG23  THR  52          2HG2      THR  52   4.668 -16.133   2.456
  339    H    ASN  53           H        ASN  53   4.316 -12.497  -1.029
  340    HA   ASN  53           HA       ASN  53   6.138 -14.140  -2.599
  341    HB2  ASN  53           1HB      ASN  53   3.883 -13.167  -3.439
  342    HB3  ASN  53           2HB      ASN  53   4.767 -11.651  -3.596
  343   HD21  ASN  53          1HD2      ASN  53   3.861 -12.309  -5.861
  344   HD22  ASN  53          2HD2      ASN  53   5.001 -13.129  -6.888
  345    H    THR  54           H        THR  54   8.109 -13.489  -3.304
  346    HA   THR  54           HA       THR  54   9.385 -11.358  -1.855
  347    HB   THR  54           HB       THR  54  11.148 -12.301  -3.829
  348    HG1  THR  54           1HG      THR  54   9.628 -14.447  -2.685
  349   HG21  THR  54          3HG2      THR  54  11.706 -13.823  -1.625
  350   HG22  THR  54          1HG2      THR  54  10.778 -12.495  -0.925
  351   HG23  THR  54          2HG2      THR  54  12.234 -12.157  -1.862
  352    H    GLY  55           H        GLY  55   7.605  -9.987  -3.110
  353    HA2  GLY  55           1HA      GLY  55   8.080  -7.890  -4.331
  354    HA3  GLY  55           2HA      GLY  55   8.901  -8.885  -5.528
  355    H    ASN  56           H        ASN  56   5.811  -7.932  -4.218
  356    HA   ASN  56           HA       ASN  56   4.467  -9.212  -6.506
  357    HB2  ASN  56           1HB      ASN  56   3.864  -9.703  -3.951
  358    HB3  ASN  56           2HB      ASN  56   2.893  -8.248  -4.165
  359   HD21  ASN  56          1HD2      ASN  56   0.894  -8.592  -4.786
  360   HD22  ASN  56          2HD2      ASN  56   0.328  -9.937  -5.722
  361    H    SER  57           H        SER  57   2.811  -8.019  -7.572
  362    HA   SER  57           HA       SER  57   3.401  -5.189  -7.658
  363    HB2  SER  57           1HB      SER  57   1.310  -5.871  -9.449
  364    HB3  SER  57           2HB      SER  57   3.000  -5.543  -9.837
  365    HG   SER  57           HG       SER  57   1.867  -7.758 -10.280
  366    H    PHE  58           H        PHE  58   0.307  -6.942  -7.870
  367    HA   PHE  58           HA       PHE  58  -0.880  -4.779  -6.288
  368    HB2  PHE  58           1HB      PHE  58  -1.645  -5.767  -8.731
  369    HB3  PHE  58           2HB      PHE  58  -2.730  -6.611  -7.626
  370    HD1  PHE  58           2HD      PHE  58  -1.320  -3.181  -7.953
  371    HD2  PHE  58           1HD      PHE  58  -4.758  -5.603  -7.333
  372    HE1  PHE  58           2HE      PHE  58  -2.714  -1.153  -7.783
  373    HE2  PHE  58           1HE      PHE  58  -6.161  -3.586  -7.156
  374    HZ   PHE  58           HZ       PHE  58  -5.135  -1.359  -7.383
  375    H    LEU  59           H        LEU  59  -1.277  -5.204  -4.259
  376    HA   LEU  59           HA       LEU  59  -2.309  -7.876  -3.580
  377    HB2  LEU  59           1HB      LEU  59  -1.346  -7.415  -1.266
  378    HB3  LEU  59           2HB      LEU  59  -0.217  -7.848  -2.533
  379    HG   LEU  59           HG       LEU  59  -0.496  -4.982  -2.396
  380   HD11  LEU  59          1HD1      LEU  59   0.891  -5.718   0.030
  381   HD12  LEU  59          2HD1      LEU  59  -0.349  -4.490  -0.234
  382   HD13  LEU  59          3HD1      LEU  59  -0.814  -6.160   0.093
  383   HD21  LEU  59          3HD2      LEU  59   1.832  -5.032  -2.473
  384   HD22  LEU  59          1HD2      LEU  59   1.921  -6.591  -1.655
  385   HD23  LEU  59          2HD2      LEU  59   1.361  -6.503  -3.325
  386    H    ILE  60           H        ILE  60  -4.358  -7.780  -2.961
  387    HA   ILE  60           HA       ILE  60  -5.480  -5.212  -2.214
  388    HB   ILE  60           HB       ILE  60  -6.575  -6.997  -3.776
  389   HG12  ILE  60          2HG1      ILE  60  -8.688  -6.102  -1.987
  390   HG13  ILE  60          1HG1      ILE  60  -7.516  -4.834  -2.327
  391   HG21  ILE  60          1HG2      ILE  60  -6.841  -8.266  -1.164
  392   HG22  ILE  60          2HG2      ILE  60  -8.363  -8.116  -2.042
  393   HG23  ILE  60          3HG2      ILE  60  -6.996  -8.947  -2.784
  394   HD11  ILE  60          3HD1      ILE  60  -9.647  -5.744  -3.939
  395   HD12  ILE  60          1HD1      ILE  60  -8.470  -4.477  -4.281
  396   HD13  ILE  60          2HD1      ILE  60  -8.140  -6.140  -4.763
  397    H    ILE  61           H        ILE  61  -6.105  -4.627  -0.213
  398    HA   ILE  61           HA       ILE  61  -5.301  -6.470   1.925
  399    HB   ILE  61           HB       ILE  61  -5.672  -3.488   2.175
  400   HG12  ILE  61          2HG1      ILE  61  -3.079  -4.990   1.756
  401   HG13  ILE  61          1HG1      ILE  61  -3.911  -4.079   0.499
  402   HG21  ILE  61          1HG2      ILE  61  -4.574  -5.642   3.942
  403   HG22  ILE  61          2HG2      ILE  61  -4.009  -3.980   4.111
  404   HG23  ILE  61          3HG2      ILE  61  -5.720  -4.355   4.325
  405   HD11  ILE  61          3HD1      ILE  61  -2.591  -3.046   2.979
  406   HD12  ILE  61          1HD1      ILE  61  -2.226  -2.669   1.295
  407   HD13  ILE  61          2HD1      ILE  61  -3.715  -2.075   2.029
  408    H    ASN  62           H        ASN  62  -6.675  -7.091   3.462
  409    HA   ASN  62           HA       ASN  62  -9.475  -6.534   3.129
  410    HB2  ASN  62           1HB      ASN  62  -7.927  -8.578   4.315
  411    HB3  ASN  62           2HB      ASN  62  -8.919  -7.893   5.600
  412   HD21  ASN  62          1HD2      ASN  62 -10.623  -9.175   5.872
  413   HD22  ASN  62          2HD2      ASN  62 -11.619  -9.814   4.601
  414    H    ALA  63           H        ALA  63  -7.387  -4.499   4.115
  415    HA   ALA  63           HA       ALA  63  -7.565  -2.512   5.174
  416    HB1  ALA  63           1HB      ALA  63  -9.905  -2.484   4.594
  417    HB2  ALA  63           2HB      ALA  63 -10.292  -3.469   6.006
  418    HB3  ALA  63           3HB      ALA  63  -9.673  -1.831   6.216
  419    H    ALA  64           H        ALA  64  -8.476  -5.320   7.106
  420    HA   ALA  64           HA       ALA  64  -7.921  -4.017   9.606
  421    HB1  ALA  64           1HB      ALA  64  -8.098  -6.979   9.379
  422    HB2  ALA  64           2HB      ALA  64  -8.734  -5.900  10.622
  423    HB3  ALA  64           3HB      ALA  64  -9.532  -6.005   9.053
  424    H    ASN  65           H        ASN  65  -5.820  -4.791   7.342
  425    HA   ASN  65           HA       ASN  65  -3.821  -5.957   9.158
  426    HB2  ASN  65           1HB      ASN  65  -4.372  -6.230   6.317
  427    HB3  ASN  65           2HB      ASN  65  -2.687  -5.811   6.618
  428   HD21  ASN  65          1HD2      ASN  65  -3.625  -8.255   5.557
  429   HD22  ASN  65          2HD2      ASN  65  -3.201  -9.498   6.684
  430    H    CYS  66           H        CYS  66  -4.898  -3.086   8.273
  431    HA   CYS  66           HA       CYS  66  -2.266  -1.777   8.242
  432    HB2  CYS  66           1HB      CYS  66  -4.917  -0.496   7.574
  433    HB3  CYS  66           2HB      CYS  66  -3.302   0.105   7.209
  434    H    VAL  67           H        VAL  67  -2.002   0.162   9.536
  435    HA   VAL  67           HA       VAL  67  -3.586   0.077  12.004
  436    HB   VAL  67           HB       VAL  67  -1.796   1.865  12.695
  437   HG11  VAL  67          1HG1      VAL  67  -2.131  -0.487  13.550
  438   HG12  VAL  67          2HG1      VAL  67  -0.879  -0.980  12.409
  439   HG13  VAL  67          3HG1      VAL  67  -0.502   0.171  13.691
  440   HG21  VAL  67          3HG2      VAL  67  -0.215   0.371  10.617
  441   HG22  VAL  67          1HG2      VAL  67  -0.888   1.978  10.345
  442   HG23  VAL  67          2HG2      VAL  67   0.305   1.727  11.618
  443    H    ALA  68           H        ALA  68  -3.467   1.695   9.114
  444    HA   ALA  68           HA       ALA  68  -5.368   3.666   9.948
  445    HB1  ALA  68           1HB      ALA  68  -2.579   4.393   9.747
  446    HB2  ALA  68           2HB      ALA  68  -3.541   5.268   8.555
  447    HB3  ALA  68           3HB      ALA  68  -3.952   5.367  10.267
  Start of MODEL   12
    1    H1   SER   1           1H       SER   1  -1.471  14.853  -2.876
    2    H2   SER   1           2H       SER   1  -2.969  15.213  -2.167
    3    H3   SER   1           3H       SER   1  -2.575  15.855  -3.685
    4    HA   SER   1           HA       SER   1  -3.869  13.462  -3.102
    5    HB2  SER   1           1HB      SER   1  -3.230  13.659  -5.861
    6    HB3  SER   1           2HB      SER   1  -4.733  14.128  -5.063
    7    HG   SER   1           HG       SER   1  -4.185  16.074  -5.638
    8    H    ALA   2           H        ALA   2  -0.847  14.029  -4.917
    9    HA   ALA   2           HA       ALA   2  -0.234  11.167  -4.623
   10    HB1  ALA   2           1HB      ALA   2  -0.316  11.807  -6.923
   11    HB2  ALA   2           2HB      ALA   2   0.726  13.201  -6.630
   12    HB3  ALA   2           3HB      ALA   2   1.378  11.566  -6.496
   13    H    THR   3           H        THR   3   0.768  11.079  -2.666
   14    HA   THR   3           HA       THR   3   2.744  13.005  -1.886
   15    HB   THR   3           HB       THR   3   2.864  10.594  -0.331
   16    HG1  THR   3           1HG      THR   3   0.531  10.877   0.364
   17   HG21  THR   3          3HG2      THR   3   3.159  12.208   1.175
   18   HG22  THR   3          1HG2      THR   3   1.450  12.620   1.035
   19   HG23  THR   3          2HG2      THR   3   2.640  13.427   0.012
   20    H    THR   4           H        THR   4   4.884  12.910  -2.135
   21    HA   THR   4           HA       THR   4   6.113  10.584  -3.387
   22    HB   THR   4           HB       THR   4   7.733  12.891  -2.398
   23    HG1  THR   4           1HG      THR   4   5.709  13.014  -4.366
   24   HG21  THR   4          3HG2      THR   4   8.903  12.520  -4.535
   25   HG22  THR   4          1HG2      THR   4   7.742  11.257  -4.942
   26   HG23  THR   4          2HG2      THR   4   8.823  11.050  -3.564
   27    H    ILE   5           H        ILE   5   6.508   8.923  -2.038
   28    HA   ILE   5           HA       ILE   5   6.833   9.434   0.795
   29    HB   ILE   5           HB       ILE   5   6.410   7.180   1.188
   30   HG12  ILE   5          2HG1      ILE   5   6.895   6.456  -1.702
   31   HG13  ILE   5          1HG1      ILE   5   8.162   6.388  -0.481
   32   HG21  ILE   5          1HG2      ILE   5   4.332   7.743   0.569
   33   HG22  ILE   5          2HG2      ILE   5   4.854   8.397  -0.983
   34   HG23  ILE   5          3HG2      ILE   5   4.641   6.656  -0.784
   35   HD11  ILE   5          3HD1      ILE   5   7.516   4.318  -0.063
   36   HD12  ILE   5          1HD1      ILE   5   6.036   4.986   0.625
   37   HD13  ILE   5          2HD1      ILE   5   6.079   4.500  -1.069
   38    H    GLY   6           H        GLY   6   8.618   9.166   1.983
   39    HA2  GLY   6           1HA      GLY   6  11.090   8.419   0.588
   40    HA3  GLY   6           2HA      GLY   6  10.994   9.291   2.116
   41    HA   PRO   7           HA       PRO   7  11.765   4.817   3.053
   42    HB2  PRO   7           1HB      PRO   7  13.937   5.689   4.759
   43    HB3  PRO   7           2HB      PRO   7  14.010   4.687   3.309
   44    HG2  PRO   7           1HG      PRO   7  15.025   7.218   3.446
   45    HG3  PRO   7           2HG      PRO   7  14.456   6.468   1.946
   46    HD2  PRO   7           1HD      PRO   7  13.072   8.439   3.723
   47    HD3  PRO   7           2HD      PRO   7  13.113   8.353   1.948
   48    H    ASN   8           H        ASN   8  11.625   7.671   5.067
   49    HA   ASN   8           HA       ASN   8  10.964   6.065   7.428
   50    HB2  ASN   8           1HB      ASN   8  12.703   8.123   7.213
   51    HB3  ASN   8           2HB      ASN   8  11.249   9.004   7.667
   52   HD21  ASN   8          1HD2      ASN   8  13.521   6.533   8.630
   53   HD22  ASN   8          2HD2      ASN   8  13.156   6.595  10.325
   54    H    THR   9           H        THR   9   9.017   6.144   5.487
   55    HA   THR   9           HA       THR   9   7.136   8.254   5.997
   56    HB   THR   9           HB       THR   9   5.762   6.208   4.729
   57    HG1  THR   9           1HG      THR   9   8.144   6.240   3.299
   58   HG21  THR   9          3HG2      THR   9   7.323   8.573   3.724
   59   HG22  THR   9          1HG2      THR   9   5.577   8.406   3.916
   60   HG23  THR   9          2HG2      THR   9   6.409   7.538   2.626
   61    H    CYS  10           H        CYS  10   6.996   4.720   6.475
   62    HA   CYS  10           HA       CYS  10   5.057   5.175   8.633
   63    HB2  CYS  10           1HB      CYS  10   5.619   2.752   6.921
   64    HB3  CYS  10           2HB      CYS  10   4.573   2.707   8.335
   65    H    SER  11           H        SER  11   7.220   5.839   9.718
   66    HA   SER  11           HA       SER  11   8.937   3.692  10.527
   67    HB2  SER  11           1HB      SER  11   9.398   5.865  12.223
   68    HB3  SER  11           2HB      SER  11  10.275   5.475  10.743
   69    HG   SER  11           HG       SER  11   9.556   7.416  10.234
   70    H    ILE  12           H        ILE  12   7.433   2.260  11.478
   71    HA   ILE  12           HA       ILE  12   6.884   2.938  14.292
   72    HB   ILE  12           HB       ILE  12   5.108   1.041  12.776
   73   HG12  ILE  12          2HG1      ILE  12   3.986   3.714  13.243
   74   HG13  ILE  12          1HG1      ILE  12   5.275   3.685  12.043
   75   HG21  ILE  12          1HG2      ILE  12   5.246   1.228  15.331
   76   HG22  ILE  12          2HG2      ILE  12   4.383   2.753  15.124
   77   HG23  ILE  12          3HG2      ILE  12   3.649   1.244  14.580
   78   HD11  ILE  12          3HD1      ILE  12   3.730   1.538  11.328
   79   HD12  ILE  12          1HD1      ILE  12   2.541   2.720  11.876
   80   HD13  ILE  12          2HD1      ILE  12   3.681   3.141  10.596
   81    H    ASP  13           H        ASP  13   7.087   0.328  11.939
   82    HA   ASP  13           HA       ASP  13   9.121  -1.060  13.384
   83    HB2  ASP  13           1HB      ASP  13   6.706  -1.667  14.377
   84    HB3  ASP  13           2HB      ASP  13   6.677  -2.738  12.980
   85    H    ASP  14           H        ASP  14   8.191  -3.615  12.012
   86    HA   ASP  14           HA       ASP  14   9.064  -2.972   9.343
   87    HB2  ASP  14           1HB      ASP  14   9.560  -5.172  10.523
   88    HB3  ASP  14           2HB      ASP  14   7.874  -5.600  10.247
   89    H    TYR  15           H        TYR  15   7.209  -1.361   9.373
   90    HA   TYR  15           HA       TYR  15   4.743  -2.593   8.346
   91    HB2  TYR  15           1HB      TYR  15   5.295  -0.109   9.894
   92    HB3  TYR  15           2HB      TYR  15   4.005  -0.043   8.698
   93    HD1  TYR  15           2HD      TYR  15   2.250  -2.008   8.839
   94    HD2  TYR  15           1HD      TYR  15   4.808  -0.831  12.030
   95    HE1  TYR  15           2HE      TYR  15   0.716  -3.053  10.439
   96    HE2  TYR  15           1HE      TYR  15   3.279  -1.879  13.645
   97    HH   TYR  15           HH       TYR  15   1.498  -3.862  13.475
   98    H    LYS  16           H        LYS  16   4.535  -2.539   6.233
   99    HA   LYS  16           HA       LYS  16   6.441  -1.040   4.676
  100    HB2  LYS  16           1HB      LYS  16   4.309  -3.052   3.972
  101    HB3  LYS  16           2HB      LYS  16   5.229  -2.195   2.743
  102    HG2  LYS  16           1HG      LYS  16   6.429  -4.134   2.936
  103    HG3  LYS  16           2HG      LYS  16   7.290  -3.084   4.064
  104    HD2  LYS  16           1HD      LYS  16   6.500  -4.197   5.912
  105    HD3  LYS  16           2HD      LYS  16   5.026  -4.722   5.097
  106    HE2  LYS  16           2HE      LYS  16   6.118  -6.713   5.142
  107    HE3  LYS  16           1HE      LYS  16   6.790  -6.079   3.642
  108    HZ1  LYS  16           3HZ      LYS  16   8.058  -6.276   6.305
  109    HZ2  LYS  16           1HZ      LYS  16   8.614  -5.137   5.174
  110    HZ3  LYS  16           2HZ      LYS  16   8.642  -6.791   4.794
  111    HA   PRO  17           HA       PRO  17   3.605   2.297   3.851
  112    HB2  PRO  17           1HB      PRO  17   5.178   3.646   2.106
  113    HB3  PRO  17           2HB      PRO  17   5.476   3.657   3.849
  114    HG2  PRO  17           1HG      PRO  17   6.851   2.129   1.695
  115    HG3  PRO  17           2HG      PRO  17   7.523   2.852   3.166
  116    HD2  PRO  17           1HD      PRO  17   6.936   0.169   2.845
  117    HD3  PRO  17           2HD      PRO  17   7.081   0.993   4.408
  118    H    TYR  18           H        TYR  18   1.958   1.330   2.751
  119    HA   TYR  18           HA       TYR  18   2.424   0.398   0.026
  120    HB2  TYR  18           1HB      TYR  18   0.237   0.009   2.043
  121    HB3  TYR  18           2HB      TYR  18  -0.063  -0.313   0.337
  122    HD1  TYR  18           1HD      TYR  18   1.355  -2.037  -0.838
  123    HD2  TYR  18           2HD      TYR  18   1.389  -1.545   3.384
  124    HE1  TYR  18           1HE      TYR  18   2.345  -4.273  -0.593
  125    HE2  TYR  18           2HE      TYR  18   2.373  -3.776   3.644
  126    HH   TYR  18           HH       TYR  18   2.307  -6.086   1.452
  127    H    CYS  19           H        CYS  19   1.834   1.491  -1.694
  128    HA   CYS  19           HA       CYS  19   0.399   3.981  -1.465
  129    HB2  CYS  19           1HB      CYS  19   1.355   2.472  -3.914
  130    HB3  CYS  19           2HB      CYS  19   0.775   4.135  -3.890
  131    H    CYS  20           H        CYS  20  -1.722   3.769  -1.038
  132    HA   CYS  20           HA       CYS  20  -3.175   1.564  -2.301
  133    HB2  CYS  20           1HB      CYS  20  -3.215   2.730   0.300
  134    HB3  CYS  20           2HB      CYS  20  -4.805   2.932  -0.428
  135    H    GLN  21           H        GLN  21  -4.514   1.912  -3.887
  136    HA   GLN  21           HA       GLN  21  -5.292   4.500  -4.773
  137    HB2  GLN  21           1HB      GLN  21  -5.736   1.718  -5.570
  138    HB3  GLN  21           2HB      GLN  21  -7.144   2.739  -5.829
  139    HG2  GLN  21           1HG      GLN  21  -4.464   3.653  -6.762
  140    HG3  GLN  21           2HG      GLN  21  -5.364   2.460  -7.699
  141   HE21  GLN  21          1HE2      GLN  21  -6.586   3.264  -9.222
  142   HE22  GLN  21          2HE2      GLN  21  -7.304   4.842  -9.235
  143    H    SER  22           H        SER  22  -6.989   5.718  -4.141
  144    HA   SER  22           HA       SER  22  -8.444   4.884  -1.814
  145    HB2  SER  22           1HB      SER  22  -9.319   7.345  -3.168
  146    HB3  SER  22           2HB      SER  22  -8.786   7.101  -1.502
  147    HG   SER  22           HG       SER  22  -6.711   7.366  -2.101
  148    H    MET  23           H        MET  23  -9.533   3.068  -2.763
  149    HA   MET  23           HA       MET  23 -11.476   3.474  -4.837
  150    HB2  MET  23           1HB      MET  23 -10.225   1.247  -3.562
  151    HB3  MET  23           2HB      MET  23 -11.968   1.048  -3.424
  152    HG2  MET  23           1HG      MET  23 -11.622   0.034  -5.424
  153    HG3  MET  23           2HG      MET  23 -11.906   1.684  -5.974
  154    HE1  MET  23           3HE      MET  23  -9.960  -1.222  -5.615
  155    HE2  MET  23           1HE      MET  23  -8.731  -1.058  -6.869
  156    HE3  MET  23           2HE      MET  23  -8.340  -0.667  -5.194
  157    H    SER  24           H        SER  24 -13.075   4.789  -4.318
  158    HA   SER  24           HA       SER  24 -14.248   4.764  -1.667
  159    HB2  SER  24           1HB      SER  24 -15.364   6.430  -3.877
  160    HB3  SER  24           2HB      SER  24 -15.083   6.844  -2.184
  161    HG   SER  24           HG       SER  24 -12.721   6.334  -3.232
  162    H    GLY  25           H        GLY  25 -15.662   3.225  -1.234
  163    HA2  GLY  25           1HA      GLY  25 -18.019   2.570  -1.622
  164    HA3  GLY  25           2HA      GLY  25 -17.612   2.483  -3.331
  165    H    SER  26           H        SER  26 -14.915   1.400  -2.143
  166    HA   SER  26           HA       SER  26 -15.838  -1.375  -1.807
  167    HB2  SER  26           1HB      SER  26 -13.127  -1.184  -2.806
  168    HB3  SER  26           2HB      SER  26 -14.516  -2.013  -3.512
  169    HG   SER  26           HG       SER  26 -14.065  -0.481  -4.979
  170    H    ALA  27           H        ALA  27 -14.850  -2.591  -0.211
  171    HA   ALA  27           HA       ALA  27 -13.497  -1.092   1.853
  172    HB1  ALA  27           1HB      ALA  27 -14.515  -2.597   3.121
  173    HB2  ALA  27           2HB      ALA  27 -14.997  -3.519   1.695
  174    HB3  ALA  27           3HB      ALA  27 -13.447  -3.842   2.472
  175    H    SER  28           H        SER  28 -12.678  -3.625  -0.449
  176    HA   SER  28           HA       SER  28  -9.993  -3.929   0.490
  177    HB2  SER  28           1HB      SER  28 -10.427  -4.804  -2.242
  178    HB3  SER  28           2HB      SER  28 -10.048  -5.762  -0.809
  179    HG   SER  28           HG       SER  28 -12.095  -6.229  -0.556
  180    H    LEU  29           H        LEU  29  -8.717  -2.171   0.343
  181    HA   LEU  29           HA       LEU  29  -8.803  -0.514  -2.045
  182    HB2  LEU  29           1HB      LEU  29  -6.645   0.215  -0.331
  183    HB3  LEU  29           2HB      LEU  29  -8.100   1.113  -0.710
  184    HG   LEU  29           HG       LEU  29  -8.818  -0.845   1.207
  185   HD11  LEU  29          1HD1      LEU  29  -6.085  -0.001   1.485
  186   HD12  LEU  29          2HD1      LEU  29  -7.050   0.578   2.843
  187   HD13  LEU  29          3HD1      LEU  29  -7.008  -1.143   2.460
  188   HD21  LEU  29          3HD2      LEU  29  -8.618   1.648   2.456
  189   HD22  LEU  29          1HD2      LEU  29  -8.957   1.998   0.761
  190   HD23  LEU  29          2HD2      LEU  29 -10.042   0.953   1.679
  191    H    GLY  30           H        GLY  30  -7.119  -0.274  -3.480
  192    HA2  GLY  30           1HA      GLY  30  -5.417  -2.599  -3.736
  193    HA3  GLY  30           2HA      GLY  30  -5.583  -1.291  -4.900
  194    H    CYS  31           H        CYS  31  -3.724  -2.604  -2.389
  195    HA   CYS  31           HA       CYS  31  -2.173  -0.128  -2.078
  196    HB2  CYS  31           1HB      CYS  31  -2.965  -2.282  -0.269
  197    HB3  CYS  31           2HB      CYS  31  -1.242  -1.936  -0.196
  198    H    VAL  32           H        VAL  32  -0.503  -0.080  -3.453
  199    HA   VAL  32           HA       VAL  32   0.954  -2.581  -3.962
  200    HB   VAL  32           HB       VAL  32   2.129  -0.589  -5.536
  201   HG11  VAL  32          1HG1      VAL  32   1.515  -3.053  -5.955
  202   HG12  VAL  32          2HG1      VAL  32  -0.035  -2.419  -6.519
  203   HG13  VAL  32          3HG1      VAL  32   1.463  -1.938  -7.321
  204   HG21  VAL  32          3HG2      VAL  32  -0.758  -0.423  -6.191
  205   HG22  VAL  32          1HG2      VAL  32  -0.171   0.574  -4.860
  206   HG23  VAL  32          2HG2      VAL  32   0.533   0.745  -6.468
  207    H    VAL  33           H        VAL  33   3.040  -2.846  -3.340
  208    HA   VAL  33           HA       VAL  33   3.890  -1.483  -1.063
  209    HB   VAL  33           HB       VAL  33   4.607  -3.739  -1.431
  210   HG11  VAL  33          1HG1      VAL  33   6.542  -3.091  -3.569
  211   HG12  VAL  33          2HG1      VAL  33   5.629  -4.569  -3.268
  212   HG13  VAL  33          3HG1      VAL  33   4.842  -3.188  -4.030
  213   HG21  VAL  33          3HG2      VAL  33   6.979  -1.882  -1.545
  214   HG22  VAL  33          1HG2      VAL  33   6.095  -2.357  -0.095
  215   HG23  VAL  33          2HG2      VAL  33   7.009  -3.560  -1.005
  216    H    GLY  34           H        GLY  34   4.884   0.361  -0.742
  217    HA2  GLY  34           1HA      GLY  34   5.740   2.059  -2.840
  218    HA3  GLY  34           2HA      GLY  34   6.031   2.306  -1.125
  219    H    VAL  35           H        VAL  35   7.671   2.388  -3.743
  220    HA   VAL  35           HA       VAL  35   9.701   0.381  -3.194
  221    HB   VAL  35           HB       VAL  35  10.187   2.397  -5.306
  222   HG11  VAL  35          1HG1      VAL  35  10.877  -0.349  -4.672
  223   HG12  VAL  35          2HG1      VAL  35  10.369  -0.158  -6.349
  224   HG13  VAL  35          3HG1      VAL  35  11.699   0.811  -5.715
  225   HG21  VAL  35          3HG2      VAL  35   8.282   2.161  -6.425
  226   HG22  VAL  35          1HG2      VAL  35   8.498   0.411  -6.450
  227   HG23  VAL  35          2HG2      VAL  35   7.636   1.172  -5.113
  228    H    ILE  36           H        ILE  36   9.043   3.329  -1.994
  229    HA   ILE  36           HA       ILE  36  10.201   4.780  -0.676
  230    HB   ILE  36           HB       ILE  36  12.581   2.988  -1.194
  231   HG12  ILE  36          2HG1      ILE  36  10.848   1.787  -0.008
  232   HG13  ILE  36          1HG1      ILE  36  12.138   2.179   1.122
  233   HG21  ILE  36          1HG2      ILE  36  12.207   5.342   0.629
  234   HG22  ILE  36          2HG2      ILE  36  13.426   4.104   0.936
  235   HG23  ILE  36          3HG2      ILE  36  13.484   5.050  -0.552
  236   HD11  ILE  36          3HD1      ILE  36   9.838   4.042   0.915
  237   HD12  ILE  36          1HD1      ILE  36   9.607   2.502   1.739
  238   HD13  ILE  36          2HD1      ILE  36  10.842   3.628   2.304
  239    H    GLY  37           H        GLY  37  10.452   6.744  -1.485
  240    HA2  GLY  37           1HA      GLY  37  11.524   8.467  -2.651
  241    HA3  GLY  37           2HA      GLY  37  12.505   7.269  -3.487
  242    H    SER  38           H        SER  38   9.152   6.683  -3.304
  243    HA   SER  38           HA       SER  38   8.845   7.410  -6.141
  244    HB2  SER  38           1HB      SER  38   6.996   5.367  -5.301
  245    HB3  SER  38           2HB      SER  38   8.243   5.282  -6.547
  246    HG   SER  38           HG       SER  38   9.728   4.671  -4.984
  247    H    GLN  39           H        GLN  39   6.599   7.871  -6.792
  248    HA   GLN  39           HA       GLN  39   5.170   9.320  -4.704
  249    HB2  GLN  39           1HB      GLN  39   3.763   9.494  -7.158
  250    HB3  GLN  39           2HB      GLN  39   4.693  10.750  -6.356
  251    HG2  GLN  39           1HG      GLN  39   6.141   8.757  -8.017
  252    HG3  GLN  39           2HG      GLN  39   5.198  10.005  -8.827
  253   HE21  GLN  39          1HE2      GLN  39   5.607  12.118  -7.053
  254   HE22  GLN  39          2HE2      GLN  39   7.273  12.581  -7.125
  255    H    CYS  40           H        CYS  40   3.493   8.459  -3.682
  256    HA   CYS  40           HA       CYS  40   2.700   5.785  -4.286
  257    HB2  CYS  40           1HB      CYS  40   2.287   7.696  -2.115
  258    HB3  CYS  40           2HB      CYS  40   0.876   6.687  -2.426
  259    H    GLY  41           H        GLY  41   1.554   8.833  -5.287
  260    HA2  GLY  41           1HA      GLY  41   0.040   9.185  -7.017
  261    HA3  GLY  41           2HA      GLY  41  -0.478   7.514  -6.872
  262    H    ALA  42           H        ALA  42  -1.296   7.341  -4.279
  263    HA   ALA  42           HA       ALA  42  -3.307   9.456  -3.983
  264    HB1  ALA  42           1HB      ALA  42  -4.493   6.953  -3.286
  265    HB2  ALA  42           2HB      ALA  42  -5.000   8.122  -4.504
  266    HB3  ALA  42           3HB      ALA  42  -3.846   6.855  -4.923
  267    H    SER  43           H        SER  43  -4.093   6.896  -2.027
  268    HA   SER  43           HA       SER  43  -3.165   8.380   0.281
  269    HB2  SER  43           1HB      SER  43  -4.725   5.872   0.601
  270    HB3  SER  43           2HB      SER  43  -4.915   7.429   1.405
  271    HG   SER  43           HG       SER  43  -6.500   7.724   0.067
  272    H    VAL  44           H        VAL  44  -1.378   7.881   1.360
  273    HA   VAL  44           HA       VAL  44  -0.035   5.348   0.951
  274    HB   VAL  44           HB       VAL  44   0.742   7.463   2.957
  275   HG11  VAL  44          1HG1      VAL  44   3.049   6.538   2.286
  276   HG12  VAL  44          2HG1      VAL  44   2.026   5.558   3.337
  277   HG13  VAL  44          3HG1      VAL  44   2.147   5.178   1.618
  278   HG21  VAL  44          3HG2      VAL  44   2.079   8.547   1.294
  279   HG22  VAL  44          1HG2      VAL  44   1.644   7.340   0.084
  280   HG23  VAL  44          2HG2      VAL  44   0.423   8.459   0.694
  281    H    LYS  45           H        LYS  45  -0.298   3.599   2.182
  282    HA   LYS  45           HA       LYS  45  -1.659   3.945   4.776
  283    HB2  LYS  45           1HB      LYS  45  -1.832   1.605   2.870
  284    HB3  LYS  45           2HB      LYS  45  -2.626   1.707   4.435
  285    HG2  LYS  45           1HG      LYS  45  -3.149   3.811   2.392
  286    HG3  LYS  45           2HG      LYS  45  -3.934   2.239   2.247
  287    HD2  LYS  45           1HD      LYS  45  -4.025   3.882   4.765
  288    HD3  LYS  45           2HD      LYS  45  -5.227   4.029   3.481
  289    HE2  LYS  45           2HE      LYS  45  -6.040   1.882   3.820
  290    HE3  LYS  45           1HE      LYS  45  -4.576   1.352   4.648
  291    HZ1  LYS  45           3HZ      LYS  45  -5.322   3.181   6.348
  292    HZ2  LYS  45           1HZ      LYS  45  -5.977   1.616   6.403
  293    HZ3  LYS  45           2HZ      LYS  45  -6.856   2.873   5.682
  294    H    CYS  46           H        CYS  46  -0.644   3.233   6.517
  295    HA   CYS  46           HA       CYS  46   1.837   1.748   6.254
  296    HB2  CYS  46           1HB      CYS  46   0.388   2.797   8.703
  297    HB3  CYS  46           2HB      CYS  46   1.971   2.028   8.722
  298    H    CYS  47           H        CYS  47   1.367  -0.292   5.645
  299    HA   CYS  47           HA       CYS  47  -0.746  -1.685   7.145
  300    HB2  CYS  47           1HB      CYS  47  -1.012  -1.120   4.609
  301    HB3  CYS  47           2HB      CYS  47   0.078  -2.484   4.386
  302    H    LYS  48           H        LYS  48  -0.483  -3.850   7.635
  303    HA   LYS  48           HA       LYS  48   2.279  -4.838   7.521
  304    HB2  LYS  48           1HB      LYS  48   0.576  -4.654   9.670
  305    HB3  LYS  48           2HB      LYS  48   0.347  -6.320   9.157
  306    HG2  LYS  48           1HG      LYS  48   3.127  -5.302   9.437
  307    HG3  LYS  48           2HG      LYS  48   2.206  -5.644  10.903
  308    HD2  LYS  48           1HD      LYS  48   2.998  -7.734  10.630
  309    HD3  LYS  48           2HD      LYS  48   1.703  -7.875   9.439
  310    HE2  LYS  48           2HE      LYS  48   3.231  -7.280   7.659
  311    HE3  LYS  48           1HE      LYS  48   4.527  -7.014   8.824
  312    HZ1  LYS  48           3HZ      LYS  48   4.562  -9.321   9.354
  313    HZ2  LYS  48           1HZ      LYS  48   4.623  -9.188   7.664
  314    HZ3  LYS  48           2HZ      LYS  48   3.175  -9.630   8.432
  315    H    ASP  49           H        ASP  49   0.748  -4.943   5.208
  316    HA   ASP  49           HA       ASP  49  -0.604  -7.399   4.870
  317    HB2  ASP  49           1HB      ASP  49  -1.090  -5.843   3.192
  318    HB3  ASP  49           2HB      ASP  49   0.599  -5.391   2.983
  319    H    ASP  50           H        ASP  50   0.154  -9.398   4.294
  320    HA   ASP  50           HA       ASP  50   3.048  -9.753   4.461
  321    HB2  ASP  50           1HB      ASP  50   0.932 -11.208   5.523
  322    HB3  ASP  50           2HB      ASP  50   1.485 -12.199   4.175
  323    H    VAL  51           H        VAL  51   3.342  -8.790   2.402
  324    HA   VAL  51           HA       VAL  51   2.396  -9.218  -0.036
  325    HB   VAL  51           HB       VAL  51   5.087  -9.448  -0.608
  326   HG11  VAL  51          1HG1      VAL  51   4.822  -6.794  -0.453
  327   HG12  VAL  51          2HG1      VAL  51   4.082  -7.762  -1.728
  328   HG13  VAL  51          3HG1      VAL  51   3.124  -7.257  -0.338
  329   HG21  VAL  51          3HG2      VAL  51   4.745  -8.519   2.171
  330   HG22  VAL  51          1HG2      VAL  51   6.137  -9.260   1.381
  331   HG23  VAL  51          2HG2      VAL  51   5.807  -7.543   1.156
  332    H    THR  52           H        THR  52   1.687 -10.970  -0.990
  333    HA   THR  52           HA       THR  52   3.265 -13.449  -0.794
  334    HB   THR  52           HB       THR  52   0.577 -13.963  -1.626
  335    HG1  THR  52           1HG      THR  52   0.881 -12.281   0.664
  336   HG21  THR  52          3HG2      THR  52   1.366 -15.750  -0.499
  337   HG22  THR  52          1HG2      THR  52   0.759 -14.906   0.927
  338   HG23  THR  52          2HG2      THR  52   2.460 -14.770   0.479
  339    H    ASN  53           H        ASN  53   2.714 -14.976  -2.706
  340    HA   ASN  53           HA       ASN  53   3.414 -13.571  -5.119
  341    HB2  ASN  53           1HB      ASN  53   4.091 -15.608  -5.927
  342    HB3  ASN  53           2HB      ASN  53   4.123 -15.974  -4.207
  343   HD21  ASN  53          1HD2      ASN  53   3.133 -17.065  -7.140
  344   HD22  ASN  53          2HD2      ASN  53   1.874 -18.144  -6.637
  345    H    THR  54           H        THR  54   0.514 -14.086  -3.675
  346    HA   THR  54           HA       THR  54  -1.042 -14.988  -5.904
  347    HB   THR  54           HB       THR  54  -2.748 -13.818  -4.002
  348    HG1  THR  54           1HG      THR  54  -1.789 -14.055  -2.116
  349   HG21  THR  54          3HG2      THR  54  -2.125 -16.398  -5.104
  350   HG22  THR  54          1HG2      THR  54  -3.645 -15.817  -4.425
  351   HG23  THR  54          2HG2      THR  54  -2.429 -16.543  -3.373
  352    H    GLY  55           H        GLY  55   0.302 -12.015  -5.116
  353    HA2  GLY  55           1HA      GLY  55  -1.841 -10.312  -5.988
  354    HA3  GLY  55           2HA      GLY  55  -0.170  -9.834  -5.725
  355    H    ASN  56           H        ASN  56  -2.406  -9.778  -7.988
  356    HA   ASN  56           HA       ASN  56  -0.924 -10.874 -10.220
  357    HB2  ASN  56           1HB      ASN  56  -3.534 -10.637  -9.887
  358    HB3  ASN  56           2HB      ASN  56  -3.263  -9.039 -10.573
  359   HD21  ASN  56          1HD2      ASN  56  -4.491  -9.576 -12.382
  360   HD22  ASN  56          2HD2      ASN  56  -3.878 -10.612 -13.624
  361    H    SER  57           H        SER  57  -2.457  -7.797 -10.680
  362    HA   SER  57           HA       SER  57   0.049  -6.639 -11.531
  363    HB2  SER  57           1HB      SER  57  -2.519  -5.096 -11.380
  364    HB3  SER  57           2HB      SER  57  -1.226  -4.997 -12.576
  365    HG   SER  57           HG       SER  57  -2.073  -6.615 -13.666
  366    H    PHE  58           H        PHE  58  -2.311  -6.176  -8.948
  367    HA   PHE  58           HA       PHE  58  -0.297  -4.939  -7.303
  368    HB2  PHE  58           1HB      PHE  58  -1.419  -2.884  -6.894
  369    HB3  PHE  58           2HB      PHE  58  -1.349  -3.065  -8.639
  370    HD1  PHE  58           2HD      PHE  58  -3.581  -4.612  -9.414
  371    HD2  PHE  58           1HD      PHE  58  -3.289  -1.821  -6.220
  372    HE1  PHE  58           2HE      PHE  58  -6.007  -4.234  -9.528
  373    HE2  PHE  58           1HE      PHE  58  -5.706  -1.435  -6.327
  374    HZ   PHE  58           HZ       PHE  58  -7.078  -2.639  -7.982
  375    H    LEU  59           H        LEU  59  -1.038  -4.711  -5.040
  376    HA   LEU  59           HA       LEU  59  -2.616  -7.074  -4.435
  377    HB2  LEU  59           1HB      LEU  59  -1.220  -5.409  -2.376
  378    HB3  LEU  59           2HB      LEU  59  -1.565  -7.128  -2.360
  379    HG   LEU  59           HG       LEU  59   0.255  -6.253  -4.503
  380   HD11  LEU  59          1HD1      LEU  59   0.824  -5.750  -1.632
  381   HD12  LEU  59          2HD1      LEU  59   2.119  -6.396  -2.639
  382   HD13  LEU  59          3HD1      LEU  59   1.353  -4.865  -3.064
  383   HD21  LEU  59          3HD2      LEU  59  -0.409  -8.622  -3.863
  384   HD22  LEU  59          1HD2      LEU  59   1.316  -8.308  -4.056
  385   HD23  LEU  59          2HD2      LEU  59   0.612  -8.409  -2.442
  386    H    ILE  60           H        ILE  60  -4.736  -6.639  -4.464
  387    HA   ILE  60           HA       ILE  60  -5.811  -4.318  -3.087
  388    HB   ILE  60           HB       ILE  60  -7.730  -6.412  -3.816
  389   HG12  ILE  60          2HG1      ILE  60  -6.842  -5.086  -6.264
  390   HG13  ILE  60          1HG1      ILE  60  -5.624  -6.170  -5.598
  391   HG21  ILE  60          1HG2      ILE  60  -8.811  -4.482  -4.948
  392   HG22  ILE  60          2HG2      ILE  60  -8.456  -4.207  -3.243
  393   HG23  ILE  60          3HG2      ILE  60  -7.428  -3.494  -4.484
  394   HD11  ILE  60          3HD1      ILE  60  -6.939  -7.388  -7.161
  395   HD12  ILE  60          1HD1      ILE  60  -7.350  -7.962  -5.545
  396   HD13  ILE  60          2HD1      ILE  60  -8.438  -6.864  -6.395
  397    H    ILE  61           H        ILE  61  -5.400  -4.570  -0.910
  398    HA   ILE  61           HA       ILE  61  -5.732  -7.200   0.292
  399    HB   ILE  61           HB       ILE  61  -5.041  -5.577   2.373
  400   HG12  ILE  61          2HG1      ILE  61  -3.146  -4.596   0.337
  401   HG13  ILE  61          1HG1      ILE  61  -4.751  -3.875   0.266
  402   HG21  ILE  61          1HG2      ILE  61  -2.946  -6.701   0.563
  403   HG22  ILE  61          2HG2      ILE  61  -3.018  -6.699   2.326
  404   HG23  ILE  61          3HG2      ILE  61  -4.078  -7.764   1.399
  405   HD11  ILE  61          3HD1      ILE  61  -2.600  -3.347   2.072
  406   HD12  ILE  61          1HD1      ILE  61  -4.131  -2.494   1.870
  407   HD13  ILE  61          2HD1      ILE  61  -4.026  -3.872   2.966
  408    H    ASN  62           H        ASN  62  -6.616  -7.157   2.618
  409    HA   ASN  62           HA       ASN  62  -9.368  -6.329   2.352
  410    HB2  ASN  62           1HB      ASN  62  -8.019  -8.451   3.625
  411    HB3  ASN  62           2HB      ASN  62  -8.799  -7.526   4.905
  412   HD21  ASN  62          1HD2      ASN  62 -10.694  -8.413   5.398
  413   HD22  ASN  62          2HD2      ASN  62 -11.844  -9.040   4.257
  414    H    ALA  63           H        ALA  63  -6.647  -4.891   3.533
  415    HA   ALA  63           HA       ALA  63  -6.362  -2.819   4.402
  416    HB1  ALA  63           1HB      ALA  63  -8.050  -1.306   4.391
  417    HB2  ALA  63           2HB      ALA  63  -8.784  -2.559   3.390
  418    HB3  ALA  63           3HB      ALA  63  -9.216  -2.426   5.095
  419    H    ALA  64           H        ALA  64  -7.984  -5.268   6.188
  420    HA   ALA  64           HA       ALA  64  -8.095  -3.818   8.663
  421    HB1  ALA  64           1HB      ALA  64  -8.991  -5.806   9.618
  422    HB2  ALA  64           2HB      ALA  64  -9.691  -5.631   8.010
  423    HB3  ALA  64           3HB      ALA  64  -8.390  -6.790   8.284
  424    H    ASN  65           H        ASN  65  -5.553  -5.167   7.027
  425    HA   ASN  65           HA       ASN  65  -4.139  -5.971   9.459
  426    HB2  ASN  65           1HB      ASN  65  -2.301  -6.589   7.753
  427    HB3  ASN  65           2HB      ASN  65  -3.743  -7.589   7.828
  428   HD21  ASN  65          1HD2      ASN  65  -2.800  -8.175   5.699
  429   HD22  ASN  65          2HD2      ASN  65  -3.287  -7.256   4.325
  430    H    CYS  66           H        CYS  66  -4.478  -3.345   7.343
  431    HA   CYS  66           HA       CYS  66  -1.997  -2.061   8.041
  432    HB2  CYS  66           1HB      CYS  66  -4.361  -0.525   7.045
  433    HB3  CYS  66           2HB      CYS  66  -2.655  -0.324   6.663
  434    H    VAL  67           H        VAL  67  -1.739  -0.274   9.450
  435    HA   VAL  67           HA       VAL  67  -3.753  -0.199  11.587
  436    HB   VAL  67           HB       VAL  67  -1.910   1.066  12.846
  437   HG11  VAL  67          1HG1      VAL  67  -2.325  -1.052  13.641
  438   HG12  VAL  67          2HG1      VAL  67  -1.878  -1.829  12.121
  439   HG13  VAL  67          3HG1      VAL  67  -0.628  -1.174  13.179
  440   HG21  VAL  67          3HG2      VAL  67   0.098  -0.278  11.151
  441   HG22  VAL  67          1HG2      VAL  67  -0.640   1.174  10.475
  442   HG23  VAL  67          2HG2      VAL  67   0.188   1.249  12.029
  443    H    ALA  68           H        ALA  68  -2.486   1.633   9.015
  444    HA   ALA  68           HA       ALA  68  -4.214   3.867   9.715
  445    HB1  ALA  68           1HB      ALA  68  -2.581   5.542   9.516
  446    HB2  ALA  68           2HB      ALA  68  -1.822   4.312  10.526
  447    HB3  ALA  68           3HB      ALA  68  -1.402   4.432   8.817
  Start of MODEL   13
    1    H1   SER   1           1H       SER   1  -3.576  14.025  -1.956
    2    H2   SER   1           2H       SER   1  -2.028  13.846  -1.289
    3    H3   SER   1           3H       SER   1  -2.817  12.507  -1.974
    4    HA   SER   1           HA       SER   1  -2.807  13.729  -4.133
    5    HB2  SER   1           1HB      SER   1  -0.520  15.334  -3.113
    6    HB3  SER   1           2HB      SER   1  -1.719  15.738  -4.343
    7    HG   SER   1           HG       SER   1  -2.078  17.017  -2.538
    8    H    ALA   2           H        ALA   2  -0.227  14.055  -5.138
    9    HA   ALA   2           HA       ALA   2   0.769  11.370  -4.894
   10    HB1  ALA   2           1HB      ALA   2   1.877  11.757  -6.828
   11    HB2  ALA   2           2HB      ALA   2   0.744  13.103  -6.948
   12    HB3  ALA   2           3HB      ALA   2   2.379  13.376  -6.344
   13    H    THR   3           H        THR   3   1.779  10.916  -3.049
   14    HA   THR   3           HA       THR   3   3.718  12.836  -1.966
   15    HB   THR   3           HB       THR   3   3.418  10.486  -0.349
   16    HG1  THR   3           1HG      THR   3   1.053  11.655  -1.377
   17   HG21  THR   3          3HG2      THR   3   3.481  12.024   1.287
   18   HG22  THR   3          1HG2      THR   3   2.159  12.953   0.588
   19   HG23  THR   3          2HG2      THR   3   3.804  13.181  -0.006
   20    H    THR   4           H        THR   4   5.817  12.492  -2.112
   21    HA   THR   4           HA       THR   4   6.770  10.075  -3.421
   22    HB   THR   4           HB       THR   4   8.694  12.156  -2.526
   23    HG1  THR   4           1HG      THR   4   6.876  13.390  -3.254
   24   HG21  THR   4          3HG2      THR   4   9.354  10.207  -3.894
   25   HG22  THR   4          1HG2      THR   4   9.660  11.739  -4.715
   26   HG23  THR   4          2HG2      THR   4   8.267  10.758  -5.171
   27    H    ILE   5           H        ILE   5   6.657   8.476  -1.882
   28    HA   ILE   5           HA       ILE   5   7.632   8.846   0.783
   29    HB   ILE   5           HB       ILE   5   7.143   6.578   1.191
   30   HG12  ILE   5          2HG1      ILE   5   6.405   5.404  -1.253
   31   HG13  ILE   5          1HG1      ILE   5   7.952   6.194  -1.558
   32   HG21  ILE   5          1HG2      ILE   5   5.016   7.211   1.105
   33   HG22  ILE   5          2HG2      ILE   5   5.272   8.146  -0.367
   34   HG23  ILE   5          3HG2      ILE   5   4.946   6.415  -0.468
   35   HD11  ILE   5          3HD1      ILE   5   7.604   4.470   0.853
   36   HD12  ILE   5          1HD1      ILE   5   7.904   3.746  -0.728
   37   HD13  ILE   5          2HD1      ILE   5   9.072   4.871  -0.036
   38    H    GLY   6           H        GLY   6   9.554   8.208   1.680
   39    HA2  GLY   6           1HA      GLY   6  11.673   7.592  -0.276
   40    HA3  GLY   6           2HA      GLY   6  11.919   8.484   1.221
   41    HA   PRO   7           HA       PRO   7  13.275   4.436   2.527
   42    HB2  PRO   7           1HB      PRO   7  14.504   5.231   4.793
   43    HB3  PRO   7           2HB      PRO   7  15.210   5.487   3.194
   44    HG2  PRO   7           1HG      PRO   7  13.785   7.408   4.967
   45    HG3  PRO   7           2HG      PRO   7  15.191   7.678   3.926
   46    HD2  PRO   7           1HD      PRO   7  12.606   8.386   3.283
   47    HD3  PRO   7           2HD      PRO   7  13.897   8.103   2.099
   48    H    ASN   8           H        ASN   8  10.906   4.068   2.825
   49    HA   ASN   8           HA       ASN   8   9.247   3.125   4.031
   50    HB2  ASN   8           1HB      ASN   8  11.336   1.905   4.963
   51    HB3  ASN   8           2HB      ASN   8  11.073   2.891   6.401
   52   HD21  ASN   8          1HD2      ASN   8  10.934   0.350   6.906
   53   HD22  ASN   8          2HD2      ASN   8   9.301  -0.222   7.036
   54    H    THR   9           H        THR   9   8.002   4.977   4.109
   55    HA   THR   9           HA       THR   9   8.235   6.866   6.255
   56    HB   THR   9           HB       THR   9   5.758   6.685   4.616
   57    HG1  THR   9           1HG      THR   9   8.263   7.549   3.550
   58   HG21  THR   9          3HG2      THR   9   7.503   9.091   4.939
   59   HG22  THR   9          1HG2      THR   9   6.534   8.538   6.305
   60   HG23  THR   9          2HG2      THR   9   5.747   8.989   4.793
   61    H    CYS  10           H        CYS  10   6.978   3.782   6.077
   62    HA   CYS  10           HA       CYS  10   5.232   4.268   8.383
   63    HB2  CYS  10           1HB      CYS  10   4.562   2.758   5.867
   64    HB3  CYS  10           2HB      CYS  10   3.754   2.395   7.387
   65    H    SER  11           H        SER  11   7.754   3.486   8.795
   66    HA   SER  11           HA       SER  11   8.150   0.671   8.706
   67    HB2  SER  11           1HB      SER  11   9.705   1.988  10.762
   68    HB3  SER  11           2HB      SER  11  10.247   1.279   9.239
   69    HG   SER  11           HG       SER  11  10.175   3.191   8.295
   70    H    ILE  12           H        ILE  12   7.486   2.900  11.394
   71    HA   ILE  12           HA       ILE  12   6.859   2.559  13.554
   72    HB   ILE  12           HB       ILE  12   4.887   0.556  12.479
   73   HG12  ILE  12          2HG1      ILE  12   4.442   3.530  12.367
   74   HG13  ILE  12          1HG1      ILE  12   5.182   2.675  11.018
   75   HG21  ILE  12          1HG2      ILE  12   3.928   2.634  14.259
   76   HG22  ILE  12          2HG2      ILE  12   3.806   0.881  14.402
   77   HG23  ILE  12          3HG2      ILE  12   5.254   1.712  14.969
   78   HD11  ILE  12          3HD1      ILE  12   2.546   1.823  12.159
   79   HD12  ILE  12          1HD1      ILE  12   2.672   3.087  10.936
   80   HD13  ILE  12          2HD1      ILE  12   3.243   1.456  10.582
   81    H    ASP  13           H        ASP  13   5.623  -0.591  13.219
   82    HA   ASP  13           HA       ASP  13   7.757  -1.654  14.898
   83    HB2  ASP  13           1HB      ASP  13   5.532  -2.088  15.699
   84    HB3  ASP  13           2HB      ASP  13   5.025  -2.698  14.127
   85    H    ASP  14           H        ASP  14   5.842  -3.362  12.464
   86    HA   ASP  14           HA       ASP  14   8.196  -3.621  10.746
   87    HB2  ASP  14           1HB      ASP  14   8.033  -5.701  12.147
   88    HB3  ASP  14           2HB      ASP  14   6.444  -5.994  11.443
   89    H    TYR  15           H        TYR  15   6.385  -1.833  10.243
   90    HA   TYR  15           HA       TYR  15   4.298  -2.989   8.544
   91    HB2  TYR  15           1HB      TYR  15   4.705  -0.226   9.696
   92    HB3  TYR  15           2HB      TYR  15   3.428  -0.611   8.549
   93    HD1  TYR  15           2HD      TYR  15   4.692  -1.238  11.956
   94    HD2  TYR  15           1HD      TYR  15   1.458  -1.785   9.242
   95    HE1  TYR  15           2HE      TYR  15   3.265  -1.983  13.812
   96    HE2  TYR  15           1HE      TYR  15   0.026  -2.533  11.094
   97    HH   TYR  15           HH       TYR  15   1.263  -3.353  14.148
   98    H    LYS  16           H        LYS  16   3.843  -1.616   6.524
   99    HA   LYS  16           HA       LYS  16   6.332  -0.650   5.310
  100    HB2  LYS  16           1HB      LYS  16   4.588  -2.892   4.356
  101    HB3  LYS  16           2HB      LYS  16   5.392  -1.868   3.172
  102    HG2  LYS  16           1HG      LYS  16   7.102  -3.284   3.365
  103    HG3  LYS  16           2HG      LYS  16   7.426  -2.479   4.902
  104    HD2  LYS  16           1HD      LYS  16   5.691  -4.200   5.835
  105    HD3  LYS  16           2HD      LYS  16   6.088  -5.100   4.371
  106    HE2  LYS  16           2HE      LYS  16   7.588  -5.954   5.921
  107    HE3  LYS  16           1HE      LYS  16   8.542  -4.729   5.085
  108    HZ1  LYS  16           3HZ      LYS  16   8.252  -4.927   7.769
  109    HZ2  LYS  16           1HZ      LYS  16   7.126  -3.722   7.376
  110    HZ3  LYS  16           2HZ      LYS  16   8.751  -3.534   6.939
  111    HA   PRO  17           HA       PRO  17   3.599   2.470   3.743
  112    HB2  PRO  17           1HB      PRO  17   5.096   3.490   1.750
  113    HB3  PRO  17           2HB      PRO  17   5.520   3.707   3.453
  114    HG2  PRO  17           1HG      PRO  17   6.672   1.841   1.430
  115    HG3  PRO  17           2HG      PRO  17   7.484   2.722   2.736
  116    HD2  PRO  17           1HD      PRO  17   6.745   0.050   2.825
  117    HD3  PRO  17           2HD      PRO  17   7.086   1.063   4.240
  118    H    TYR  18           H        TYR  18   1.790   1.900   2.721
  119    HA   TYR  18           HA       TYR  18   1.998   0.790  -0.003
  120    HB2  TYR  18           1HB      TYR  18   0.192   0.014   2.277
  121    HB3  TYR  18           2HB      TYR  18  -0.260  -0.315   0.611
  122    HD1  TYR  18           1HD      TYR  18   1.357  -1.750  -0.784
  123    HD2  TYR  18           2HD      TYR  18   1.548  -1.473   3.458
  124    HE1  TYR  18           1HE      TYR  18   2.609  -3.869  -0.704
  125    HE2  TYR  18           2HE      TYR  18   2.806  -3.587   3.545
  126    HH   TYR  18           HH       TYR  18   2.872  -5.773   1.475
  127    H    CYS  19           H        CYS  19   1.291   2.333  -1.389
  128    HA   CYS  19           HA       CYS  19  -0.658   4.301  -0.563
  129    HB2  CYS  19           1HB      CYS  19  -0.449   4.515  -3.318
  130    HB3  CYS  19           2HB      CYS  19   0.493   5.422  -2.141
  131    H    CYS  20           H        CYS  20  -2.769   3.865  -0.491
  132    HA   CYS  20           HA       CYS  20  -3.753   1.607  -2.109
  133    HB2  CYS  20           1HB      CYS  20  -4.014   2.255   0.684
  134    HB3  CYS  20           2HB      CYS  20  -5.605   2.146  -0.064
  135    H    GLN  21           H        GLN  21  -5.677   1.710  -3.171
  136    HA   GLN  21           HA       GLN  21  -7.027   4.327  -3.248
  137    HB2  GLN  21           1HB      GLN  21  -7.832   3.300  -5.572
  138    HB3  GLN  21           2HB      GLN  21  -6.334   4.208  -5.430
  139    HG2  GLN  21           1HG      GLN  21  -6.063   1.332  -4.941
  140    HG3  GLN  21           2HG      GLN  21  -6.574   1.759  -6.572
  141   HE21  GLN  21          1HE2      GLN  21  -3.971   1.341  -4.541
  142   HE22  GLN  21          2HE2      GLN  21  -2.760   2.139  -5.483
  143    H    SER  22           H        SER  22  -9.233   3.177  -4.827
  144    HA   SER  22           HA       SER  22 -10.415   1.419  -2.789
  145    HB2  SER  22           1HB      SER  22 -12.497   2.894  -3.991
  146    HB3  SER  22           2HB      SER  22 -11.900   3.036  -2.337
  147    HG   SER  22           HG       SER  22 -11.316   4.964  -2.915
  148    H    MET  23           H        MET  23 -11.456  -0.352  -3.535
  149    HA   MET  23           HA       MET  23 -11.596  -0.740  -6.433
  150    HB2  MET  23           1HB      MET  23 -11.959  -2.670  -4.130
  151    HB3  MET  23           2HB      MET  23 -12.166  -3.109  -5.820
  152    HG2  MET  23           1HG      MET  23  -9.612  -1.927  -4.792
  153    HG3  MET  23           2HG      MET  23  -9.946  -3.655  -4.710
  154    HE1  MET  23           3HE      MET  23  -7.636  -1.618  -6.592
  155    HE2  MET  23           1HE      MET  23  -8.354  -1.298  -8.170
  156    HE3  MET  23           2HE      MET  23  -9.082  -0.614  -6.716
  157    H    SER  24           H        SER  24 -13.489  -0.898  -7.537
  158    HA   SER  24           HA       SER  24 -15.796   0.216  -6.265
  159    HB2  SER  24           1HB      SER  24 -16.203  -0.851  -8.952
  160    HB3  SER  24           2HB      SER  24 -16.335   0.810  -8.368
  161    HG   SER  24           HG       SER  24 -14.636   0.737  -9.811
  162    H    GLY  25           H        GLY  25 -15.355  -2.826  -8.116
  163    HA2  GLY  25           1HA      GLY  25 -17.845  -3.822  -6.958
  164    HA3  GLY  25           2HA      GLY  25 -16.935  -4.562  -8.266
  165    H    SER  26           H        SER  26 -14.404  -4.572  -6.946
  166    HA   SER  26           HA       SER  26 -14.707  -6.982  -5.428
  167    HB2  SER  26           1HB      SER  26 -12.075  -5.720  -5.306
  168    HB3  SER  26           2HB      SER  26 -12.543  -7.288  -5.966
  169    HG   SER  26           HG       SER  26 -11.889  -6.142  -7.708
  170    H    ALA  27           H        ALA  27 -14.539  -7.286  -3.264
  171    HA   ALA  27           HA       ALA  27 -14.848  -4.950  -1.590
  172    HB1  ALA  27           1HB      ALA  27 -14.736  -7.126   0.098
  173    HB2  ALA  27           2HB      ALA  27 -16.196  -6.425  -0.597
  174    HB3  ALA  27           3HB      ALA  27 -15.414  -7.797  -1.384
  175    H    SER  28           H        SER  28 -12.628  -4.227  -2.187
  176    HA   SER  28           HA       SER  28 -10.835  -4.786  -0.023
  177    HB2  SER  28           1HB      SER  28 -10.084  -5.603  -2.840
  178    HB3  SER  28           2HB      SER  28  -8.894  -5.334  -1.566
  179    HG   SER  28           HG       SER  28 -10.958  -6.961  -0.793
  180    H    LEU  29           H        LEU  29  -8.632  -3.514  -0.614
  181    HA   LEU  29           HA       LEU  29  -9.574  -0.845  -1.364
  182    HB2  LEU  29           1HB      LEU  29  -7.393  -1.903   0.357
  183    HB3  LEU  29           2HB      LEU  29  -7.139  -0.350  -0.411
  184    HG   LEU  29           HG       LEU  29  -7.994   0.242   1.664
  185   HD11  LEU  29          1HD1      LEU  29 -10.396   0.029  -0.143
  186   HD12  LEU  29          2HD1      LEU  29 -10.303   1.015   1.316
  187   HD13  LEU  29          3HD1      LEU  29  -9.255   1.373  -0.057
  188   HD21  LEU  29          3HD2      LEU  29  -8.542  -1.986   2.447
  189   HD22  LEU  29          1HD2      LEU  29  -9.883  -0.884   2.755
  190   HD23  LEU  29          2HD2      LEU  29  -9.970  -2.023   1.411
  191    H    GLY  30           H        GLY  30  -6.460  -2.546  -1.689
  192    HA2  GLY  30           1HA      GLY  30  -5.469  -2.984  -3.858
  193    HA3  GLY  30           2HA      GLY  30  -6.336  -1.582  -4.473
  194    H    CYS  31           H        CYS  31  -3.509  -2.710  -2.886
  195    HA   CYS  31           HA       CYS  31  -2.606   0.053  -2.404
  196    HB2  CYS  31           1HB      CYS  31  -2.490  -2.399  -0.800
  197    HB3  CYS  31           2HB      CYS  31  -0.943  -1.571  -0.924
  198    H    VAL  32           H        VAL  32  -0.473   0.595  -2.937
  199    HA   VAL  32           HA       VAL  32   1.051  -1.442  -4.431
  200    HB   VAL  32           HB       VAL  32   1.629   1.463  -4.833
  201   HG11  VAL  32          1HG1      VAL  32   3.158   0.267  -6.014
  202   HG12  VAL  32          2HG1      VAL  32   2.078  -1.109  -6.238
  203   HG13  VAL  32          3HG1      VAL  32   1.886   0.337  -7.233
  204   HG21  VAL  32          3HG2      VAL  32  -0.067   1.855  -6.355
  205   HG22  VAL  32          1HG2      VAL  32  -0.401   0.139  -6.587
  206   HG23  VAL  32          2HG2      VAL  32  -0.906   0.944  -5.101
  207    H    VAL  33           H        VAL  33   3.177  -1.737  -3.836
  208    HA   VAL  33           HA       VAL  33   3.822  -0.795  -1.199
  209    HB   VAL  33           HB       VAL  33   4.283  -3.126  -1.839
  210   HG11  VAL  33          1HG1      VAL  33   5.588  -1.882  -4.082
  211   HG12  VAL  33          2HG1      VAL  33   6.680  -2.987  -3.249
  212   HG13  VAL  33          3HG1      VAL  33   5.124  -3.566  -3.841
  213   HG21  VAL  33          3HG2      VAL  33   6.816  -3.051  -1.180
  214   HG22  VAL  33          1HG2      VAL  33   6.480  -1.340  -0.915
  215   HG23  VAL  33          2HG2      VAL  33   5.572  -2.565  -0.028
  216    H    GLY  34           H        GLY  34   5.217   0.753  -0.630
  217    HA2  GLY  34           1HA      GLY  34   6.217   2.619  -2.496
  218    HA3  GLY  34           2HA      GLY  34   6.684   2.505  -0.805
  219    H    VAL  35           H        VAL  35   7.850   2.429  -3.841
  220    HA   VAL  35           HA       VAL  35   9.795   0.292  -3.467
  221    HB   VAL  35           HB       VAL  35  10.017   2.117  -5.794
  222   HG11  VAL  35          1HG1      VAL  35  10.926  -0.435  -5.072
  223   HG12  VAL  35          2HG1      VAL  35   9.781  -0.680  -6.389
  224   HG13  VAL  35          3HG1      VAL  35  11.158   0.399  -6.610
  225   HG21  VAL  35          3HG2      VAL  35   8.143   1.213  -6.977
  226   HG22  VAL  35          1HG2      VAL  35   7.758   0.127  -5.641
  227   HG23  VAL  35          2HG2      VAL  35   7.558   1.870  -5.447
  228    H    ILE  36           H        ILE  36   9.540   3.321  -2.397
  229    HA   ILE  36           HA       ILE  36  10.990   4.780  -1.419
  230    HB   ILE  36           HB       ILE  36  13.161   2.950  -2.466
  231   HG12  ILE  36          2HG1      ILE  36  12.382   3.416   0.405
  232   HG13  ILE  36          1HG1      ILE  36  11.544   2.219  -0.581
  233   HG21  ILE  36          1HG2      ILE  36  13.803   5.392  -2.191
  234   HG22  ILE  36          2HG2      ILE  36  13.520   5.161  -0.466
  235   HG23  ILE  36          3HG2      ILE  36  14.763   4.219  -1.289
  236   HD11  ILE  36          3HD1      ILE  36  13.848   1.238  -1.038
  237   HD12  ILE  36          1HD1      ILE  36  14.413   2.255   0.289
  238   HD13  ILE  36          2HD1      ILE  36  13.180   1.027   0.580
  239    H    GLY  37           H        GLY  37  10.964   6.709  -2.318
  240    HA2  GLY  37           1HA      GLY  37  11.579   8.411  -3.796
  241    HA3  GLY  37           2HA      GLY  37  12.390   7.214  -4.802
  242    H    SER  38           H        SER  38   9.187   6.579  -3.733
  243    HA   SER  38           HA       SER  38   8.294   6.807  -6.520
  244    HB2  SER  38           1HB      SER  38   6.636   5.250  -4.658
  245    HB3  SER  38           2HB      SER  38   7.236   4.826  -6.263
  246    HG   SER  38           HG       SER  38   9.365   4.666  -5.073
  247    H    GLN  39           H        GLN  39   6.707   8.153  -7.043
  248    HA   GLN  39           HA       GLN  39   5.445   9.744  -4.968
  249    HB2  GLN  39           1HB      GLN  39   6.153  10.115  -7.719
  250    HB3  GLN  39           2HB      GLN  39   4.427  10.394  -7.537
  251    HG2  GLN  39           1HG      GLN  39   4.726  12.312  -6.433
  252    HG3  GLN  39           2HG      GLN  39   6.060  11.667  -5.476
  253   HE21  GLN  39          1HE2      GLN  39   7.444  13.356  -5.703
  254   HE22  GLN  39          2HE2      GLN  39   8.133  13.837  -7.218
  255    H    CYS  40           H        CYS  40   3.977   8.369  -3.985
  256    HA   CYS  40           HA       CYS  40   2.049   6.888  -5.546
  257    HB2  CYS  40           1HB      CYS  40   2.321   7.381  -2.570
  258    HB3  CYS  40           2HB      CYS  40   1.017   6.433  -3.275
  259    H    GLY  41           H        GLY  41   0.346   7.821  -6.461
  260    HA2  GLY  41           1HA      GLY  41  -0.587  10.419  -5.611
  261    HA3  GLY  41           2HA      GLY  41  -1.256   9.441  -6.913
  262    H    ALA  42           H        ALA  42  -1.478   7.096  -5.173
  263    HA   ALA  42           HA       ALA  42  -4.044   7.663  -3.992
  264    HB1  ALA  42           1HB      ALA  42  -3.714   5.172  -3.262
  265    HB2  ALA  42           2HB      ALA  42  -4.018   5.564  -4.955
  266    HB3  ALA  42           3HB      ALA  42  -2.376   5.220  -4.410
  267    H    SER  43           H        SER  43  -4.565   7.229  -1.749
  268    HA   SER  43           HA       SER  43  -2.887   8.603   0.011
  269    HB2  SER  43           1HB      SER  43  -4.820   6.720   1.212
  270    HB3  SER  43           2HB      SER  43  -4.648   8.461   1.438
  271    HG   SER  43           HG       SER  43  -6.324   8.590   0.183
  272    H    VAL  44           H        VAL  44  -1.140   8.005   1.083
  273    HA   VAL  44           HA       VAL  44  -0.186   5.304   0.967
  274    HB   VAL  44           HB       VAL  44   1.028   7.479   2.658
  275   HG11  VAL  44          1HG1      VAL  44   1.896   4.881   1.523
  276   HG12  VAL  44          2HG1      VAL  44   3.094   6.174   1.585
  277   HG13  VAL  44          3HG1      VAL  44   2.299   5.635   3.065
  278   HG21  VAL  44          3HG2      VAL  44   2.354   7.452   0.194
  279   HG22  VAL  44          1HG2      VAL  44   0.634   7.515  -0.196
  280   HG23  VAL  44          2HG2      VAL  44   1.346   8.742   0.853
  281    H    LYS  45           H        LYS  45  -0.646   3.750   2.339
  282    HA   LYS  45           HA       LYS  45  -1.470   4.453   5.081
  283    HB2  LYS  45           1HB      LYS  45  -2.173   1.840   3.787
  284    HB3  LYS  45           2HB      LYS  45  -2.980   2.674   5.107
  285    HG2  LYS  45           1HG      LYS  45  -2.982   4.062   2.501
  286    HG3  LYS  45           2HG      LYS  45  -3.935   2.581   2.604
  287    HD2  LYS  45           1HD      LYS  45  -4.146   4.798   4.625
  288    HD3  LYS  45           2HD      LYS  45  -5.139   4.739   3.168
  289    HE2  LYS  45           2HE      LYS  45  -6.470   3.151   4.008
  290    HE3  LYS  45           1HE      LYS  45  -5.109   2.226   4.642
  291    HZ1  LYS  45           3HZ      LYS  45  -6.863   3.385   6.209
  292    HZ2  LYS  45           1HZ      LYS  45  -5.812   4.704   6.021
  293    HZ3  LYS  45           2HZ      LYS  45  -5.226   3.239   6.650
  294    H    CYS  46           H        CYS  46  -0.778   3.055   6.764
  295    HA   CYS  46           HA       CYS  46   1.690   1.602   6.108
  296    HB2  CYS  46           1HB      CYS  46   0.828   2.219   8.912
  297    HB3  CYS  46           2HB      CYS  46   2.456   2.011   8.272
  298    H    CYS  47           H        CYS  47   1.045  -0.376   5.506
  299    HA   CYS  47           HA       CYS  47  -0.799  -1.842   7.269
  300    HB2  CYS  47           1HB      CYS  47  -0.007  -2.500   4.422
  301    HB3  CYS  47           2HB      CYS  47  -1.263  -3.284   5.374
  302    H    LYS  48           H        LYS  48  -0.307  -4.033   7.804
  303    HA   LYS  48           HA       LYS  48   2.538  -4.602   7.988
  304    HB2  LYS  48           1HB      LYS  48   0.157  -5.350   9.426
  305    HB3  LYS  48           2HB      LYS  48   1.026  -6.795   8.924
  306    HG2  LYS  48           1HG      LYS  48   3.046  -5.242   9.890
  307    HG3  LYS  48           2HG      LYS  48   1.704  -4.798  10.949
  308    HD2  LYS  48           1HD      LYS  48   1.311  -7.284  11.262
  309    HD3  LYS  48           2HD      LYS  48   2.865  -7.536  10.465
  310    HE2  LYS  48           2HE      LYS  48   4.060  -6.631  12.208
  311    HE3  LYS  48           1HE      LYS  48   2.713  -5.636  12.753
  312    HZ1  LYS  48           3HZ      LYS  48   3.177  -8.514  13.221
  313    HZ2  LYS  48           1HZ      LYS  48   1.627  -7.839  13.374
  314    HZ3  LYS  48           2HZ      LYS  48   2.894  -7.287  14.353
  315    H    ASP  49           H        ASP  49  -0.316  -5.649   6.330
  316    HA   ASP  49           HA       ASP  49  -0.762  -7.082   4.656
  317    HB2  ASP  49           1HB      ASP  49   1.097  -5.556   3.675
  318    HB3  ASP  49           2HB      ASP  49   2.135  -6.968   3.840
  319    H    ASP  50           H        ASP  50   0.969  -8.986   3.408
  320    HA   ASP  50           HA       ASP  50   1.894 -10.752   5.537
  321    HB2  ASP  50           1HB      ASP  50  -0.603 -11.214   4.747
  322    HB3  ASP  50           2HB      ASP  50   0.211 -11.986   3.389
  323    H    VAL  51           H        VAL  51   3.637  -9.503   4.259
  324    HA   VAL  51           HA       VAL  51   4.225 -10.034   1.592
  325    HB   VAL  51           HB       VAL  51   6.680  -9.525   2.450
  326   HG11  VAL  51          1HG1      VAL  51   6.300  -7.451   1.677
  327   HG12  VAL  51          2HG1      VAL  51   4.699  -8.086   1.301
  328   HG13  VAL  51          3HG1      VAL  51   4.958  -7.171   2.786
  329   HG21  VAL  51          3HG2      VAL  51   6.075  -9.830   4.837
  330   HG22  VAL  51          1HG2      VAL  51   6.728  -8.230   4.487
  331   HG23  VAL  51          2HG2      VAL  51   4.992  -8.445   4.708
  332    H    THR  52           H        THR  52   4.904 -11.786   0.596
  333    HA   THR  52           HA       THR  52   6.007 -14.002   2.148
  334    HB   THR  52           HB       THR  52   5.638 -14.554  -0.672
  335    HG1  THR  52           1HG      THR  52   3.187 -14.027   0.617
  336   HG21  THR  52          3HG2      THR  52   5.661 -16.411   0.704
  337   HG22  THR  52          1HG2      THR  52   3.929 -16.174   0.471
  338   HG23  THR  52          2HG2      THR  52   4.701 -15.621   1.956
  339    H    ASN  53           H        ASN  53   6.785 -11.738  -0.412
  340    HA   ASN  53           HA       ASN  53   9.598 -12.237  -0.039
  341    HB2  ASN  53           1HB      ASN  53   8.870 -13.978  -1.726
  342    HB3  ASN  53           2HB      ASN  53   8.474 -12.655  -2.816
  343   HD21  ASN  53          1HD2      ASN  53  10.115 -14.148  -3.971
  344   HD22  ASN  53          2HD2      ASN  53  11.769 -13.630  -3.881
  345    H    THR  54           H        THR  54   8.432 -11.036  -3.090
  346    HA   THR  54           HA       THR  54   9.293  -8.347  -2.315
  347    HB   THR  54           HB       THR  54   8.718  -8.361  -5.052
  348    HG1  THR  54           1HG      THR  54  10.315 -10.299  -5.423
  349   HG21  THR  54          3HG2      THR  54  11.482  -8.913  -4.601
  350   HG22  THR  54          1HG2      THR  54  10.887  -7.873  -3.307
  351   HG23  THR  54          2HG2      THR  54  10.712  -7.375  -4.991
  352    H    GLY  55           H        GLY  55   6.547 -10.146  -3.562
  353    HA2  GLY  55           1HA      GLY  55   4.310  -9.416  -3.090
  354    HA3  GLY  55           2HA      GLY  55   4.887  -7.756  -3.121
  355    H    ASN  56           H        ASN  56   3.641  -6.893  -4.685
  356    HA   ASN  56           HA       ASN  56   4.066  -7.804  -7.406
  357    HB2  ASN  56           1HB      ASN  56   2.118  -9.127  -6.572
  358    HB3  ASN  56           2HB      ASN  56   1.271  -7.622  -6.244
  359   HD21  ASN  56          1HD2      ASN  56   3.292  -8.433  -9.044
  360   HD22  ASN  56          2HD2      ASN  56   2.008  -8.293 -10.211
  361    H    SER  57           H        SER  57   2.827  -6.263  -8.945
  362    HA   SER  57           HA       SER  57   3.594  -3.601  -8.228
  363    HB2  SER  57           1HB      SER  57   2.176  -3.485 -10.627
  364    HB3  SER  57           2HB      SER  57   3.922  -3.677 -10.459
  365    HG   SER  57           HG       SER  57   2.146  -5.426 -11.423
  366    H    PHE  58           H        PHE  58   0.768  -5.447  -7.930
  367    HA   PHE  58           HA       PHE  58  -0.624  -3.125  -6.894
  368    HB2  PHE  58           1HB      PHE  58  -1.244  -3.928  -9.440
  369    HB3  PHE  58           2HB      PHE  58  -2.407  -4.843  -8.484
  370    HD1  PHE  58           1HD      PHE  58  -1.217  -1.461  -9.323
  371    HD2  PHE  58           2HD      PHE  58  -4.226  -3.781  -7.417
  372    HE1  PHE  58           1HE      PHE  58  -2.631   0.543  -9.132
  373    HE2  PHE  58           2HE      PHE  58  -5.650  -1.787  -7.221
  374    HZ   PHE  58           HZ       PHE  58  -4.853   0.381  -8.081
  375    H    LEU  59           H        LEU  59  -0.520  -3.914  -4.862
  376    HA   LEU  59           HA       LEU  59  -1.375  -6.644  -4.309
  377    HB2  LEU  59           1HB      LEU  59  -0.442  -4.521  -2.376
  378    HB3  LEU  59           2HB      LEU  59  -0.622  -6.232  -2.044
  379    HG   LEU  59           HG       LEU  59   1.153  -6.171  -4.172
  380   HD11  LEU  59          1HD1      LEU  59   1.265  -3.651  -2.740
  381   HD12  LEU  59          2HD1      LEU  59   2.796  -4.525  -2.682
  382   HD13  LEU  59          3HD1      LEU  59   2.059  -4.137  -4.237
  383   HD21  LEU  59          3HD2      LEU  59   1.524  -6.422  -1.198
  384   HD22  LEU  59          1HD2      LEU  59   1.412  -7.707  -2.402
  385   HD23  LEU  59          2HD2      LEU  59   2.840  -6.673  -2.345
  386    H    ILE  60           H        ILE  60  -3.570  -6.605  -4.675
  387    HA   ILE  60           HA       ILE  60  -5.230  -4.562  -3.518
  388    HB   ILE  60           HB       ILE  60  -6.048  -7.153  -4.848
  389   HG12  ILE  60          2HG1      ILE  60  -6.610  -4.920  -6.479
  390   HG13  ILE  60          1HG1      ILE  60  -4.953  -4.711  -5.919
  391   HG21  ILE  60          1HG2      ILE  60  -7.987  -5.128  -5.168
  392   HG22  ILE  60          2HG2      ILE  60  -8.127  -6.637  -4.267
  393   HG23  ILE  60          3HG2      ILE  60  -7.565  -5.176  -3.456
  394   HD11  ILE  60          3HD1      ILE  60  -4.454  -6.996  -6.739
  395   HD12  ILE  60          1HD1      ILE  60  -6.085  -7.073  -7.401
  396   HD13  ILE  60          2HD1      ILE  60  -4.942  -5.874  -8.009
  397    H    ILE  61           H        ILE  61  -4.574  -4.826  -1.326
  398    HA   ILE  61           HA       ILE  61  -5.602  -7.215   0.023
  399    HB   ILE  61           HB       ILE  61  -4.485  -5.469   1.933
  400   HG12  ILE  61          2HG1      ILE  61  -2.182  -5.975   0.241
  401   HG13  ILE  61          1HG1      ILE  61  -3.321  -4.880  -0.535
  402   HG21  ILE  61          1HG2      ILE  61  -2.704  -7.329   1.951
  403   HG22  ILE  61          2HG2      ILE  61  -4.378  -7.745   2.325
  404   HG23  ILE  61          3HG2      ILE  61  -3.718  -8.092   0.726
  405   HD11  ILE  61          3HD1      ILE  61  -3.275  -3.672   1.778
  406   HD12  ILE  61          1HD1      ILE  61  -1.739  -4.520   1.952
  407   HD13  ILE  61          2HD1      ILE  61  -1.986  -3.415   0.601
  408    H    ASN  62           H        ASN  62  -6.097  -6.218   2.503
  409    HA   ASN  62           HA       ASN  62  -8.237  -4.249   2.112
  410    HB2  ASN  62           1HB      ASN  62  -8.728  -6.916   2.533
  411    HB3  ASN  62           2HB      ASN  62  -8.769  -6.275   4.173
  412   HD21  ASN  62          1HD2      ASN  62 -10.713  -7.123   1.817
  413   HD22  ASN  62          2HD2      ASN  62 -11.983  -5.951   1.985
  414    H    ALA  63           H        ALA  63  -8.988  -3.365   4.264
  415    HA   ALA  63           HA       ALA  63  -6.639  -2.363   5.594
  416    HB1  ALA  63           1HB      ALA  63  -9.251  -1.606   6.686
  417    HB2  ALA  63           2HB      ALA  63  -7.906  -0.600   6.147
  418    HB3  ALA  63           3HB      ALA  63  -9.036  -1.267   4.970
  419    H    ALA  64           H        ALA  64  -7.496  -5.205   6.022
  420    HA   ALA  64           HA       ALA  64  -8.397  -5.341   8.752
  421    HB1  ALA  64           1HB      ALA  64  -7.495  -7.427   6.782
  422    HB2  ALA  64           2HB      ALA  64  -7.936  -7.807   8.447
  423    HB3  ALA  64           3HB      ALA  64  -9.129  -7.104   7.357
  424    H    ASN  65           H        ASN  65  -5.365  -5.342   7.066
  425    HA   ASN  65           HA       ASN  65  -3.980  -5.904   9.601
  426    HB2  ASN  65           1HB      ASN  65  -2.071  -6.643   8.314
  427    HB3  ASN  65           2HB      ASN  65  -3.503  -7.508   7.769
  428   HD21  ASN  65          1HD2      ASN  65  -3.770  -7.644   5.656
  429   HD22  ASN  65          2HD2      ASN  65  -3.070  -6.574   4.483
  430    H    CYS  66           H        CYS  66  -4.782  -3.482   7.471
  431    HA   CYS  66           HA       CYS  66  -2.451  -1.836   7.857
  432    HB2  CYS  66           1HB      CYS  66  -5.179  -1.061   6.803
  433    HB3  CYS  66           2HB      CYS  66  -3.691  -0.132   6.641
  434    H    VAL  67           H        VAL  67  -2.075  -1.187   9.883
  435    HA   VAL  67           HA       VAL  67  -4.219  -0.463  11.673
  436    HB   VAL  67           HB       VAL  67  -1.843  -1.533  12.200
  437   HG11  VAL  67          1HG1      VAL  67  -1.343   1.430  12.384
  438   HG12  VAL  67          2HG1      VAL  67  -0.386   0.229  13.252
  439   HG13  VAL  67          3HG1      VAL  67  -0.417   0.223  11.488
  440   HG21  VAL  67          3HG2      VAL  67  -3.897  -0.771  13.688
  441   HG22  VAL  67          1HG2      VAL  67  -2.367  -1.288  14.401
  442   HG23  VAL  67          2HG2      VAL  67  -2.730   0.430  14.239
  443    H    ALA  68           H        ALA  68  -2.376   1.085   9.306
  444    HA   ALA  68           HA       ALA  68  -3.423   3.676  10.151
  445    HB1  ALA  68           1HB      ALA  68  -0.981   4.395   9.140
  446    HB2  ALA  68           2HB      ALA  68  -1.393   4.308  10.852
  447    HB3  ALA  68           3HB      ALA  68  -0.594   2.945  10.068
  Start of MODEL   14
    1    H1   SER   1           1H       SER   1  -2.435  14.711  -3.048
    2    H2   SER   1           2H       SER   1  -3.562  15.823  -3.658
    3    H3   SER   1           3H       SER   1  -1.934  15.938  -4.104
    4    HA   SER   1           HA       SER   1  -3.924  13.925  -4.907
    5    HB2  SER   1           1HB      SER   1  -2.209  14.834  -6.996
    6    HB3  SER   1           2HB      SER   1  -3.934  15.143  -6.789
    7    HG   SER   1           HG       SER   1  -3.122  17.137  -6.699
    8    H    ALA   2           H        ALA   2  -0.449  14.670  -4.967
    9    HA   ALA   2           HA       ALA   2   0.078  11.772  -5.009
   10    HB1  ALA   2           1HB      ALA   2   2.126  13.481  -6.254
   11    HB2  ALA   2           2HB      ALA   2   1.508  11.906  -6.750
   12    HB3  ALA   2           3HB      ALA   2   0.606  13.370  -7.142
   13    H    THR   3           H        THR   3   1.724  11.074  -3.677
   14    HA   THR   3           HA       THR   3   3.075  13.147  -2.082
   15    HB   THR   3           HB       THR   3   2.671  10.686  -0.604
   16    HG1  THR   3           1HG      THR   3   0.553  11.670  -2.002
   17   HG21  THR   3          3HG2      THR   3   1.835  12.284   1.097
   18   HG22  THR   3          1HG2      THR   3   1.937  13.573  -0.105
   19   HG23  THR   3          2HG2      THR   3   3.403  12.752   0.433
   20    H    THR   4           H        THR   4   5.185  12.887  -1.802
   21    HA   THR   4           HA       THR   4   6.481  10.632  -3.102
   22    HB   THR   4           HB       THR   4   8.099  12.704  -1.728
   23    HG1  THR   4           1HG      THR   4   6.484  14.019  -2.590
   24   HG21  THR   4          3HG2      THR   4   9.287  11.126  -3.027
   25   HG22  THR   4          1HG2      THR   4   9.262  12.606  -3.982
   26   HG23  THR   4          2HG2      THR   4   8.167  11.282  -4.381
   27    H    ILE   5           H        ILE   5   6.699   8.856  -1.926
   28    HA   ILE   5           HA       ILE   5   7.046   9.057   0.965
   29    HB   ILE   5           HB       ILE   5   6.408   6.830   1.151
   30   HG12  ILE   5          2HG1      ILE   5   6.428   6.017  -1.672
   31   HG13  ILE   5          1HG1      ILE   5   8.027   6.346  -1.013
   32   HG21  ILE   5          1HG2      ILE   5   4.888   7.402  -1.350
   33   HG22  ILE   5          2HG2      ILE   5   4.323   6.739   0.184
   34   HG23  ILE   5          3HG2      ILE   5   4.701   8.456   0.052
   35   HD11  ILE   5          3HD1      ILE   5   6.557   4.005  -0.775
   36   HD12  ILE   5          1HD1      ILE   5   8.040   4.427   0.083
   37   HD13  ILE   5          2HD1      ILE   5   6.470   4.761   0.817
   38    H    GLY   6           H        GLY   6   8.783   8.083   2.070
   39    HA2  GLY   6           1HA      GLY   6  11.173   7.756   0.368
   40    HA3  GLY   6           2HA      GLY   6  11.202   8.529   1.945
   41    HA   PRO   7           HA       PRO   7  12.424   4.223   2.790
   42    HB2  PRO   7           1HB      PRO   7  14.313   4.775   4.610
   43    HB3  PRO   7           2HB      PRO   7  14.610   4.981   2.879
   44    HG2  PRO   7           1HG      PRO   7  13.940   7.039   4.945
   45    HG3  PRO   7           2HG      PRO   7  15.121   7.122   3.626
   46    HD2  PRO   7           1HD      PRO   7  12.611   8.238   3.530
   47    HD3  PRO   7           2HD      PRO   7  13.544   7.753   2.100
   48    H    ASN   8           H        ASN   8  11.341   6.777   4.903
   49    HA   ASN   8           HA       ASN   8  10.536   4.757   6.883
   50    HB2  ASN   8           1HB      ASN   8  10.858   6.648   8.605
   51    HB3  ASN   8           2HB      ASN   8  12.289   5.820   8.003
   52   HD21  ASN   8          1HD2      ASN   8  13.892   7.171   7.744
   53   HD22  ASN   8          2HD2      ASN   8  13.782   8.795   7.140
   54    H    THR   9           H        THR   9   8.879   5.584   4.834
   55    HA   THR   9           HA       THR   9   7.074   7.597   5.807
   56    HB   THR   9           HB       THR   9   5.909   5.802   3.850
   57    HG1  THR   9           1HG      THR   9   7.501   5.674   2.426
   58   HG21  THR   9          3HG2      THR   9   5.741   7.885   2.559
   59   HG22  THR   9          1HG2      THR   9   6.788   8.693   3.725
   60   HG23  THR   9          2HG2      THR   9   5.197   8.113   4.220
   61    H    CYS  10           H        CYS  10   7.717   4.640   6.923
   62    HA   CYS  10           HA       CYS  10   5.070   4.378   8.117
   63    HB2  CYS  10           1HB      CYS  10   5.522   2.770   6.081
   64    HB3  CYS  10           2HB      CYS  10   6.480   1.879   7.261
   65    H    SER  11           H        SER  11   6.384   5.425   9.802
   66    HA   SER  11           HA       SER  11   8.468   3.868  11.046
   67    HB2  SER  11           1HB      SER  11   7.505   6.053  12.671
   68    HB3  SER  11           2HB      SER  11   9.073   5.858  11.886
   69    HG   SER  11           HG       SER  11   6.748   7.147  10.965
   70    H    ILE  12           H        ILE  12   6.376   2.242  11.043
   71    HA   ILE  12           HA       ILE  12   5.550   2.177  13.858
   72    HB   ILE  12           HB       ILE  12   3.706   1.559  11.541
   73   HG12  ILE  12          2HG1      ILE  12   2.875   3.579  13.487
   74   HG13  ILE  12          1HG1      ILE  12   4.323   4.037  12.600
   75   HG21  ILE  12          1HG2      ILE  12   3.264   1.426  14.520
   76   HG22  ILE  12          2HG2      ILE  12   1.990   1.280  13.308
   77   HG23  ILE  12          3HG2      ILE  12   3.276   0.074  13.386
   78   HD11  ILE  12          3HD1      ILE  12   3.058   3.515  10.493
   79   HD12  ILE  12          1HD1      ILE  12   1.615   3.383  11.497
   80   HD13  ILE  12          2HD1      ILE  12   2.491   4.911  11.409
   81    H    ASP  13           H        ASP  13   7.017   0.605  14.352
   82    HA   ASP  13           HA       ASP  13   7.772  -1.514  14.680
   83    HB2  ASP  13           1HB      ASP  13   5.080  -1.683  14.757
   84    HB3  ASP  13           2HB      ASP  13   5.405  -2.782  13.422
   85    H    ASP  14           H        ASP  14   6.518  -3.648  12.693
   86    HA   ASP  14           HA       ASP  14   8.499  -3.168  10.570
   87    HB2  ASP  14           1HB      ASP  14   8.798  -5.236  11.982
   88    HB3  ASP  14           2HB      ASP  14   7.267  -5.820  11.339
   89    H    TYR  15           H        TYR  15   6.353  -1.748  10.174
   90    HA   TYR  15           HA       TYR  15   4.674  -3.263   8.302
   91    HB2  TYR  15           1HB      TYR  15   4.261  -0.707   9.822
   92    HB3  TYR  15           2HB      TYR  15   3.347  -1.009   8.349
   93    HD1  TYR  15           1HD      TYR  15   4.035  -2.292  11.750
   94    HD2  TYR  15           2HD      TYR  15   1.497  -2.487   8.344
   95    HE1  TYR  15           1HE      TYR  15   2.425  -3.634  13.035
   96    HE2  TYR  15           2HE      TYR  15  -0.123  -3.827   9.619
   97    HH   TYR  15           HH       TYR  15  -0.329  -5.155  11.510
   98    H    LYS  16           H        LYS  16   4.154  -2.133   6.238
   99    HA   LYS  16           HA       LYS  16   6.594  -0.798   5.266
  100    HB2  LYS  16           1HB      LYS  16   4.735  -2.637   3.741
  101    HB3  LYS  16           2HB      LYS  16   6.183  -1.874   3.102
  102    HG2  LYS  16           1HG      LYS  16   7.269  -3.721   3.676
  103    HG3  LYS  16           2HG      LYS  16   7.079  -3.210   5.354
  104    HD2  LYS  16           1HD      LYS  16   4.652  -4.382   4.769
  105    HD3  LYS  16           2HD      LYS  16   5.811  -5.398   3.910
  106    HE2  LYS  16           2HE      LYS  16   6.400  -4.619   6.721
  107    HE3  LYS  16           1HE      LYS  16   5.184  -5.863   6.428
  108    HZ1  LYS  16           3HZ      LYS  16   6.926  -7.241   6.390
  109    HZ2  LYS  16           1HZ      LYS  16   8.053  -5.989   6.170
  110    HZ3  LYS  16           2HZ      LYS  16   7.226  -6.634   4.834
  111    HA   PRO  17           HA       PRO  17   3.963   2.476   3.860
  112    HB2  PRO  17           1HB      PRO  17   5.860   3.251   1.836
  113    HB3  PRO  17           2HB      PRO  17   5.573   4.000   3.406
  114    HG2  PRO  17           1HG      PRO  17   7.877   2.665   2.727
  115    HG3  PRO  17           2HG      PRO  17   7.304   2.887   4.389
  116    HD2  PRO  17           1HD      PRO  17   7.081   0.494   2.607
  117    HD3  PRO  17           2HD      PRO  17   7.392   0.577   4.356
  118    H    TYR  18           H        TYR  18   2.222   1.913   2.735
  119    HA   TYR  18           HA       TYR  18   2.601   0.755   0.056
  120    HB2  TYR  18           1HB      TYR  18   0.663   0.198   2.260
  121    HB3  TYR  18           2HB      TYR  18   0.131  -0.025   0.597
  122    HD1  TYR  18           2HD      TYR  18   1.467  -1.597  -0.889
  123    HD2  TYR  18           1HD      TYR  18   1.966  -1.424   3.327
  124    HE1  TYR  18           2HE      TYR  18   2.528  -3.815  -0.933
  125    HE2  TYR  18           1HE      TYR  18   3.029  -3.641   3.301
  126    HH   TYR  18           HH       TYR  18   2.889  -5.736   1.646
  127    H    CYS  19           H        CYS  19   1.583   1.670  -1.644
  128    HA   CYS  19           HA       CYS  19   0.048   4.116  -1.100
  129    HB2  CYS  19           1HB      CYS  19   1.168   3.332  -3.785
  130    HB3  CYS  19           2HB      CYS  19   0.741   4.939  -3.201
  131    H    CYS  20           H        CYS  20  -1.938   3.158  -0.689
  132    HA   CYS  20           HA       CYS  20  -2.970   1.238  -2.635
  133    HB2  CYS  20           1HB      CYS  20  -4.323   2.012  -0.063
  134    HB3  CYS  20           2HB      CYS  20  -4.462   0.509  -0.972
  135    H    GLN  21           H        GLN  21  -4.599   1.614  -3.968
  136    HA   GLN  21           HA       GLN  21  -5.778   4.215  -4.192
  137    HB2  GLN  21           1HB      GLN  21  -6.356   1.564  -5.525
  138    HB3  GLN  21           2HB      GLN  21  -7.265   3.026  -5.878
  139    HG2  GLN  21           1HG      GLN  21  -4.333   3.235  -6.075
  140    HG3  GLN  21           2HG      GLN  21  -5.136   2.226  -7.278
  141   HE21  GLN  21          1HE2      GLN  21  -6.479   3.164  -8.788
  142   HE22  GLN  21          2HE2      GLN  21  -6.569   4.885  -9.018
  143    H    SER  22           H        SER  22  -7.209   4.892  -2.743
  144    HA   SER  22           HA       SER  22  -8.900   2.940  -1.371
  145    HB2  SER  22           1HB      SER  22  -8.917   5.865  -0.736
  146    HB3  SER  22           2HB      SER  22  -9.094   4.480   0.346
  147    HG   SER  22           HG       SER  22  -6.698   4.320  -0.779
  148    H    MET  23           H        MET  23 -10.406   2.437  -2.908
  149    HA   MET  23           HA       MET  23 -11.838   4.510  -4.318
  150    HB2  MET  23           1HB      MET  23 -13.152   2.569  -5.236
  151    HB3  MET  23           2HB      MET  23 -11.425   2.521  -5.559
  152    HG2  MET  23           1HG      MET  23 -12.425   1.114  -3.152
  153    HG3  MET  23           2HG      MET  23 -12.768   0.407  -4.729
  154    HE1  MET  23           3HE      MET  23  -9.970   1.443  -6.296
  155    HE2  MET  23           1HE      MET  23  -9.182  -0.131  -6.187
  156    HE3  MET  23           2HE      MET  23 -10.911  -0.032  -6.526
  157    H    SER  24           H        SER  24 -14.103   4.828  -4.215
  158    HA   SER  24           HA       SER  24 -15.144   4.629  -1.514
  159    HB2  SER  24           1HB      SER  24 -16.473   5.891  -3.920
  160    HB3  SER  24           2HB      SER  24 -16.801   6.209  -2.216
  161    HG   SER  24           HG       SER  24 -15.123   7.492  -2.111
  162    H    GLY  25           H        GLY  25 -16.957   3.510  -0.903
  163    HA2  GLY  25           1HA      GLY  25 -18.752   2.047  -1.094
  164    HA3  GLY  25           2HA      GLY  25 -18.531   2.040  -2.841
  165    H    SER  26           H        SER  26 -16.130   1.105  -3.309
  166    HA   SER  26           HA       SER  26 -16.273  -1.638  -2.431
  167    HB2  SER  26           1HB      SER  26 -13.950  -1.143  -4.012
  168    HB3  SER  26           2HB      SER  26 -15.437  -1.966  -4.485
  169    HG   SER  26           HG       SER  26 -15.553  -0.317  -5.819
  170    H    ALA  27           H        ALA  27 -14.968  -2.620  -0.989
  171    HA   ALA  27           HA       ALA  27 -12.837  -0.982   0.226
  172    HB1  ALA  27           1HB      ALA  27 -13.550  -3.070   1.987
  173    HB2  ALA  27           2HB      ALA  27 -13.830  -1.339   2.180
  174    HB3  ALA  27           3HB      ALA  27 -15.050  -2.350   1.405
  175    H    SER  28           H        SER  28 -11.977  -2.173  -1.917
  176    HA   SER  28           HA       SER  28 -10.963  -4.828  -1.287
  177    HB2  SER  28           1HB      SER  28  -9.993  -3.847  -3.790
  178    HB3  SER  28           2HB      SER  28 -11.170  -5.128  -3.496
  179    HG   SER  28           HG       SER  28 -12.459  -3.761  -4.466
  180    H    LEU  29           H        LEU  29  -9.931  -1.546  -1.310
  181    HA   LEU  29           HA       LEU  29  -7.928  -0.503  -1.045
  182    HB2  LEU  29           1HB      LEU  29  -7.885  -2.857   0.699
  183    HB3  LEU  29           2HB      LEU  29  -6.289  -2.260   0.297
  184    HG   LEU  29           HG       LEU  29  -6.535  -0.907   2.062
  185   HD11  LEU  29          1HD1      LEU  29  -8.692   0.729   0.919
  186   HD12  LEU  29          2HD1      LEU  29  -7.082   1.192   1.473
  187   HD13  LEU  29          3HD1      LEU  29  -7.294   0.480  -0.128
  188   HD21  LEU  29          3HD2      LEU  29  -8.866  -2.299   2.306
  189   HD22  LEU  29          1HD2      LEU  29  -8.275  -1.099   3.455
  190   HD23  LEU  29          2HD2      LEU  29  -9.443  -0.635   2.217
  191    H    GLY  30           H        GLY  30  -7.734  -0.859  -3.425
  192    HA2  GLY  30           1HA      GLY  30  -5.970  -2.914  -4.383
  193    HA3  GLY  30           2HA      GLY  30  -6.578  -1.545  -5.309
  194    H    CYS  31           H        CYS  31  -3.965  -2.804  -3.470
  195    HA   CYS  31           HA       CYS  31  -2.726  -0.146  -3.310
  196    HB2  CYS  31           1HB      CYS  31  -3.253  -1.617  -1.249
  197    HB3  CYS  31           2HB      CYS  31  -1.829  -2.525  -1.738
  198    H    VAL  32           H        VAL  32  -0.622   0.201  -3.834
  199    HA   VAL  32           HA       VAL  32   0.834  -1.985  -5.173
  200    HB   VAL  32           HB       VAL  32   1.596   0.850  -5.695
  201   HG11  VAL  32          1HG1      VAL  32   2.598   0.003  -7.552
  202   HG12  VAL  32          2HG1      VAL  32   2.586  -1.457  -6.566
  203   HG13  VAL  32          3HG1      VAL  32   1.353  -1.220  -7.804
  204   HG21  VAL  32          3HG2      VAL  32  -1.053  -0.125  -6.229
  205   HG22  VAL  32          1HG2      VAL  32  -0.363   1.467  -6.547
  206   HG23  VAL  32          2HG2      VAL  32  -0.206   0.183  -7.745
  207    H    VAL  33           H        VAL  33   3.053  -2.171  -4.668
  208    HA   VAL  33           HA       VAL  33   3.692  -1.464  -1.984
  209    HB   VAL  33           HB       VAL  33   5.732  -2.468  -3.953
  210   HG11  VAL  33          1HG1      VAL  33   6.969  -2.727  -2.126
  211   HG12  VAL  33          2HG1      VAL  33   5.672  -2.023  -1.161
  212   HG13  VAL  33          3HG1      VAL  33   5.734  -3.766  -1.415
  213   HG21  VAL  33          3HG2      VAL  33   3.657  -3.793  -4.248
  214   HG22  VAL  33          1HG2      VAL  33   4.999  -4.738  -3.602
  215   HG23  VAL  33          2HG2      VAL  33   3.707  -4.195  -2.532
  216    H    GLY  34           H        GLY  34   4.665   0.309  -1.237
  217    HA2  GLY  34           1HA      GLY  34   5.731   2.231  -3.156
  218    HA3  GLY  34           2HA      GLY  34   5.374   2.538  -1.463
  219    H    VAL  35           H        VAL  35   7.819   2.451  -3.534
  220    HA   VAL  35           HA       VAL  35   9.721   1.219  -1.667
  221    HB   VAL  35           HB       VAL  35  10.820   2.192  -4.202
  222   HG11  VAL  35          1HG1      VAL  35  11.023  -0.647  -3.660
  223   HG12  VAL  35          2HG1      VAL  35  12.290   0.575  -3.792
  224   HG13  VAL  35          3HG1      VAL  35  11.459   0.329  -2.256
  225   HG21  VAL  35          3HG2      VAL  35   9.536  -0.274  -4.867
  226   HG22  VAL  35          1HG2      VAL  35   8.317   0.904  -4.379
  227   HG23  VAL  35          2HG2      VAL  35   9.439   1.285  -5.686
  228    H    ILE  36           H        ILE  36  11.914   2.419  -1.672
  229    HA   ILE  36           HA       ILE  36  11.508   4.945  -0.502
  230    HB   ILE  36           HB       ILE  36  14.115   3.841  -1.550
  231   HG12  ILE  36          2HG1      ILE  36  14.009   3.452   1.208
  232   HG13  ILE  36          1HG1      ILE  36  12.406   2.987   0.647
  233   HG21  ILE  36          1HG2      ILE  36  14.088   5.466   0.886
  234   HG22  ILE  36          2HG2      ILE  36  15.170   5.524  -0.505
  235   HG23  ILE  36          3HG2      ILE  36  13.603   6.333  -0.571
  236   HD11  ILE  36          3HD1      ILE  36  13.294   1.326  -0.781
  237   HD12  ILE  36          1HD1      ILE  36  14.939   1.921  -0.559
  238   HD13  ILE  36          2HD1      ILE  36  14.094   1.143   0.780
  239    H    GLY  37           H        GLY  37  10.816   6.651  -1.624
  240    HA2  GLY  37           1HA      GLY  37  11.349   8.526  -2.970
  241    HA3  GLY  37           2HA      GLY  37  12.415   7.508  -3.926
  242    H    SER  38           H        SER  38   9.025   6.980  -3.019
  243    HA   SER  38           HA       SER  38   8.393   6.869  -5.893
  244    HB2  SER  38           1HB      SER  38   6.816   5.574  -3.665
  245    HB3  SER  38           2HB      SER  38   6.667   5.288  -5.399
  246    HG   SER  38           HG       SER  38   8.766   4.539  -3.649
  247    H    GLN  39           H        GLN  39   6.919   8.201  -6.714
  248    HA   GLN  39           HA       GLN  39   5.623  10.102  -4.896
  249    HB2  GLN  39           1HB      GLN  39   6.777  10.269  -7.536
  250    HB3  GLN  39           2HB      GLN  39   5.103  10.802  -7.578
  251    HG2  GLN  39           1HG      GLN  39   6.671  11.882  -5.352
  252    HG3  GLN  39           2HG      GLN  39   7.214  12.373  -6.955
  253   HE21  GLN  39          1HE2      GLN  39   5.855  13.804  -4.712
  254   HE22  GLN  39          2HE2      GLN  39   4.483  14.565  -5.450
  255    H    CYS  40           H        CYS  40   4.165   8.314  -4.274
  256    HA   CYS  40           HA       CYS  40   2.395   7.150  -6.177
  257    HB2  CYS  40           1HB      CYS  40   2.038   7.295  -3.180
  258    HB3  CYS  40           2HB      CYS  40   1.317   6.125  -4.280
  259    H    GLY  41           H        GLY  41   0.709   8.080  -7.101
  260    HA2  GLY  41           1HA      GLY  41  -0.398  10.537  -6.018
  261    HA3  GLY  41           2HA      GLY  41  -0.811   9.788  -7.555
  262    H    ALA  42           H        ALA  42  -0.923   8.706  -4.181
  263    HA   ALA  42           HA       ALA  42  -3.808   8.526  -4.245
  264    HB1  ALA  42           1HB      ALA  42  -3.211   6.419  -5.302
  265    HB2  ALA  42           2HB      ALA  42  -2.120   6.039  -3.969
  266    HB3  ALA  42           3HB      ALA  42  -3.858   6.125  -3.686
  267    H    SER  43           H        SER  43  -4.030   6.780  -2.017
  268    HA   SER  43           HA       SER  43  -3.133   8.578   0.066
  269    HB2  SER  43           1HB      SER  43  -4.536   6.107   0.847
  270    HB3  SER  43           2HB      SER  43  -4.880   7.784   1.273
  271    HG   SER  43           HG       SER  43  -6.280   6.373  -0.326
  272    H    VAL  44           H        VAL  44  -1.399   8.266   1.287
  273    HA   VAL  44           HA       VAL  44   0.221   5.905   0.958
  274    HB   VAL  44           HB       VAL  44   0.619   8.265   2.813
  275   HG11  VAL  44          1HG1      VAL  44   2.919   6.670   1.899
  276   HG12  VAL  44          2HG1      VAL  44   2.589   7.390   3.475
  277   HG13  VAL  44          3HG1      VAL  44   1.830   5.861   3.026
  278   HG21  VAL  44          3HG2      VAL  44   1.553   9.420   1.135
  279   HG22  VAL  44          1HG2      VAL  44   2.365   7.997   0.482
  280   HG23  VAL  44          2HG2      VAL  44   0.677   8.312   0.080
  281    H    LYS  45           H        LYS  45  -0.021   4.125   2.124
  282    HA   LYS  45           HA       LYS  45  -1.445   4.341   4.691
  283    HB2  LYS  45           1HB      LYS  45  -2.324   3.068   2.403
  284    HB3  LYS  45           2HB      LYS  45  -1.643   1.755   3.351
  285    HG2  LYS  45           1HG      LYS  45  -3.423   1.715   4.647
  286    HG3  LYS  45           2HG      LYS  45  -3.200   3.418   5.051
  287    HD2  LYS  45           1HD      LYS  45  -4.319   3.894   2.792
  288    HD3  LYS  45           2HD      LYS  45  -4.840   2.208   2.852
  289    HE2  LYS  45           2HE      LYS  45  -6.454   3.956   3.772
  290    HE3  LYS  45           1HE      LYS  45  -6.120   2.552   4.783
  291    HZ1  LYS  45           3HZ      LYS  45  -4.222   4.325   5.553
  292    HZ2  LYS  45           1HZ      LYS  45  -5.683   4.044   6.365
  293    HZ3  LYS  45           2HZ      LYS  45  -5.552   5.329   5.261
  294    H    CYS  46           H        CYS  46  -0.889   2.910   6.323
  295    HA   CYS  46           HA       CYS  46   1.743   1.640   6.022
  296    HB2  CYS  46           1HB      CYS  46   0.450   3.141   8.196
  297    HB3  CYS  46           2HB      CYS  46   1.240   1.655   8.717
  298    H    CYS  47           H        CYS  47   1.295  -0.386   5.343
  299    HA   CYS  47           HA       CYS  47  -0.544  -1.972   6.997
  300    HB2  CYS  47           1HB      CYS  47  -0.474  -2.077   3.976
  301    HB3  CYS  47           2HB      CYS  47  -1.529  -3.005   5.038
  302    H    LYS  48           H        LYS  48  -0.246  -4.291   6.780
  303    HA   LYS  48           HA       LYS  48   2.439  -5.038   5.819
  304    HB2  LYS  48           1HB      LYS  48   1.631  -5.328   8.345
  305    HB3  LYS  48           2HB      LYS  48   0.907  -6.791   7.692
  306    HG2  LYS  48           1HG      LYS  48   3.796  -6.175   7.213
  307    HG3  LYS  48           2HG      LYS  48   3.264  -6.907   8.727
  308    HD2  LYS  48           1HD      LYS  48   2.250  -8.142   6.239
  309    HD3  LYS  48           2HD      LYS  48   3.974  -8.330   6.561
  310    HE2  LYS  48           2HE      LYS  48   3.634  -9.702   8.316
  311    HE3  LYS  48           1HE      LYS  48   2.196  -8.830   8.851
  312    HZ1  LYS  48           3HZ      LYS  48   1.056  -9.887   6.871
  313    HZ2  LYS  48           1HZ      LYS  48   1.450 -10.927   8.152
  314    HZ3  LYS  48           2HZ      LYS  48   2.400 -10.908   6.745
  315    H    ASP  49           H        ASP  49  -0.889  -6.141   6.216
  316    HA   ASP  49           HA       ASP  49  -2.139  -7.743   5.229
  317    HB2  ASP  49           1HB      ASP  49  -1.792  -5.950   3.392
  318    HB3  ASP  49           2HB      ASP  49  -0.729  -7.141   2.642
  319    H    ASP  50           H        ASP  50  -1.025  -9.095   2.653
  320    HA   ASP  50           HA       ASP  50   0.977 -10.820   3.931
  321    HB2  ASP  50           1HB      ASP  50  -1.233 -11.925   4.123
  322    HB3  ASP  50           2HB      ASP  50  -1.408 -11.843   2.373
  323    H    VAL  51           H        VAL  51   2.675 -10.248   2.727
  324    HA   VAL  51           HA       VAL  51   2.532  -9.645  -0.049
  325    HB   VAL  51           HB       VAL  51   5.155 -10.449   1.053
  326   HG11  VAL  51          1HG1      VAL  51   4.048  -8.211  -0.605
  327   HG12  VAL  51          2HG1      VAL  51   5.676  -8.136   0.064
  328   HG13  VAL  51          3HG1      VAL  51   5.238  -9.435  -1.044
  329   HG21  VAL  51          3HG2      VAL  51   4.046  -7.832   1.994
  330   HG22  VAL  51          1HG2      VAL  51   3.781  -9.300   2.934
  331   HG23  VAL  51          2HG2      VAL  51   5.424  -8.751   2.606
  332    H    THR  52           H        THR  52   1.742 -11.301  -1.225
  333    HA   THR  52           HA       THR  52   2.698 -13.994  -0.945
  334    HB   THR  52           HB       THR  52   1.289 -13.316  -3.430
  335    HG1  THR  52           1HG      THR  52   0.208 -12.656  -0.876
  336   HG21  THR  52          3HG2      THR  52  -0.207 -15.032  -1.762
  337   HG22  THR  52          1HG2      THR  52   1.491 -15.454  -1.530
  338   HG23  THR  52          2HG2      THR  52   0.791 -15.473  -3.148
  339    H    ASN  53           H        ASN  53   2.641 -11.880  -3.815
  340    HA   ASN  53           HA       ASN  53   5.236 -12.998  -4.592
  341    HB2  ASN  53           1HB      ASN  53   3.158 -12.873  -6.179
  342    HB3  ASN  53           2HB      ASN  53   3.601 -11.176  -6.337
  343   HD21  ASN  53          1HD2      ASN  53   3.607 -13.342  -8.322
  344   HD22  ASN  53          2HD2      ASN  53   5.227 -13.405  -8.939
  345    H    THR  54           H        THR  54   7.032 -11.727  -4.796
  346    HA   THR  54           HA       THR  54   6.997  -9.210  -3.414
  347    HB   THR  54           HB       THR  54   9.472  -9.646  -4.784
  348    HG1  THR  54           1HG      THR  54   8.523 -11.933  -3.349
  349   HG21  THR  54          3HG2      THR  54   9.316 -10.433  -1.967
  350   HG22  THR  54          1HG2      THR  54   8.612  -8.852  -2.304
  351   HG23  THR  54          2HG2      THR  54  10.290  -9.181  -2.738
  352    H    GLY  55           H        GLY  55   6.443 -10.194  -6.577
  353    HA2  GLY  55           1HA      GLY  55   6.874  -7.438  -7.549
  354    HA3  GLY  55           2HA      GLY  55   6.948  -8.860  -8.586
  355    H    ASN  56           H        ASN  56   4.689  -7.445  -6.220
  356    HA   ASN  56           HA       ASN  56   2.489  -8.213  -8.009
  357    HB2  ASN  56           1HB      ASN  56   2.801  -8.717  -5.327
  358    HB3  ASN  56           2HB      ASN  56   1.781  -7.282  -5.315
  359   HD21  ASN  56          1HD2      ASN  56   0.238  -8.779  -4.364
  360   HD22  ASN  56          2HD2      ASN  56  -0.748  -9.748  -5.406
  361    H    SER  57           H        SER  57   1.842  -6.626  -9.275
  362    HA   SER  57           HA       SER  57   2.357  -3.873  -8.636
  363    HB2  SER  57           1HB      SER  57   0.625  -4.357 -10.931
  364    HB3  SER  57           2HB      SER  57   2.213  -3.591 -10.864
  365    HG   SER  57           HG       SER  57   3.158  -5.663 -10.858
  366    H    PHE  58           H        PHE  58  -0.155  -5.999  -7.939
  367    HA   PHE  58           HA       PHE  58  -1.742  -3.802  -6.928
  368    HB2  PHE  58           1HB      PHE  58  -2.441  -4.738  -9.401
  369    HB3  PHE  58           2HB      PHE  58  -3.435  -5.744  -8.351
  370    HD1  PHE  58           2HD      PHE  58  -2.408  -2.157  -8.520
  371    HD2  PHE  58           1HD      PHE  58  -5.561  -4.965  -7.993
  372    HE1  PHE  58           2HE      PHE  58  -4.005  -0.308  -8.274
  373    HE2  PHE  58           1HE      PHE  58  -7.166  -3.119  -7.743
  374    HZ   PHE  58           HZ       PHE  58  -6.391  -0.784  -7.882
  375    H    LEU  59           H        LEU  59  -1.799  -4.385  -4.876
  376    HA   LEU  59           HA       LEU  59  -2.404  -7.188  -4.197
  377    HB2  LEU  59           1HB      LEU  59  -1.032  -4.963  -2.713
  378    HB3  LEU  59           2HB      LEU  59  -1.711  -6.329  -1.850
  379    HG   LEU  59           HG       LEU  59  -0.083  -7.332  -3.965
  380   HD11  LEU  59          1HD1      LEU  59   1.454  -5.715  -4.159
  381   HD12  LEU  59          2HD1      LEU  59   0.928  -4.906  -2.683
  382   HD13  LEU  59          3HD1      LEU  59   2.026  -6.284  -2.590
  383   HD21  LEU  59          3HD2      LEU  59   1.048  -8.451  -2.167
  384   HD22  LEU  59          1HD2      LEU  59   0.404  -7.304  -0.992
  385   HD23  LEU  59          2HD2      LEU  59  -0.680  -8.425  -1.816
  386    H    ILE  60           H        ILE  60  -4.421  -7.616  -3.563
  387    HA   ILE  60           HA       ILE  60  -6.198  -5.511  -2.674
  388    HB   ILE  60           HB       ILE  60  -6.559  -8.509  -2.868
  389   HG12  ILE  60          2HG1      ILE  60  -6.528  -7.471  -5.033
  390   HG13  ILE  60          1HG1      ILE  60  -8.203  -7.847  -4.649
  391   HG21  ILE  60          1HG2      ILE  60  -8.995  -7.998  -2.457
  392   HG22  ILE  60          2HG2      ILE  60  -7.934  -7.858  -1.056
  393   HG23  ILE  60          3HG2      ILE  60  -8.479  -6.406  -1.896
  394   HD11  ILE  60          3HD1      ILE  60  -8.665  -5.556  -4.153
  395   HD12  ILE  60          1HD1      ILE  60  -6.959  -5.133  -4.296
  396   HD13  ILE  60          2HD1      ILE  60  -7.864  -5.641  -5.721
  397    H    ILE  61           H        ILE  61  -6.008  -4.734  -0.682
  398    HA   ILE  61           HA       ILE  61  -4.671  -6.399   1.324
  399    HB   ILE  61           HB       ILE  61  -4.987  -3.419   1.049
  400   HG12  ILE  61          2HG1      ILE  61  -2.567  -5.223   1.244
  401   HG13  ILE  61          1HG1      ILE  61  -3.190  -4.503  -0.237
  402   HG21  ILE  61          1HG2      ILE  61  -4.400  -3.001   3.191
  403   HG22  ILE  61          2HG2      ILE  61  -5.157  -4.569   3.476
  404   HG23  ILE  61          3HG2      ILE  61  -3.404  -4.451   3.318
  405   HD11  ILE  61          3HD1      ILE  61  -1.227  -3.340   0.713
  406   HD12  ILE  61          1HD1      ILE  61  -2.649  -2.311   0.527
  407   HD13  ILE  61          2HD1      ILE  61  -2.205  -2.926   2.122
  408    H    ASN  62           H        ASN  62  -5.550  -6.943   3.204
  409    HA   ASN  62           HA       ASN  62  -8.353  -6.416   3.683
  410    HB2  ASN  62           1HB      ASN  62  -7.233  -8.591   4.270
  411    HB3  ASN  62           2HB      ASN  62  -6.333  -7.736   5.516
  412   HD21  ASN  62          1HD2      ASN  62  -7.553  -9.644   6.590
  413   HD22  ASN  62          2HD2      ASN  62  -9.075  -9.228   7.317
  414    H    ALA  63           H        ALA  63  -9.150  -4.795   4.863
  415    HA   ALA  63           HA       ALA  63  -7.578  -2.602   5.575
  416    HB1  ALA  63           1HB      ALA  63  -9.676  -1.833   6.765
  417    HB2  ALA  63           2HB      ALA  63  -9.831  -2.206   5.050
  418    HB3  ALA  63           3HB      ALA  63 -10.399  -3.358   6.257
  419    H    ALA  64           H        ALA  64  -8.362  -5.441   7.377
  420    HA   ALA  64           HA       ALA  64  -7.860  -4.287   9.967
  421    HB1  ALA  64           1HB      ALA  64  -7.671  -7.193   9.773
  422    HB2  ALA  64           2HB      ALA  64  -8.715  -6.188  10.776
  423    HB3  ALA  64           3HB      ALA  64  -9.163  -6.534   9.104
  424    H    ASN  65           H        ASN  65  -5.901  -5.364   7.431
  425    HA   ASN  65           HA       ASN  65  -3.704  -6.142   9.216
  426    HB2  ASN  65           1HB      ASN  65  -4.564  -7.201   6.810
  427    HB3  ASN  65           2HB      ASN  65  -3.154  -6.249   6.347
  428   HD21  ASN  65          1HD2      ASN  65  -3.462  -9.120   6.307
  429   HD22  ASN  65          2HD2      ASN  65  -2.249  -9.761   7.363
  430    H    CYS  66           H        CYS  66  -4.819  -3.389   8.503
  431    HA   CYS  66           HA       CYS  66  -2.234  -2.130   7.864
  432    HB2  CYS  66           1HB      CYS  66  -5.057  -1.090   7.551
  433    HB3  CYS  66           2HB      CYS  66  -3.615  -0.109   7.311
  434    H    VAL  67           H        VAL  67  -1.749  -0.136   9.075
  435    HA   VAL  67           HA       VAL  67  -2.475  -0.351  11.859
  436    HB   VAL  67           HB       VAL  67  -0.936   1.881  10.517
  437   HG11  VAL  67          1HG1      VAL  67  -1.484   1.118  13.335
  438   HG12  VAL  67          2HG1      VAL  67   0.104   1.781  12.947
  439   HG13  VAL  67          3HG1      VAL  67  -1.348   2.715  12.597
  440   HG21  VAL  67          3HG2      VAL  67   0.977   0.411  11.700
  441   HG22  VAL  67          1HG2      VAL  67  -0.143  -0.869  11.230
  442   HG23  VAL  67          2HG2      VAL  67   0.511   0.224  10.010
  443    H    ALA  68           H        ALA  68  -3.000   1.962   9.242
  444    HA   ALA  68           HA       ALA  68  -5.541   2.740  10.365
  445    HB1  ALA  68           1HB      ALA  68  -4.798   5.223  10.005
  446    HB2  ALA  68           2HB      ALA  68  -4.423   4.401  11.522
  447    HB3  ALA  68           3HB      ALA  68  -3.180   4.575  10.280
  Start of MODEL   15
    1    H1   SER   1           1H       SER   1   0.826  18.413  -7.998
    2    H2   SER   1           2H       SER   1   2.010  17.226  -8.254
    3    H3   SER   1           3H       SER   1   2.468  18.797  -7.821
    4    HA   SER   1           HA       SER   1   2.610  17.945  -5.774
    5    HB2  SER   1           1HB      SER   1  -0.159  17.745  -5.149
    6    HB3  SER   1           2HB      SER   1   0.935  19.091  -4.819
    7    HG   SER   1           HG       SER   1   0.085  20.172  -6.413
    8    H    ALA   2           H        ALA   2   3.012  16.025  -4.858
    9    HA   ALA   2           HA       ALA   2   1.159  13.833  -5.021
   10    HB1  ALA   2           1HB      ALA   2   3.777  13.649  -6.510
   11    HB2  ALA   2           2HB      ALA   2   2.737  12.275  -6.136
   12    HB3  ALA   2           3HB      ALA   2   2.156  13.556  -7.200
   13    H    THR   3           H        THR   3   1.895  11.971  -3.760
   14    HA   THR   3           HA       THR   3   3.470  12.757  -1.491
   15    HB   THR   3           HB       THR   3   3.077  10.080  -1.161
   16    HG1  THR   3           1HG      THR   3   0.711  10.007  -1.918
   17   HG21  THR   3          3HG2      THR   3   0.667  11.289  -0.348
   18   HG22  THR   3          1HG2      THR   3   1.911  12.534  -0.228
   19   HG23  THR   3          2HG2      THR   3   2.108  11.005   0.628
   20    H    THR   4           H        THR   4   5.594  12.605  -1.391
   21    HA   THR   4           HA       THR   4   7.022  10.915  -3.306
   22    HB   THR   4           HB       THR   4   8.528  12.629  -1.414
   23    HG1  THR   4           1HG      THR   4   6.587  13.596  -3.214
   24   HG21  THR   4          3HG2      THR   4  10.058  12.165  -2.970
   25   HG22  THR   4          1HG2      THR   4   9.156  13.187  -4.088
   26   HG23  THR   4          2HG2      THR   4   8.840  11.454  -4.027
   27    H    ILE   5           H        ILE   5   6.890   8.881  -2.480
   28    HA   ILE   5           HA       ILE   5   7.177   8.394   0.344
   29    HB   ILE   5           HB       ILE   5   5.680   6.872  -0.456
   30   HG12  ILE   5          2HG1      ILE   5   7.716   4.951  -1.275
   31   HG13  ILE   5          1HG1      ILE   5   8.131   5.780   0.219
   32   HG21  ILE   5          1HG2      ILE   5   6.975   7.370  -2.980
   33   HG22  ILE   5          2HG2      ILE   5   6.620   5.654  -2.783
   34   HG23  ILE   5          3HG2      ILE   5   5.324   6.843  -2.648
   35   HD11  ILE   5          3HD1      ILE   5   6.968   4.019   1.051
   36   HD12  ILE   5          1HD1      ILE   5   5.647   5.169   0.837
   37   HD13  ILE   5          2HD1      ILE   5   5.916   3.903  -0.361
   38    H    GLY   6           H        GLY   6   8.889   7.661   1.411
   39    HA2  GLY   6           1HA      GLY   6  11.304   6.946  -0.125
   40    HA3  GLY   6           2HA      GLY   6  11.382   8.059   1.236
   41    HA   PRO   7           HA       PRO   7  12.045   3.809   2.888
   42    HB2  PRO   7           1HB      PRO   7  14.352   4.230   4.164
   43    HB3  PRO   7           2HB      PRO   7  14.300   4.004   2.412
   44    HG2  PRO   7           1HG      PRO   7  14.563   6.529   3.991
   45    HG3  PRO   7           2HG      PRO   7  15.384   6.052   2.494
   46    HD2  PRO   7           1HD      PRO   7  13.174   7.715   2.626
   47    HD3  PRO   7           2HD      PRO   7  13.671   6.801   1.189
   48    H    ASN   8           H        ASN   8  11.076   6.660   4.147
   49    HA   ASN   8           HA       ASN   8  10.769   5.530   6.824
   50    HB2  ASN   8           1HB      ASN   8  12.847   7.057   6.642
   51    HB3  ASN   8           2HB      ASN   8  11.691   8.379   6.541
   52   HD21  ASN   8          1HD2      ASN   8  12.223   5.465   8.525
   53   HD22  ASN   8          2HD2      ASN   8  11.919   6.248  10.042
   54    H    THR   9           H        THR   9   8.942   6.078   4.551
   55    HA   THR   9           HA       THR   9   7.286   8.260   5.430
   56    HB   THR   9           HB       THR   9   6.405   6.052   3.579
   57    HG1  THR   9           1HG      THR   9   7.916   8.374   2.856
   58   HG21  THR   9          3HG2      THR   9   5.370   8.171   2.475
   59   HG22  THR   9          1HG2      THR   9   5.659   8.919   4.046
   60   HG23  THR   9          2HG2      THR   9   4.618   7.501   3.924
   61    H    CYS  10           H        CYS  10   7.586   4.903   6.163
   62    HA   CYS  10           HA       CYS  10   5.208   5.106   7.886
   63    HB2  CYS  10           1HB      CYS  10   6.046   2.963   6.030
   64    HB3  CYS  10           2HB      CYS  10   5.516   2.417   7.616
   65    H    SER  11           H        SER  11   7.280   2.324   7.969
   66    HA   SER  11           HA       SER  11   8.797   1.521   9.431
   67    HB2  SER  11           1HB      SER  11   9.551   4.356  10.104
   68    HB3  SER  11           2HB      SER  11  10.581   2.924  10.032
   69    HG   SER  11           HG       SER  11  10.989   3.568   8.080
   70    H    ILE  12           H        ILE  12   6.089   2.225  10.423
   71    HA   ILE  12           HA       ILE  12   6.341   3.056  13.134
   72    HB   ILE  12           HB       ILE  12   4.141   1.437  11.836
   73   HG12  ILE  12          2HG1      ILE  12   4.404   4.416  12.310
   74   HG13  ILE  12          1HG1      ILE  12   4.449   3.604  10.749
   75   HG21  ILE  12          1HG2      ILE  12   4.553   2.396  14.566
   76   HG22  ILE  12          2HG2      ILE  12   2.995   2.847  13.876
   77   HG23  ILE  12          3HG2      ILE  12   3.466   1.149  13.954
   78   HD11  ILE  12          3HD1      ILE  12   2.158   4.332  12.442
   79   HD12  ILE  12          1HD1      ILE  12   2.292   4.221  10.686
   80   HD13  ILE  12          2HD1      ILE  12   2.061   2.761  11.647
   81    H    ASP  13           H        ASP  13   6.481   0.027  11.445
   82    HA   ASP  13           HA       ASP  13   8.074  -1.314  13.253
   83    HB2  ASP  13           1HB      ASP  13   5.921  -1.203  14.652
   84    HB3  ASP  13           2HB      ASP  13   5.239  -2.334  13.486
   85    H    ASP  14           H        ASP  14   6.018  -3.735  12.604
   86    HA   ASP  14           HA       ASP  14   7.218  -4.420  10.069
   87    HB2  ASP  14           1HB      ASP  14   6.397  -5.966  12.070
   88    HB3  ASP  14           2HB      ASP  14   4.880  -5.917  11.177
   89    H    TYR  15           H        TYR  15   5.374  -2.082  10.476
   90    HA   TYR  15           HA       TYR  15   3.190  -2.658   8.645
   91    HB2  TYR  15           1HB      TYR  15   3.977  -0.187  10.203
   92    HB3  TYR  15           2HB      TYR  15   2.638  -0.225   9.062
   93    HD1  TYR  15           2HD      TYR  15   0.690  -1.765   9.529
   94    HD2  TYR  15           1HD      TYR  15   3.719  -0.965  12.409
   95    HE1  TYR  15           2HE      TYR  15  -0.809  -2.542  11.316
   96    HE2  TYR  15           1HE      TYR  15   2.227  -1.740  14.201
   97    HH   TYR  15           HH       TYR  15  -0.366  -1.880  14.487
   98    H    LYS  16           H        LYS  16   3.927  -2.828   6.607
   99    HA   LYS  16           HA       LYS  16   6.093  -1.199   5.626
  100    HB2  LYS  16           1HB      LYS  16   4.623  -2.573   3.544
  101    HB3  LYS  16           2HB      LYS  16   6.290  -2.790   4.057
  102    HG2  LYS  16           1HG      LYS  16   4.687  -3.983   6.033
  103    HG3  LYS  16           2HG      LYS  16   4.036  -4.494   4.474
  104    HD2  LYS  16           1HD      LYS  16   6.004  -5.544   3.855
  105    HD3  LYS  16           2HD      LYS  16   6.987  -4.576   4.956
  106    HE2  LYS  16           2HE      LYS  16   5.267  -5.898   6.650
  107    HE3  LYS  16           1HE      LYS  16   5.605  -7.102   5.406
  108    HZ1  LYS  16           3HZ      LYS  16   7.609  -7.437   6.257
  109    HZ2  LYS  16           1HZ      LYS  16   7.200  -6.422   7.553
  110    HZ3  LYS  16           2HZ      LYS  16   7.992  -5.788   6.193
  111    HA   PRO  17           HA       PRO  17   3.559   2.039   4.005
  112    HB2  PRO  17           1HB      PRO  17   5.479   2.673   1.952
  113    HB3  PRO  17           2HB      PRO  17   5.208   3.493   3.490
  114    HG2  PRO  17           1HG      PRO  17   7.477   2.071   2.883
  115    HG3  PRO  17           2HG      PRO  17   6.895   2.357   4.531
  116    HD2  PRO  17           1HD      PRO  17   6.603  -0.077   2.812
  117    HD3  PRO  17           2HD      PRO  17   6.932   0.044   4.556
  118    H    TYR  18           H        TYR  18   1.798   1.668   2.838
  119    HA   TYR  18           HA       TYR  18   2.121   0.599   0.113
  120    HB2  TYR  18           1HB      TYR  18   0.143  -0.143   2.251
  121    HB3  TYR  18           2HB      TYR  18  -0.238  -0.379   0.550
  122    HD1  TYR  18           1HD      TYR  18   1.301  -1.855  -0.828
  123    HD2  TYR  18           2HD      TYR  18   1.453  -1.702   3.417
  124    HE1  TYR  18           1HE      TYR  18   2.492  -4.008  -0.802
  125    HE2  TYR  18           2HE      TYR  18   2.650  -3.850   3.459
  126    HH   TYR  18           HH       TYR  18   2.695  -5.982   1.515
  127    H    CYS  19           H        CYS  19   1.086   1.643  -1.463
  128    HA   CYS  19           HA       CYS  19  -0.306   4.109  -0.835
  129    HB2  CYS  19           1HB      CYS  19   1.302   3.209  -2.950
  130    HB3  CYS  19           2HB      CYS  19  -0.306   3.382  -3.639
  131    H    CYS  20           H        CYS  20  -2.297   3.561  -0.008
  132    HA   CYS  20           HA       CYS  20  -3.789   1.404  -1.201
  133    HB2  CYS  20           1HB      CYS  20  -3.838   2.834   1.306
  134    HB3  CYS  20           2HB      CYS  20  -5.459   2.697   0.628
  135    H    GLN  21           H        GLN  21  -4.732   1.758  -3.059
  136    HA   GLN  21           HA       GLN  21  -6.095   4.218  -3.681
  137    HB2  GLN  21           1HB      GLN  21  -5.642   1.600  -5.049
  138    HB3  GLN  21           2HB      GLN  21  -6.973   2.610  -5.593
  139    HG2  GLN  21           1HG      GLN  21  -5.134   4.471  -5.651
  140    HG3  GLN  21           2HG      GLN  21  -4.045   3.086  -5.749
  141   HE21  GLN  21          1HE2      GLN  21  -6.139   5.136  -7.437
  142   HE22  GLN  21          2HE2      GLN  21  -6.111   4.299  -8.958
  143    H    SER  22           H        SER  22  -7.941   4.674  -2.683
  144    HA   SER  22           HA       SER  22  -9.691   2.612  -1.698
  145    HB2  SER  22           1HB      SER  22 -10.374   5.545  -1.896
  146    HB3  SER  22           2HB      SER  22 -10.932   4.362  -0.709
  147    HG   SER  22           HG       SER  22  -8.658   5.897  -0.728
  148    H    MET  23           H        MET  23 -10.785   1.485  -3.159
  149    HA   MET  23           HA       MET  23 -11.491   2.642  -5.707
  150    HB2  MET  23           1HB      MET  23 -12.201  -0.125  -4.748
  151    HB3  MET  23           2HB      MET  23 -12.031   0.440  -6.404
  152    HG2  MET  23           1HG      MET  23  -9.564   0.916  -5.167
  153    HG3  MET  23           2HG      MET  23 -10.069  -0.697  -4.663
  154    HE1  MET  23           3HE      MET  23  -8.308   1.349  -6.885
  155    HE2  MET  23           1HE      MET  23  -8.057   0.463  -8.389
  156    HE3  MET  23           2HE      MET  23  -9.488   1.472  -8.190
  157    H    SER  24           H        SER  24 -13.496   2.995  -6.493
  158    HA   SER  24           HA       SER  24 -15.651   3.145  -4.512
  159    HB2  SER  24           1HB      SER  24 -16.077   4.310  -7.191
  160    HB3  SER  24           2HB      SER  24 -16.357   5.012  -5.597
  161    HG   SER  24           HG       SER  24 -13.879   4.783  -6.975
  162    H    GLY  25           H        GLY  25 -17.352   1.822  -4.616
  163    HA2  GLY  25           1HA      GLY  25 -18.914   0.374  -5.601
  164    HA3  GLY  25           2HA      GLY  25 -17.983   0.418  -7.094
  165    H    SER  26           H        SER  26 -15.609  -0.444  -6.633
  166    HA   SER  26           HA       SER  26 -15.864  -3.173  -5.796
  167    HB2  SER  26           1HB      SER  26 -13.129  -2.351  -6.101
  168    HB3  SER  26           2HB      SER  26 -14.090  -3.380  -7.163
  169    HG   SER  26           HG       SER  26 -13.202  -1.315  -8.050
  170    H    ALA  27           H        ALA  27 -15.974  -3.638  -3.676
  171    HA   ALA  27           HA       ALA  27 -14.867  -1.863  -1.691
  172    HB1  ALA  27           1HB      ALA  27 -17.017  -3.468  -1.679
  173    HB2  ALA  27           2HB      ALA  27 -15.854  -4.522  -0.873
  174    HB3  ALA  27           3HB      ALA  27 -16.205  -2.925  -0.212
  175    H    SER  28           H        SER  28 -12.665  -2.220  -2.699
  176    HA   SER  28           HA       SER  28 -11.262  -4.141  -1.027
  177    HB2  SER  28           1HB      SER  28 -11.259  -4.191  -4.031
  178    HB3  SER  28           2HB      SER  28  -9.815  -4.684  -3.146
  179    HG   SER  28           HG       SER  28 -12.106  -6.044  -3.565
  180    H    LEU  29           H        LEU  29  -9.055  -3.607  -0.695
  181    HA   LEU  29           HA       LEU  29  -8.511  -0.776  -1.165
  182    HB2  LEU  29           1HB      LEU  29  -7.294  -2.794   0.721
  183    HB3  LEU  29           2HB      LEU  29  -6.684  -1.162   0.531
  184    HG   LEU  29           HG       LEU  29  -9.522  -1.732   1.366
  185   HD11  LEU  29          1HD1      LEU  29  -8.925  -2.063   3.491
  186   HD12  LEU  29          2HD1      LEU  29  -7.332  -2.450   2.840
  187   HD13  LEU  29          3HD1      LEU  29  -7.674  -0.822   3.428
  188   HD21  LEU  29          3HD2      LEU  29  -8.819   0.520   0.410
  189   HD22  LEU  29          1HD2      LEU  29  -9.593   0.535   1.995
  190   HD23  LEU  29          2HD2      LEU  29  -7.843   0.710   1.869
  191    H    GLY  30           H        GLY  30  -7.384  -0.338  -2.924
  192    HA2  GLY  30           1HA      GLY  30  -5.582  -2.289  -4.088
  193    HA3  GLY  30           2HA      GLY  30  -5.981  -0.708  -4.745
  194    H    CYS  31           H        CYS  31  -4.247  -2.234  -2.061
  195    HA   CYS  31           HA       CYS  31  -2.740   0.197  -1.602
  196    HB2  CYS  31           1HB      CYS  31  -3.575  -1.989  -0.011
  197    HB3  CYS  31           2HB      CYS  31  -1.816  -2.025  -0.028
  198    H    VAL  32           H        VAL  32  -1.633   0.255  -3.579
  199    HA   VAL  32           HA       VAL  32   0.124  -1.794  -4.472
  200    HB   VAL  32           HB       VAL  32   0.674   1.074  -5.109
  201   HG11  VAL  32          1HG1      VAL  32   1.109   0.195  -7.313
  202   HG12  VAL  32          2HG1      VAL  32   1.965  -0.771  -6.111
  203   HG13  VAL  32          3HG1      VAL  32   0.478  -1.383  -6.835
  204   HG21  VAL  32          3HG2      VAL  32  -1.239   0.451  -6.953
  205   HG22  VAL  32          1HG2      VAL  32  -1.914  -0.241  -5.479
  206   HG23  VAL  32          2HG2      VAL  32  -1.493   1.471  -5.536
  207    H    VAL  33           H        VAL  33   2.235  -2.218  -3.924
  208    HA   VAL  33           HA       VAL  33   3.213  -1.259  -1.481
  209    HB   VAL  33           HB       VAL  33   3.910  -3.424  -2.338
  210   HG11  VAL  33          1HG1      VAL  33   5.829  -2.245  -4.266
  211   HG12  VAL  33          2HG1      VAL  33   5.042  -3.823  -4.271
  212   HG13  VAL  33          3HG1      VAL  33   4.141  -2.385  -4.756
  213   HG21  VAL  33          3HG2      VAL  33   5.479  -2.925  -0.799
  214   HG22  VAL  33          1HG2      VAL  33   6.536  -2.867  -2.210
  215   HG23  VAL  33          2HG2      VAL  33   5.872  -1.376  -1.544
  216    H    GLY  34           H        GLY  34   4.426   0.416  -0.910
  217    HA2  GLY  34           1HA      GLY  34   4.793   2.543  -2.783
  218    HA3  GLY  34           2HA      GLY  34   5.268   2.546  -1.090
  219    H    VAL  35           H        VAL  35   6.423   2.785  -4.124
  220    HA   VAL  35           HA       VAL  35   8.935   1.399  -3.648
  221    HB   VAL  35           HB       VAL  35   9.184   3.002  -5.953
  222   HG11  VAL  35          1HG1      VAL  35   8.858   0.660  -7.046
  223   HG12  VAL  35          2HG1      VAL  35  10.236   0.953  -5.985
  224   HG13  VAL  35          3HG1      VAL  35   8.822   0.095  -5.375
  225   HG21  VAL  35          3HG2      VAL  35   6.824   1.436  -6.617
  226   HG22  VAL  35          1HG2      VAL  35   6.478   2.742  -5.484
  227   HG23  VAL  35          2HG2      VAL  35   7.234   3.099  -7.037
  228    H    ILE  36           H        ILE  36  10.634   2.342  -2.768
  229    HA   ILE  36           HA       ILE  36  10.547   4.941  -1.706
  230    HB   ILE  36           HB       ILE  36  12.933   3.141  -2.156
  231   HG12  ILE  36          2HG1      ILE  36  12.063   3.438   0.579
  232   HG13  ILE  36          1HG1      ILE  36  10.726   2.885  -0.427
  233   HG21  ILE  36          1HG2      ILE  36  12.816   5.851  -1.304
  234   HG22  ILE  36          2HG2      ILE  36  13.288   4.849   0.070
  235   HG23  ILE  36          3HG2      ILE  36  14.220   4.789  -1.428
  236   HD11  ILE  36          3HD1      ILE  36  11.730   0.889  -0.894
  237   HD12  ILE  36          1HD1      ILE  36  13.359   1.534  -0.693
  238   HD13  ILE  36          2HD1      ILE  36  12.364   1.194   0.723
  239    H    GLY  37           H        GLY  37  10.886   6.840  -2.620
  240    HA2  GLY  37           1HA      GLY  37  12.044   8.438  -3.875
  241    HA3  GLY  37           2HA      GLY  37  12.901   7.142  -4.698
  242    H    SER  38           H        SER  38   9.405   7.493  -4.333
  243    HA   SER  38           HA       SER  38   9.196   8.152  -7.177
  244    HB2  SER  38           1HB      SER  38   7.278   6.133  -6.125
  245    HB3  SER  38           2HB      SER  38   7.932   6.323  -7.752
  246    HG   SER  38           HG       SER  38   9.161   5.157  -5.475
  247    H    GLN  39           H        GLN  39   7.098   8.963  -7.804
  248    HA   GLN  39           HA       GLN  39   5.816  10.440  -5.639
  249    HB2  GLN  39           1HB      GLN  39   4.890  10.719  -8.454
  250    HB3  GLN  39           2HB      GLN  39   5.082  11.946  -7.211
  251    HG2  GLN  39           1HG      GLN  39   7.404  10.635  -8.596
  252    HG3  GLN  39           2HG      GLN  39   6.634  12.110  -9.178
  253   HE21  GLN  39          1HE2      GLN  39   9.283  11.163  -7.744
  254   HE22  GLN  39          2HE2      GLN  39   9.565  12.469  -6.640
  255    H    CYS  40           H        CYS  40   4.591   8.941  -4.599
  256    HA   CYS  40           HA       CYS  40   3.109   6.886  -5.775
  257    HB2  CYS  40           1HB      CYS  40   3.692   7.725  -3.207
  258    HB3  CYS  40           2HB      CYS  40   1.945   7.920  -3.312
  259    H    GLY  41           H        GLY  41   1.777   9.833  -4.286
  260    HA2  GLY  41           1HA      GLY  41   0.222  11.287  -5.350
  261    HA3  GLY  41           2HA      GLY  41  -0.184   9.989  -6.467
  262    H    ALA  42           H        ALA  42  -0.661   7.914  -4.725
  263    HA   ALA  42           HA       ALA  42  -3.263   8.654  -3.711
  264    HB1  ALA  42           1HB      ALA  42  -3.640   6.310  -3.417
  265    HB2  ALA  42           2HB      ALA  42  -2.850   6.549  -4.978
  266    HB3  ALA  42           3HB      ALA  42  -1.920   5.961  -3.599
  267    H    SER  43           H        SER  43  -3.824   7.341  -1.561
  268    HA   SER  43           HA       SER  43  -2.361   8.682   0.496
  269    HB2  SER  43           1HB      SER  43  -4.344   6.570   1.172
  270    HB3  SER  43           2HB      SER  43  -4.145   8.188   1.846
  271    HG   SER  43           HG       SER  43  -5.111   9.046   0.005
  272    H    VAL  44           H        VAL  44  -0.325   7.889   0.721
  273    HA   VAL  44           HA       VAL  44   0.256   5.090   0.913
  274    HB   VAL  44           HB       VAL  44   2.069   7.215   2.016
  275   HG11  VAL  44          1HG1      VAL  44   3.186   5.119   0.332
  276   HG12  VAL  44          2HG1      VAL  44   3.627   5.617   1.965
  277   HG13  VAL  44          3HG1      VAL  44   2.297   4.485   1.719
  278   HG21  VAL  44          3HG2      VAL  44   2.985   7.588  -0.222
  279   HG22  VAL  44          1HG2      VAL  44   1.732   6.555  -0.911
  280   HG23  VAL  44          2HG2      VAL  44   1.293   8.075  -0.133
  281    H    LYS  45           H        LYS  45  -0.358   3.903   2.577
  282    HA   LYS  45           HA       LYS  45  -0.173   5.066   5.276
  283    HB2  LYS  45           1HB      LYS  45  -2.154   3.853   5.950
  284    HB3  LYS  45           2HB      LYS  45  -2.537   4.854   4.556
  285    HG2  LYS  45           1HG      LYS  45  -2.976   3.080   3.236
  286    HG3  LYS  45           2HG      LYS  45  -1.717   2.082   3.971
  287    HD2  LYS  45           1HD      LYS  45  -3.382   0.995   4.995
  288    HD3  LYS  45           2HD      LYS  45  -3.535   2.424   6.018
  289    HE2  LYS  45           2HE      LYS  45  -4.950   3.093   3.737
  290    HE3  LYS  45           1HE      LYS  45  -5.330   1.388   3.977
  291    HZ1  LYS  45           3HZ      LYS  45  -5.761   3.638   5.862
  292    HZ2  LYS  45           1HZ      LYS  45  -5.843   2.018   6.348
  293    HZ3  LYS  45           2HZ      LYS  45  -6.927   2.598   5.187
  294    H    CYS  46           H        CYS  46  -0.252   3.157   6.948
  295    HA   CYS  46           HA       CYS  46   1.835   1.309   6.057
  296    HB2  CYS  46           1HB      CYS  46   0.973   1.951   8.880
  297    HB3  CYS  46           2HB      CYS  46   2.412   1.063   8.389
  298    H    CYS  47           H        CYS  47   1.523  -0.826   5.959
  299    HA   CYS  47           HA       CYS  47  -0.903  -1.933   7.216
  300    HB2  CYS  47           1HB      CYS  47   0.189  -2.779   4.527
  301    HB3  CYS  47           2HB      CYS  47  -1.287  -3.348   5.299
  302    H    LYS  48           H        LYS  48  -0.646  -3.851   8.278
  303    HA   LYS  48           HA       LYS  48   2.057  -4.931   8.410
  304    HB2  LYS  48           1HB      LYS  48   0.097  -4.669  10.320
  305    HB3  LYS  48           2HB      LYS  48  -0.045  -6.367   9.880
  306    HG2  LYS  48           1HG      LYS  48   2.700  -5.421  10.322
  307    HG3  LYS  48           2HG      LYS  48   1.659  -5.397  11.744
  308    HD2  LYS  48           1HD      LYS  48   2.413  -7.535  11.916
  309    HD3  LYS  48           2HD      LYS  48   1.051  -7.832  10.835
  310    HE2  LYS  48           2HE      LYS  48   2.387  -8.270   9.054
  311    HE3  LYS  48           1HE      LYS  48   3.614  -7.110   9.554
  312    HZ1  LYS  48           3HZ      LYS  48   3.789  -9.826   9.763
  313    HZ2  LYS  48           1HZ      LYS  48   3.430  -9.333  11.348
  314    HZ3  LYS  48           2HZ      LYS  48   4.784  -8.697  10.546
  315    H    ASP  49           H        ASP  49   1.087  -5.192   5.944
  316    HA   ASP  49           HA       ASP  49  -0.020  -7.835   5.571
  317    HB2  ASP  49           1HB      ASP  49  -0.706  -6.391   3.859
  318    HB3  ASP  49           2HB      ASP  49   0.875  -5.619   3.742
  319    H    ASP  50           H        ASP  50   1.234  -9.609   5.643
  320    HA   ASP  50           HA       ASP  50   4.122  -9.259   5.553
  321    HB2  ASP  50           1HB      ASP  50   2.376 -11.031   6.922
  322    HB3  ASP  50           2HB      ASP  50   3.400 -12.002   5.863
  323    H    VAL  51           H        VAL  51   3.871  -8.637   3.301
  324    HA   VAL  51           HA       VAL  51   2.953 -10.198   1.247
  325    HB   VAL  51           HB       VAL  51   3.553  -7.966   0.764
  326   HG11  VAL  51          1HG1      VAL  51   6.451  -8.546   1.323
  327   HG12  VAL  51          2HG1      VAL  51   5.690  -6.986   1.006
  328   HG13  VAL  51          3HG1      VAL  51   5.353  -7.842   2.510
  329   HG21  VAL  51          3HG2      VAL  51   5.173 -10.024  -0.660
  330   HG22  VAL  51          1HG2      VAL  51   3.809  -9.062  -1.236
  331   HG23  VAL  51          2HG2      VAL  51   5.400  -8.322  -1.059
  332    H    THR  52           H        THR  52   3.343 -12.297   1.207
  333    HA   THR  52           HA       THR  52   6.142 -13.155   0.856
  334    HB   THR  52           HB       THR  52   4.434 -15.408   1.146
  335    HG1  THR  52           1HG      THR  52   3.918 -13.270   2.933
  336   HG21  THR  52          3HG2      THR  52   6.925 -14.681   1.918
  337   HG22  THR  52          1HG2      THR  52   6.073 -16.091   2.549
  338   HG23  THR  52          2HG2      THR  52   6.068 -14.577   3.455
  339    H    ASN  53           H        ASN  53   2.848 -13.277  -0.294
  340    HA   ASN  53           HA       ASN  53   3.774 -14.305  -2.888
  341    HB2  ASN  53           1HB      ASN  53   1.053 -14.217  -1.577
  342    HB3  ASN  53           2HB      ASN  53   1.238 -14.492  -3.306
  343   HD21  ASN  53          1HD2      ASN  53   0.058 -16.292  -1.500
  344   HD22  ASN  53          2HD2      ASN  53   1.032 -17.724  -1.461
  345    H    THR  54           H        THR  54   4.178 -12.766  -4.345
  346    HA   THR  54           HA       THR  54   3.376 -10.057  -3.841
  347    HB   THR  54           HB       THR  54   4.487 -10.327  -6.448
  348    HG1  THR  54           1HG      THR  54   6.415 -11.415  -4.814
  349   HG21  THR  54          3HG2      THR  54   6.032  -8.807  -5.662
  350   HG22  THR  54          1HG2      THR  54   6.112  -9.551  -4.065
  351   HG23  THR  54          2HG2      THR  54   4.718  -8.564  -4.511
  352    H    GLY  55           H        GLY  55   1.913  -8.833  -4.929
  353    HA2  GLY  55           1HA      GLY  55  -0.237 -10.113  -6.259
  354    HA3  GLY  55           2HA      GLY  55   0.024  -8.376  -6.154
  355    H    ASN  56           H        ASN  56  -0.987  -9.593  -8.449
  356    HA   ASN  56           HA       ASN  56   1.153 -10.103 -10.301
  357    HB2  ASN  56           1HB      ASN  56  -1.840  -9.975 -10.523
  358    HB3  ASN  56           2HB      ASN  56  -0.843 -10.001 -11.977
  359   HD21  ASN  56          1HD2      ASN  56  -0.623 -11.938 -12.801
  360   HD22  ASN  56          2HD2      ASN  56  -0.560 -13.427 -11.915
  361    H    SER  57           H        SER  57  -1.439  -7.638 -10.259
  362    HA   SER  57           HA       SER  57   0.288  -5.850 -11.778
  363    HB2  SER  57           1HB      SER  57  -2.014  -4.453 -11.214
  364    HB3  SER  57           2HB      SER  57  -1.753  -5.433 -12.660
  365    HG   SER  57           HG       SER  57  -3.681  -6.021 -11.583
  366    H    PHE  58           H        PHE  58  -1.409  -6.032  -8.695
  367    HA   PHE  58           HA       PHE  58   0.670  -4.603  -7.354
  368    HB2  PHE  58           1HB      PHE  58  -0.765  -2.809  -6.447
  369    HB3  PHE  58           2HB      PHE  58  -0.571  -2.682  -8.189
  370    HD1  PHE  58           2HD      PHE  58  -2.471  -3.569  -9.656
  371    HD2  PHE  58           1HD      PHE  58  -2.866  -2.839  -5.482
  372    HE1  PHE  58           2HE      PHE  58  -4.913  -3.455  -9.910
  373    HE2  PHE  58           1HE      PHE  58  -5.306  -2.721  -5.730
  374    HZ   PHE  58           HZ       PHE  58  -6.339  -3.030  -7.945
  375    H    LEU  59           H        LEU  59  -0.502  -4.087  -4.946
  376    HA   LEU  59           HA       LEU  59  -1.230  -6.813  -4.158
  377    HB2  LEU  59           1HB      LEU  59   0.389  -4.683  -2.965
  378    HB3  LEU  59           2HB      LEU  59  -0.691  -5.470  -1.830
  379    HG   LEU  59           HG       LEU  59   0.750  -7.387  -3.477
  380   HD11  LEU  59          1HD1      LEU  59   2.896  -6.970  -2.131
  381   HD12  LEU  59          2HD1      LEU  59   2.585  -5.955  -3.538
  382   HD13  LEU  59          3HD1      LEU  59   2.277  -5.331  -1.918
  383   HD21  LEU  59          3HD2      LEU  59   1.054  -7.186  -0.532
  384   HD22  LEU  59          1HD2      LEU  59  -0.561  -7.497  -1.169
  385   HD23  LEU  59          2HD2      LEU  59   0.764  -8.597  -1.548
  386    H    ILE  60           H        ILE  60  -3.144  -7.283  -3.345
  387    HA   ILE  60           HA       ILE  60  -4.841  -5.108  -2.308
  388    HB   ILE  60           HB       ILE  60  -5.892  -7.612  -3.638
  389   HG12  ILE  60          2HG1      ILE  60  -6.465  -5.324  -5.214
  390   HG13  ILE  60          1HG1      ILE  60  -4.736  -5.292  -4.879
  391   HG21  ILE  60          1HG2      ILE  60  -7.864  -5.810  -3.846
  392   HG22  ILE  60          2HG2      ILE  60  -7.679  -6.880  -2.456
  393   HG23  ILE  60          3HG2      ILE  60  -7.086  -5.220  -2.376
  394   HD11  ILE  60          3HD1      ILE  60  -5.380  -7.942  -5.577
  395   HD12  ILE  60          1HD1      ILE  60  -6.179  -6.889  -6.744
  396   HD13  ILE  60          2HD1      ILE  60  -4.437  -6.767  -6.496
  397    H    ILE  61           H        ILE  61  -4.571  -5.378  -0.164
  398    HA   ILE  61           HA       ILE  61  -4.593  -8.101   0.930
  399    HB   ILE  61           HB       ILE  61  -3.973  -5.896   2.775
  400   HG12  ILE  61          2HG1      ILE  61  -1.511  -6.223   1.562
  401   HG13  ILE  61          1HG1      ILE  61  -2.610  -6.101   0.191
  402   HG21  ILE  61          1HG2      ILE  61  -3.302  -8.688   2.317
  403   HG22  ILE  61          2HG2      ILE  61  -1.905  -7.713   2.776
  404   HG23  ILE  61          3HG2      ILE  61  -3.331  -7.757   3.815
  405   HD11  ILE  61          3HD1      ILE  61  -1.570  -3.955   1.036
  406   HD12  ILE  61          1HD1      ILE  61  -3.320  -3.957   0.814
  407   HD13  ILE  61          2HD1      ILE  61  -2.635  -4.111   2.434
  408    H    ASN  62           H        ASN  62  -5.235  -7.463   3.568
  409    HA   ASN  62           HA       ASN  62  -8.110  -6.999   3.284
  410    HB2  ASN  62           1HB      ASN  62  -6.853  -9.046   4.506
  411    HB3  ASN  62           2HB      ASN  62  -6.994  -7.939   5.867
  412   HD21  ASN  62          1HD2      ASN  62  -8.323 -10.019   6.405
  413   HD22  ASN  62          2HD2      ASN  62 -10.022  -9.892   6.070
  414    H    ALA  63           H        ALA  63  -9.218  -5.845   5.017
  415    HA   ALA  63           HA       ALA  63  -7.907  -3.344   5.559
  416    HB1  ALA  63           1HB      ALA  63 -10.127  -2.794   6.649
  417    HB2  ALA  63           2HB      ALA  63 -10.176  -3.184   4.930
  418    HB3  ALA  63           3HB      ALA  63 -10.673  -4.386   6.121
  419    H    ALA  64           H        ALA  64  -7.479  -6.141   7.005
  420    HA   ALA  64           HA       ALA  64  -7.548  -5.130   9.754
  421    HB1  ALA  64           1HB      ALA  64  -6.635  -7.886   9.055
  422    HB2  ALA  64           2HB      ALA  64  -7.464  -7.306  10.501
  423    HB3  ALA  64           3HB      ALA  64  -8.353  -7.492   8.990
  424    H    ASN  65           H        ASN  65  -5.394  -6.006   7.171
  425    HA   ASN  65           HA       ASN  65  -2.994  -5.893   8.742
  426    HB2  ASN  65           1HB      ASN  65  -3.267  -5.640   5.737
  427    HB3  ASN  65           2HB      ASN  65  -1.815  -6.067   6.633
  428   HD21  ASN  65          1HD2      ASN  65  -1.500  -8.132   7.256
  429   HD22  ASN  65          2HD2      ASN  65  -2.556  -9.436   6.857
  430    H    CYS  66           H        CYS  66  -4.556  -3.805   6.365
  431    HA   CYS  66           HA       CYS  66  -2.777  -1.600   6.855
  432    HB2  CYS  66           1HB      CYS  66  -5.377  -1.817   5.326
  433    HB3  CYS  66           2HB      CYS  66  -4.394  -0.359   5.387
  434    H    VAL  67           H        VAL  67  -3.030   0.063   8.251
  435    HA   VAL  67           HA       VAL  67  -5.450   0.029   9.914
  436    HB   VAL  67           HB       VAL  67  -3.818   1.830  11.156
  437   HG11  VAL  67          1HG1      VAL  67  -3.562   0.197  12.838
  438   HG12  VAL  67          2HG1      VAL  67  -5.093  -0.168  12.042
  439   HG13  VAL  67          3HG1      VAL  67  -3.659  -1.125  11.676
  440   HG21  VAL  67          3HG2      VAL  67  -1.988   1.297   9.547
  441   HG22  VAL  67          1HG2      VAL  67  -1.573   0.993  11.233
  442   HG23  VAL  67          2HG2      VAL  67  -1.985  -0.352  10.171
  443    H    ALA  68           H        ALA  68  -3.763   2.939  10.166
  444    HA   ALA  68           HA       ALA  68  -6.045   4.359   9.143
  445    HB1  ALA  68           1HB      ALA  68  -5.191   5.267  11.117
  446    HB2  ALA  68           2HB      ALA  68  -3.525   5.180  10.544
  447    HB3  ALA  68           3HB      ALA  68  -4.630   6.373   9.864
  Start of MODEL   16
    1    H1   SER   1           1H       SER   1  -3.120  14.908  -3.664
    2    H2   SER   1           2H       SER   1  -1.759  15.671  -4.333
    3    H3   SER   1           3H       SER   1  -1.560  14.351  -3.289
    4    HA   SER   1           HA       SER   1  -3.151  13.307  -5.167
    5    HB2  SER   1           1HB      SER   1  -1.159  14.520  -6.938
    6    HB3  SER   1           2HB      SER   1  -2.897  14.313  -7.174
    7    HG   SER   1           HG       SER   1  -3.042  16.368  -6.786
    8    H    ALA   2           H        ALA   2   0.216  14.115  -5.950
    9    HA   ALA   2           HA       ALA   2   0.930  11.315  -5.497
   10    HB1  ALA   2           1HB      ALA   2   3.020  13.131  -6.457
   11    HB2  ALA   2           2HB      ALA   2   2.490  11.572  -7.090
   12    HB3  ALA   2           3HB      ALA   2   1.600  13.039  -7.498
   13    H    THR   3           H        THR   3   2.084  10.658  -3.789
   14    HA   THR   3           HA       THR   3   2.527  12.552  -1.687
   15    HB   THR   3           HB       THR   3   3.570   9.829  -1.317
   16    HG1  THR   3           1HG      THR   3   1.663   8.808  -1.615
   17   HG21  THR   3          3HG2      THR   3   3.151  11.578   0.471
   18   HG22  THR   3          1HG2      THR   3   2.428   9.995   0.766
   19   HG23  THR   3          2HG2      THR   3   1.428  11.327   0.189
   20    H    THR   4           H        THR   4   4.617  10.674  -3.822
   21    HA   THR   4           HA       THR   4   6.876  10.551  -4.077
   22    HB   THR   4           HB       THR   4   7.046  13.313  -2.872
   23    HG1  THR   4           1HG      THR   4   5.979  14.093  -4.531
   24   HG21  THR   4          3HG2      THR   4   8.892  11.586  -4.151
   25   HG22  THR   4          1HG2      THR   4   9.143  13.250  -3.624
   26   HG23  THR   4          2HG2      THR   4   8.566  12.920  -5.258
   27    H    ILE   5           H        ILE   5   6.756   8.939  -2.330
   28    HA   ILE   5           HA       ILE   5   7.513   9.807   0.339
   29    HB   ILE   5           HB       ILE   5   7.287   7.419   0.942
   30   HG12  ILE   5          2HG1      ILE   5   6.031   6.659  -1.595
   31   HG13  ILE   5          1HG1      ILE   5   7.761   6.948  -1.718
   32   HG21  ILE   5          1HG2      ILE   5   4.795   7.833  -0.548
   33   HG22  ILE   5          2HG2      ILE   5   5.064   7.600   1.179
   34   HG23  ILE   5          3HG2      ILE   5   5.299   9.193   0.459
   35   HD11  ILE   5          3HD1      ILE   5   6.510   4.624  -0.888
   36   HD12  ILE   5          1HD1      ILE   5   8.230   5.016  -0.766
   37   HD13  ILE   5          2HD1      ILE   5   7.146   5.349   0.589
   38    H    GLY   6           H        GLY   6   9.255   8.622   1.499
   39    HA2  GLY   6           1HA      GLY   6  11.625   8.258  -0.156
   40    HA3  GLY   6           2HA      GLY   6  11.565   8.244   1.605
   41    HA   PRO   7           HA       PRO   7  11.706   3.889  -0.099
   42    HB2  PRO   7           1HB      PRO   7  14.008   3.037   0.993
   43    HB3  PRO   7           2HB      PRO   7  13.977   3.992  -0.494
   44    HG2  PRO   7           1HG      PRO   7  14.549   4.871   2.310
   45    HG3  PRO   7           2HG      PRO   7  15.376   5.316   0.807
   46    HD2  PRO   7           1HD      PRO   7  13.495   6.885   2.033
   47    HD3  PRO   7           2HD      PRO   7  13.831   6.924   0.290
   48    H    ASN   8           H        ASN   8  11.095   5.279   2.767
   49    HA   ASN   8           HA       ASN   8   9.950   2.938   3.883
   50    HB2  ASN   8           1HB      ASN   8  12.555   2.964   4.480
   51    HB3  ASN   8           2HB      ASN   8  11.992   4.046   5.751
   52   HD21  ASN   8          1HD2      ASN   8  12.749   2.384   7.192
   53   HD22  ASN   8          2HD2      ASN   8  11.728   1.033   7.541
   54    H    THR   9           H        THR   9   8.161   4.411   3.758
   55    HA   THR   9           HA       THR   9   8.173   6.816   5.329
   56    HB   THR   9           HB       THR   9   5.576   5.664   4.515
   57    HG1  THR   9           1HG      THR   9   7.597   6.397   2.638
   58   HG21  THR   9          3HG2      THR   9   6.948   8.309   4.544
   59   HG22  THR   9          1HG2      THR   9   5.349   7.861   5.142
   60   HG23  THR   9          2HG2      THR   9   5.620   8.064   3.411
   61    H    CYS  10           H        CYS  10   6.920   3.537   5.729
   62    HA   CYS  10           HA       CYS  10   6.186   4.240   8.492
   63    HB2  CYS  10           1HB      CYS  10   4.909   2.166   6.698
   64    HB3  CYS  10           2HB      CYS  10   4.498   2.435   8.387
   65    H    SER  11           H        SER  11   7.372   3.271   9.986
   66    HA   SER  11           HA       SER  11   8.483   0.612   9.451
   67    HB2  SER  11           1HB      SER  11  10.425   2.244  10.853
   68    HB3  SER  11           2HB      SER  11  10.625   1.288   9.386
   69    HG   SER  11           HG       SER  11   9.487   3.895   9.492
   70    H    ILE  12           H        ILE  12   6.299   1.277  11.042
   71    HA   ILE  12           HA       ILE  12   6.940   1.656  13.776
   72    HB   ILE  12           HB       ILE  12   4.507   0.275  12.625
   73   HG12  ILE  12          2HG1      ILE  12   3.977   2.947  13.457
   74   HG13  ILE  12          1HG1      ILE  12   5.368   2.981  12.378
   75   HG21  ILE  12          1HG2      ILE  12   3.909   1.742  14.959
   76   HG22  ILE  12          2HG2      ILE  12   3.873  -0.007  14.730
   77   HG23  ILE  12          3HG2      ILE  12   5.345   0.776  15.303
   78   HD11  ILE  12          3HD1      ILE  12   2.570   2.126  11.827
   79   HD12  ILE  12          1HD1      ILE  12   3.609   3.229  10.925
   80   HD13  ILE  12          2HD1      ILE  12   3.897   1.490  10.855
   81    H    ASP  13           H        ASP  13   6.119  -1.245  11.918
   82    HA   ASP  13           HA       ASP  13   7.818  -2.914  13.531
   83    HB2  ASP  13           1HB      ASP  13   5.607  -2.684  14.818
   84    HB3  ASP  13           2HB      ASP  13   4.867  -3.581  13.498
   85    H    ASP  14           H        ASP  14   5.170  -4.591  12.308
   86    HA   ASP  14           HA       ASP  14   6.663  -5.535  10.020
   87    HB2  ASP  14           1HB      ASP  14   4.683  -6.603  11.703
   88    HB3  ASP  14           2HB      ASP  14   3.915  -6.444  10.128
   89    H    TYR  15           H        TYR  15   4.507  -3.085  10.703
   90    HA   TYR  15           HA       TYR  15   3.091  -3.023   8.208
   91    HB2  TYR  15           1HB      TYR  15   3.217  -0.754  10.180
   92    HB3  TYR  15           2HB      TYR  15   1.902  -1.196   9.093
   93    HD1  TYR  15           2HD      TYR  15   0.738  -3.461   9.550
   94    HD2  TYR  15           1HD      TYR  15   3.168  -1.452  12.403
   95    HE1  TYR  15           2HE      TYR  15  -0.319  -4.757  11.348
   96    HE2  TYR  15           1HE      TYR  15   2.117  -2.743  14.214
   97    HH   TYR  15           HH       TYR  15  -0.717  -4.493  13.823
   98    H    LYS  16           H        LYS  16   3.968  -2.373   6.417
   99    HA   LYS  16           HA       LYS  16   6.215  -0.483   6.450
  100    HB2  LYS  16           1HB      LYS  16   5.244  -2.566   4.505
  101    HB3  LYS  16           2HB      LYS  16   6.338  -1.293   3.979
  102    HG2  LYS  16           1HG      LYS  16   6.838  -3.431   6.027
  103    HG3  LYS  16           2HG      LYS  16   7.666  -3.175   4.491
  104    HD2  LYS  16           1HD      LYS  16   8.301  -0.875   5.503
  105    HD3  LYS  16           2HD      LYS  16   7.887  -1.628   7.044
  106    HE2  LYS  16           2HE      LYS  16   9.767  -2.968   5.130
  107    HE3  LYS  16           1HE      LYS  16  10.341  -1.720   6.235
  108    HZ1  LYS  16           3HZ      LYS  16   8.848  -4.122   7.147
  109    HZ2  LYS  16           1HZ      LYS  16   9.728  -3.020   8.093
  110    HZ3  LYS  16           2HZ      LYS  16  10.538  -4.076   7.039
  111    HA   PRO  17           HA       PRO  17   3.777   2.598   4.347
  112    HB2  PRO  17           1HB      PRO  17   5.240   3.467   2.251
  113    HB3  PRO  17           2HB      PRO  17   5.695   3.807   3.925
  114    HG2  PRO  17           1HG      PRO  17   6.771   1.741   2.049
  115    HG3  PRO  17           2HG      PRO  17   7.640   2.770   3.201
  116    HD2  PRO  17           1HD      PRO  17   7.001   0.157   3.685
  117    HD3  PRO  17           2HD      PRO  17   7.206   1.370   4.963
  118    H    TYR  18           H        TYR  18   1.965   2.215   3.283
  119    HA   TYR  18           HA       TYR  18   2.067   0.657   0.784
  120    HB2  TYR  18           1HB      TYR  18   0.400   0.433   3.219
  121    HB3  TYR  18           2HB      TYR  18  -0.466   0.277   1.695
  122    HD1  TYR  18           1HD      TYR  18   2.914  -0.918   2.780
  123    HD2  TYR  18           2HD      TYR  18  -0.966  -1.946   1.375
  124    HE1  TYR  18           1HE      TYR  18   3.591  -3.280   2.654
  125    HE2  TYR  18           2HE      TYR  18  -0.300  -4.308   1.240
  126    HH   TYR  18           HH       TYR  18   1.807  -5.709   2.675
  127    H    CYS  19           H        CYS  19   1.752   2.076  -0.840
  128    HA   CYS  19           HA       CYS  19   0.012   4.367  -0.561
  129    HB2  CYS  19           1HB      CYS  19   1.329   3.224  -3.041
  130    HB3  CYS  19           2HB      CYS  19   0.531   4.788  -2.930
  131    H    CYS  20           H        CYS  20  -2.085   3.815  -0.294
  132    HA   CYS  20           HA       CYS  20  -3.103   1.475  -1.706
  133    HB2  CYS  20           1HB      CYS  20  -3.898   2.980   0.737
  134    HB3  CYS  20           2HB      CYS  20  -5.145   2.091  -0.130
  135    H    GLN  21           H        GLN  21  -3.971   1.819  -3.634
  136    HA   GLN  21           HA       GLN  21  -5.488   4.230  -4.183
  137    HB2  GLN  21           1HB      GLN  21  -5.430   1.848  -6.009
  138    HB3  GLN  21           2HB      GLN  21  -5.547   3.554  -6.416
  139    HG2  GLN  21           1HG      GLN  21  -3.051   2.623  -5.116
  140    HG3  GLN  21           2HG      GLN  21  -3.336   2.147  -6.789
  141   HE21  GLN  21          1HE2      GLN  21  -4.736   4.484  -7.576
  142   HE22  GLN  21          2HE2      GLN  21  -3.599   5.782  -7.627
  143    H    SER  22           H        SER  22  -7.423   4.313  -3.220
  144    HA   SER  22           HA       SER  22  -8.864   1.937  -2.520
  145    HB2  SER  22           1HB      SER  22 -10.423   4.359  -2.271
  146    HB3  SER  22           2HB      SER  22  -9.787   3.313  -1.000
  147    HG   SER  22           HG       SER  22  -8.770   5.678  -2.052
  148    H    MET  23           H        MET  23 -10.309   0.903  -3.721
  149    HA   MET  23           HA       MET  23 -11.085   1.967  -6.284
  150    HB2  MET  23           1HB      MET  23 -11.910  -0.590  -4.894
  151    HB3  MET  23           2HB      MET  23 -12.268  -0.180  -6.566
  152    HG2  MET  23           1HG      MET  23  -9.482  -0.429  -5.464
  153    HG3  MET  23           2HG      MET  23 -10.353  -1.748  -6.243
  154    HE1  MET  23           3HE      MET  23  -7.436   0.201  -7.057
  155    HE2  MET  23           1HE      MET  23  -7.814  -1.496  -7.353
  156    HE3  MET  23           2HE      MET  23  -7.497  -0.415  -8.710
  157    H    SER  24           H        SER  24 -12.407   3.659  -6.043
  158    HA   SER  24           HA       SER  24 -14.359   4.052  -4.116
  159    HB2  SER  24           1HB      SER  24 -14.957   5.265  -6.716
  160    HB3  SER  24           2HB      SER  24 -14.618   6.035  -5.165
  161    HG   SER  24           HG       SER  24 -12.485   6.006  -5.576
  162    H    GLY  25           H        GLY  25 -16.080   2.870  -3.723
  163    HA2  GLY  25           1HA      GLY  25 -18.358   2.393  -4.534
  164    HA3  GLY  25           2HA      GLY  25 -17.614   1.824  -6.021
  165    H    SER  26           H        SER  26 -15.697   0.174  -5.350
  166    HA   SER  26           HA       SER  26 -17.180  -2.053  -4.251
  167    HB2  SER  26           1HB      SER  26 -14.579  -2.887  -4.895
  168    HB3  SER  26           2HB      SER  26 -16.034  -3.083  -5.873
  169    HG   SER  26           HG       SER  26 -15.451  -1.446  -7.122
  170    H    ALA  27           H        ALA  27 -14.771   0.156  -3.214
  171    HA   ALA  27           HA       ALA  27 -13.794   0.520  -1.201
  172    HB1  ALA  27           1HB      ALA  27 -16.060  -1.150  -0.544
  173    HB2  ALA  27           2HB      ALA  27 -14.718  -1.398   0.572
  174    HB3  ALA  27           3HB      ALA  27 -15.376   0.221   0.329
  175    H    SER  28           H        SER  28 -12.873  -1.632  -3.152
  176    HA   SER  28           HA       SER  28 -11.271  -3.334  -1.445
  177    HB2  SER  28           1HB      SER  28 -10.631  -3.151  -4.329
  178    HB3  SER  28           2HB      SER  28 -10.895  -4.576  -3.320
  179    HG   SER  28           HG       SER  28 -13.128  -4.200  -3.452
  180    H    LEU  29           H        LEU  29  -9.084  -3.093  -1.061
  181    HA   LEU  29           HA       LEU  29  -8.042  -0.435  -1.679
  182    HB2  LEU  29           1HB      LEU  29  -8.042  -1.955   0.637
  183    HB3  LEU  29           2HB      LEU  29  -6.399  -2.112   0.045
  184    HG   LEU  29           HG       LEU  29  -5.959   0.166   0.271
  185   HD11  LEU  29          1HD1      LEU  29  -7.861   1.780   0.863
  186   HD12  LEU  29          2HD1      LEU  29  -7.727   1.240  -0.811
  187   HD13  LEU  29          3HD1      LEU  29  -8.936   0.522   0.254
  188   HD21  LEU  29          3HD2      LEU  29  -7.533   0.502   2.578
  189   HD22  LEU  29          1HD2      LEU  29  -7.166  -1.218   2.456
  190   HD23  LEU  29          2HD2      LEU  29  -5.856  -0.037   2.471
  191    H    GLY  30           H        GLY  30  -7.209  -0.535  -3.695
  192    HA2  GLY  30           1HA      GLY  30  -5.459  -2.713  -4.499
  193    HA3  GLY  30           2HA      GLY  30  -5.893  -1.304  -5.466
  194    H    CYS  31           H        CYS  31  -3.925  -2.389  -2.758
  195    HA   CYS  31           HA       CYS  31  -2.563   0.163  -2.632
  196    HB2  CYS  31           1HB      CYS  31  -3.265  -1.664  -0.740
  197    HB3  CYS  31           2HB      CYS  31  -1.566  -2.053  -0.980
  198    H    VAL  32           H        VAL  32  -0.407   0.510  -2.966
  199    HA   VAL  32           HA       VAL  32   1.154  -1.710  -4.121
  200    HB   VAL  32           HB       VAL  32   1.864   1.132  -4.740
  201   HG11  VAL  32          1HG1      VAL  32   3.458  -0.034  -5.780
  202   HG12  VAL  32          2HG1      VAL  32   2.550  -1.541  -5.669
  203   HG13  VAL  32          3HG1      VAL  32   2.223  -0.410  -6.983
  204   HG21  VAL  32          3HG2      VAL  32  -0.472   1.112  -5.318
  205   HG22  VAL  32          1HG2      VAL  32   0.479   1.025  -6.800
  206   HG23  VAL  32          2HG2      VAL  32  -0.291  -0.427  -6.161
  207    H    VAL  33           H        VAL  33   3.026  -2.154  -3.095
  208    HA   VAL  33           HA       VAL  33   3.612  -0.985  -0.598
  209    HB   VAL  33           HB       VAL  33   5.623  -2.519  -2.235
  210   HG11  VAL  33          1HG1      VAL  33   5.609  -3.333   0.447
  211   HG12  VAL  33          2HG1      VAL  33   6.818  -2.344  -0.371
  212   HG13  VAL  33          3HG1      VAL  33   5.475  -1.575   0.472
  213   HG21  VAL  33          3HG2      VAL  33   4.293  -4.297  -2.299
  214   HG22  VAL  33          1HG2      VAL  33   4.243  -4.296  -0.535
  215   HG23  VAL  33          2HG2      VAL  33   3.023  -3.411  -1.452
  216    H    GLY  34           H        GLY  34   4.636   0.823  -0.114
  217    HA2  GLY  34           1HA      GLY  34   5.684   2.494  -2.185
  218    HA3  GLY  34           2HA      GLY  34   5.674   2.844  -0.462
  219    H    VAL  35           H        VAL  35   7.712   2.859  -2.784
  220    HA   VAL  35           HA       VAL  35   9.884   1.695  -1.191
  221    HB   VAL  35           HB       VAL  35  10.850   1.357  -3.723
  222   HG11  VAL  35          1HG1      VAL  35  11.178  -0.267  -2.039
  223   HG12  VAL  35          2HG1      VAL  35   9.448  -0.577  -1.895
  224   HG13  VAL  35          3HG1      VAL  35  10.318  -1.087  -3.342
  225   HG21  VAL  35          3HG2      VAL  35   8.019   1.499  -4.015
  226   HG22  VAL  35          1HG2      VAL  35   9.242   1.174  -5.243
  227   HG23  VAL  35          2HG2      VAL  35   8.539  -0.158  -4.326
  228    H    ILE  36           H        ILE  36  11.621   2.431  -3.593
  229    HA   ILE  36           HA       ILE  36  12.302   5.003  -2.523
  230    HB   ILE  36           HB       ILE  36  13.575   3.739  -4.939
  231   HG12  ILE  36          2HG1      ILE  36  15.106   3.074  -2.682
  232   HG13  ILE  36          1HG1      ILE  36  13.444   2.671  -2.258
  233   HG21  ILE  36          1HG2      ILE  36  14.124   6.009  -3.259
  234   HG22  ILE  36          2HG2      ILE  36  15.483   4.885  -3.268
  235   HG23  ILE  36          3HG2      ILE  36  14.865   5.532  -4.787
  236   HD11  ILE  36          3HD1      ILE  36  15.255   1.439  -4.216
  237   HD12  ILE  36          1HD1      ILE  36  13.972   0.724  -3.240
  238   HD13  ILE  36          2HD1      ILE  36  13.572   1.600  -4.717
  239    H    GLY  37           H        GLY  37  11.321   6.795  -3.153
  240    HA2  GLY  37           1HA      GLY  37  10.767   8.532  -4.549
  241    HA3  GLY  37           2HA      GLY  37  11.474   7.625  -5.876
  242    H    SER  38           H        SER  38   8.965   6.191  -3.961
  243    HA   SER  38           HA       SER  38   7.300   5.815  -6.221
  244    HB2  SER  38           1HB      SER  38   6.624   5.459  -3.289
  245    HB3  SER  38           2HB      SER  38   5.729   4.786  -4.655
  246    HG   SER  38           HG       SER  38   7.677   3.648  -5.206
  247    H    GLN  39           H        GLN  39   6.212   7.360  -7.171
  248    HA   GLN  39           HA       GLN  39   5.114   9.573  -5.602
  249    HB2  GLN  39           1HB      GLN  39   6.362   9.465  -8.074
  250    HB3  GLN  39           2HB      GLN  39   4.661   9.636  -8.484
  251    HG2  GLN  39           1HG      GLN  39   4.627  11.774  -7.881
  252    HG3  GLN  39           2HG      GLN  39   5.465  11.445  -6.365
  253   HE21  GLN  39          1HE2      GLN  39   6.856  13.122  -6.419
  254   HE22  GLN  39          2HE2      GLN  39   8.105  13.310  -7.610
  255    H    CYS  40           H        CYS  40   3.728   7.570  -4.829
  256    HA   CYS  40           HA       CYS  40   1.656   6.623  -6.487
  257    HB2  CYS  40           1HB      CYS  40   0.625   6.430  -3.950
  258    HB3  CYS  40           2HB      CYS  40   1.670   5.234  -4.709
  259    H    GLY  41           H        GLY  41  -0.198   7.503  -7.113
  260    HA2  GLY  41           1HA      GLY  41  -0.881  10.168  -6.135
  261    HA3  GLY  41           2HA      GLY  41  -1.585   9.356  -7.527
  262    H    ALA  42           H        ALA  42  -1.278   8.606  -4.076
  263    HA   ALA  42           HA       ALA  42  -4.111   8.654  -3.651
  264    HB1  ALA  42           1HB      ALA  42  -4.512   6.556  -4.317
  265    HB2  ALA  42           2HB      ALA  42  -2.796   6.146  -4.356
  266    HB3  ALA  42           3HB      ALA  42  -3.686   6.069  -2.836
  267    H    SER  43           H        SER  43  -4.399   7.297  -1.376
  268    HA   SER  43           HA       SER  43  -2.787   8.814   0.463
  269    HB2  SER  43           1HB      SER  43  -4.512   6.823   1.688
  270    HB3  SER  43           2HB      SER  43  -4.584   8.583   1.792
  271    HG   SER  43           HG       SER  43  -6.282   7.061   0.563
  272    H    VAL  44           H        VAL  44  -1.187   8.075   1.782
  273    HA   VAL  44           HA       VAL  44  -0.295   5.306   1.342
  274    HB   VAL  44           HB       VAL  44   1.261   7.562   2.619
  275   HG11  VAL  44          1HG1      VAL  44   1.879   5.124   3.063
  276   HG12  VAL  44          2HG1      VAL  44   2.355   5.061   1.366
  277   HG13  VAL  44          3HG1      VAL  44   3.154   6.185   2.465
  278   HG21  VAL  44          3HG2      VAL  44   2.400   7.841   0.502
  279   HG22  VAL  44          1HG2      VAL  44   1.418   6.571  -0.226
  280   HG23  VAL  44          2HG2      VAL  44   0.667   8.084   0.282
  281    H    LYS  45           H        LYS  45  -0.512   3.854   2.891
  282    HA   LYS  45           HA       LYS  45  -0.946   4.784   5.655
  283    HB2  LYS  45           1HB      LYS  45  -2.218   2.479   4.171
  284    HB3  LYS  45           2HB      LYS  45  -2.293   2.653   5.919
  285    HG2  LYS  45           1HG      LYS  45  -3.862   4.248   5.823
  286    HG3  LYS  45           2HG      LYS  45  -3.136   5.023   4.414
  287    HD2  LYS  45           1HD      LYS  45  -5.177   4.208   3.614
  288    HD3  LYS  45           2HD      LYS  45  -4.006   2.991   3.103
  289    HE2  LYS  45           2HE      LYS  45  -6.018   1.961   4.025
  290    HE3  LYS  45           1HE      LYS  45  -4.600   1.597   5.007
  291    HZ1  LYS  45           3HZ      LYS  45  -6.960   2.586   5.924
  292    HZ2  LYS  45           1HZ      LYS  45  -5.973   3.964   5.869
  293    HZ3  LYS  45           2HZ      LYS  45  -5.485   2.609   6.766
  294    H    CYS  46           H        CYS  46  -0.661   2.605   7.099
  295    HA   CYS  46           HA       CYS  46   1.884   1.391   6.257
  296    HB2  CYS  46           1HB      CYS  46   1.210   1.826   9.148
  297    HB3  CYS  46           2HB      CYS  46   2.787   1.598   8.399
  298    H    CYS  47           H        CYS  47   1.241  -0.570   5.614
  299    HA   CYS  47           HA       CYS  47  -0.369  -2.167   7.489
  300    HB2  CYS  47           1HB      CYS  47  -0.677  -2.713   4.587
  301    HB3  CYS  47           2HB      CYS  47  -1.862  -2.810   5.883
  302    H    LYS  48           H        LYS  48  -0.261  -4.590   6.767
  303    HA   LYS  48           HA       LYS  48   2.498  -5.209   5.922
  304    HB2  LYS  48           1HB      LYS  48   2.343  -5.563   8.327
  305    HB3  LYS  48           2HB      LYS  48   0.865  -6.496   8.126
  306    HG2  LYS  48           1HG      LYS  48   2.818  -7.749   6.534
  307    HG3  LYS  48           2HG      LYS  48   3.579  -7.383   8.084
  308    HD2  LYS  48           1HD      LYS  48   1.917  -8.585   9.285
  309    HD3  LYS  48           2HD      LYS  48   0.890  -8.722   7.854
  310    HE2  LYS  48           2HE      LYS  48   2.919  -9.982   6.835
  311    HE3  LYS  48           1HE      LYS  48   3.429 -10.169   8.513
  312    HZ1  LYS  48           3HZ      LYS  48   0.766 -11.003   7.491
  313    HZ2  LYS  48           1HZ      LYS  48   1.431 -11.339   9.017
  314    HZ3  LYS  48           2HZ      LYS  48   2.097 -12.046   7.627
  315    H    ASP  49           H        ASP  49  -0.292  -7.141   6.804
  316    HA   ASP  49           HA       ASP  49  -1.702  -8.484   5.689
  317    HB2  ASP  49           1HB      ASP  49  -1.097  -6.562   3.435
  318    HB3  ASP  49           2HB      ASP  49  -2.430  -7.714   3.445
  319    H    ASP  50           H        ASP  50  -1.129  -8.559   2.555
  320    HA   ASP  50           HA       ASP  50   0.118 -11.171   2.827
  321    HB2  ASP  50           1HB      ASP  50  -1.959 -10.117   1.258
  322    HB3  ASP  50           2HB      ASP  50  -0.659 -10.498   0.132
  323    H    VAL  51           H        VAL  51   1.806  -8.817   3.059
  324    HA   VAL  51           HA       VAL  51   3.186  -8.264   0.670
  325    HB   VAL  51           HB       VAL  51   3.328  -6.791   2.617
  326   HG11  VAL  51          1HG1      VAL  51   4.840  -7.392   4.504
  327   HG12  VAL  51          2HG1      VAL  51   3.353  -8.339   4.434
  328   HG13  VAL  51          3HG1      VAL  51   4.874  -9.043   3.885
  329   HG21  VAL  51          3HG2      VAL  51   5.335  -7.359   0.861
  330   HG22  VAL  51          1HG2      VAL  51   5.322  -6.001   1.986
  331   HG23  VAL  51          2HG2      VAL  51   6.159  -7.493   2.415
  332    H    THR  52           H        THR  52   3.668 -10.737   3.131
  333    HA   THR  52           HA       THR  52   5.974 -11.775   1.650
  334    HB   THR  52           HB       THR  52   5.642 -13.369   3.897
  335    HG1  THR  52           1HG      THR  52   5.177 -11.998   5.584
  336   HG21  THR  52          3HG2      THR  52   7.582 -11.736   2.788
  337   HG22  THR  52          1HG2      THR  52   7.772 -12.764   4.209
  338   HG23  THR  52          2HG2      THR  52   7.342 -11.065   4.400
  339    H    ASN  53           H        ASN  53   3.105 -12.042   0.829
  340    HA   ASN  53           HA       ASN  53   2.990 -14.979   0.776
  341    HB2  ASN  53           1HB      ASN  53   1.408 -13.775   2.453
  342    HB3  ASN  53           2HB      ASN  53   0.482 -13.352   1.017
  343   HD21  ASN  53          1HD2      ASN  53  -1.242 -14.571   1.895
  344   HD22  ASN  53          2HD2      ASN  53  -1.248 -16.306   1.787
  345    H    THR  54           H        THR  54   0.396 -13.038  -0.499
  346    HA   THR  54           HA       THR  54   1.256 -13.837  -3.202
  347    HB   THR  54           HB       THR  54  -1.567 -13.097  -2.811
  348    HG1  THR  54           1HG      THR  54  -1.233 -14.206  -0.867
  349   HG21  THR  54          3HG2      THR  54  -0.609 -14.056  -4.898
  350   HG22  THR  54          1HG2      THR  54  -1.946 -15.000  -4.239
  351   HG23  THR  54          2HG2      THR  54  -0.284 -15.548  -4.016
  352    H    GLY  55           H        GLY  55   2.316 -11.484  -2.218
  353    HA2  GLY  55           1HA      GLY  55   1.136  -9.589  -4.089
  354    HA3  GLY  55           2HA      GLY  55   1.211  -9.088  -2.405
  355    H    ASN  56           H        ASN  56   2.587  -8.223  -4.989
  356    HA   ASN  56           HA       ASN  56   5.083  -7.605  -3.682
  357    HB2  ASN  56           1HB      ASN  56   5.304  -9.863  -5.021
  358    HB3  ASN  56           2HB      ASN  56   5.387  -8.792  -6.416
  359   HD21  ASN  56          1HD2      ASN  56   7.518 -10.265  -6.070
  360   HD22  ASN  56          2HD2      ASN  56   8.835  -9.362  -5.394
  361    H    SER  57           H        SER  57   3.394  -7.557  -6.814
  362    HA   SER  57           HA       SER  57   4.387  -4.862  -7.322
  363    HB2  SER  57           1HB      SER  57   2.537  -5.711  -9.312
  364    HB3  SER  57           2HB      SER  57   4.289  -5.550  -9.459
  365    HG   SER  57           HG       SER  57   4.452  -7.643  -9.418
  366    H    PHE  58           H        PHE  58   1.421  -6.619  -6.663
  367    HA   PHE  58           HA       PHE  58   0.074  -4.071  -6.140
  368    HB2  PHE  58           1HB      PHE  58  -0.423  -5.450  -8.447
  369    HB3  PHE  58           2HB      PHE  58  -1.644  -6.117  -7.366
  370    HD1  PHE  58           1HD      PHE  58  -0.345  -2.674  -7.199
  371    HD2  PHE  58           2HD      PHE  58  -3.553  -5.189  -8.405
  372    HE1  PHE  58           1HE      PHE  58  -1.741  -0.693  -7.591
  373    HE2  PHE  58           2HE      PHE  58  -4.961  -3.213  -8.799
  374    HZ   PHE  58           HZ       PHE  58  -4.054  -0.960  -8.394
  375    H    LEU  59           H        LEU  59  -0.918  -4.072  -4.262
  376    HA   LEU  59           HA       LEU  59  -1.438  -6.668  -2.965
  377    HB2  LEU  59           1HB      LEU  59  -0.240  -4.144  -2.015
  378    HB3  LEU  59           2HB      LEU  59  -1.405  -4.862  -0.922
  379    HG   LEU  59           HG       LEU  59   0.819  -5.566  -0.318
  380   HD11  LEU  59          1HD1      LEU  59   0.337  -7.767   0.034
  381   HD12  LEU  59          2HD1      LEU  59  -1.257  -7.193  -0.456
  382   HD13  LEU  59          3HD1      LEU  59  -0.223  -8.021  -1.618
  383   HD21  LEU  59          3HD2      LEU  59   1.935  -7.175  -2.062
  384   HD22  LEU  59          1HD2      LEU  59   1.021  -6.200  -3.214
  385   HD23  LEU  59          2HD2      LEU  59   2.192  -5.432  -2.141
  386    H    ILE  60           H        ILE  60  -3.552  -6.838  -3.766
  387    HA   ILE  60           HA       ILE  60  -5.479  -4.763  -3.222
  388    HB   ILE  60           HB       ILE  60  -6.017  -7.628  -4.045
  389   HG12  ILE  60          2HG1      ILE  60  -6.377  -5.930  -6.244
  390   HG13  ILE  60          1HG1      ILE  60  -4.860  -5.415  -5.518
  391   HG21  ILE  60          1HG2      ILE  60  -7.699  -5.130  -4.272
  392   HG22  ILE  60          2HG2      ILE  60  -8.139  -6.722  -4.892
  393   HG23  ILE  60          3HG2      ILE  60  -7.972  -6.466  -3.154
  394   HD11  ILE  60          3HD1      ILE  60  -4.010  -7.695  -5.669
  395   HD12  ILE  60          1HD1      ILE  60  -5.533  -8.214  -6.395
  396   HD13  ILE  60          2HD1      ILE  60  -4.493  -7.071  -7.245
  397    H    ILE  61           H        ILE  61  -5.205  -4.502  -1.008
  398    HA   ILE  61           HA       ILE  61  -5.533  -6.822   0.732
  399    HB   ILE  61           HB       ILE  61  -4.835  -5.140   2.522
  400   HG12  ILE  61          2HG1      ILE  61  -3.773  -3.544   0.207
  401   HG13  ILE  61          1HG1      ILE  61  -5.363  -3.193   0.873
  402   HG21  ILE  61          1HG2      ILE  61  -3.354  -6.849   1.591
  403   HG22  ILE  61          2HG2      ILE  61  -2.908  -5.749   0.286
  404   HG23  ILE  61          3HG2      ILE  61  -2.478  -5.360   1.952
  405   HD11  ILE  61          3HD1      ILE  61  -2.708  -2.576   1.911
  406   HD12  ILE  61          1HD1      ILE  61  -4.261  -1.797   2.216
  407   HD13  ILE  61          2HD1      ILE  61  -3.810  -3.248   3.113
  408    H    ASN  62           H        ASN  62  -6.631  -6.319   2.871
  409    HA   ASN  62           HA       ASN  62  -9.192  -4.958   2.333
  410    HB2  ASN  62           1HB      ASN  62  -8.852  -7.511   3.124
  411    HB3  ASN  62           2HB      ASN  62  -8.867  -6.731   4.700
  412   HD21  ASN  62          1HD2      ASN  62 -10.695  -7.534   1.884
  413   HD22  ASN  62          2HD2      ASN  62 -12.251  -7.092   2.510
  414    H    ALA  63           H        ALA  63  -6.342  -4.274   3.558
  415    HA   ALA  63           HA       ALA  63  -5.442  -2.927   5.142
  416    HB1  ALA  63           1HB      ALA  63  -8.126  -1.839   4.703
  417    HB2  ALA  63           2HB      ALA  63  -7.410  -1.404   6.256
  418    HB3  ALA  63           3HB      ALA  63  -6.562  -1.023   4.756
  419    H    ALA  64           H        ALA  64  -6.702  -5.557   5.852
  420    HA   ALA  64           HA       ALA  64  -7.759  -5.235   8.509
  421    HB1  ALA  64           1HB      ALA  64  -8.454  -7.060   6.954
  422    HB2  ALA  64           2HB      ALA  64  -6.858  -7.782   7.164
  423    HB3  ALA  64           3HB      ALA  64  -7.944  -7.626   8.545
  424    H    ASN  65           H        ASN  65  -4.680  -5.729   7.055
  425    HA   ASN  65           HA       ASN  65  -3.464  -6.154   9.705
  426    HB2  ASN  65           1HB      ASN  65  -2.164  -6.549   7.005
  427    HB3  ASN  65           2HB      ASN  65  -1.531  -7.049   8.572
  428   HD21  ASN  65          1HD2      ASN  65  -3.812  -7.690   6.045
  429   HD22  ASN  65          2HD2      ASN  65  -4.219  -9.293   6.549
  430    H    CYS  66           H        CYS  66  -4.427  -3.693   8.151
  431    HA   CYS  66           HA       CYS  66  -1.955  -2.149   8.080
  432    HB2  CYS  66           1HB      CYS  66  -3.889  -2.034   6.327
  433    HB3  CYS  66           2HB      CYS  66  -4.674  -1.008   7.525
  434    H    VAL  67           H        VAL  67  -1.452  -0.582   9.541
  435    HA   VAL  67           HA       VAL  67  -3.057  -0.604  11.992
  436    HB   VAL  67           HB       VAL  67  -0.502  -1.065  11.870
  437   HG11  VAL  67          1HG1      VAL  67   0.925   0.589  11.422
  438   HG12  VAL  67          2HG1      VAL  67  -0.465   1.465  10.779
  439   HG13  VAL  67          3HG1      VAL  67   0.051   1.728  12.445
  440   HG21  VAL  67          3HG2      VAL  67  -0.426   0.584  14.064
  441   HG22  VAL  67          1HG2      VAL  67  -2.152   0.281  13.855
  442   HG23  VAL  67          2HG2      VAL  67  -1.035  -1.071  14.037
  443    H    ALA  68           H        ALA  68  -2.654   1.303   9.284
  444    HA   ALA  68           HA       ALA  68  -3.628   3.680  10.711
  445    HB1  ALA  68           1HB      ALA  68  -1.472   3.536   8.624
  446    HB2  ALA  68           2HB      ALA  68  -2.363   5.024   8.945
  447    HB3  ALA  68           3HB      ALA  68  -1.406   4.274  10.225
  Start of MODEL   17
    1    H1   SER   1           1H       SER   1  -2.295  15.066  -5.359
    2    H2   SER   1           2H       SER   1  -3.089  15.248  -6.846
    3    H3   SER   1           3H       SER   1  -2.324  16.578  -6.122
    4    HA   SER   1           HA       SER   1  -1.268  14.877  -7.983
    5    HB2  SER   1           1HB      SER   1   0.723  16.368  -6.489
    6    HB3  SER   1           2HB      SER   1   0.126  16.632  -8.126
    7    HG   SER   1           HG       SER   1  -0.485  18.421  -7.037
    8    H    ALA   2           H        ALA   2   1.151  14.073  -7.677
    9    HA   ALA   2           HA       ALA   2   1.005  12.038  -5.590
   10    HB1  ALA   2           1HB      ALA   2   2.227  12.239  -8.223
   11    HB2  ALA   2           2HB      ALA   2   3.307  11.549  -7.013
   12    HB3  ALA   2           3HB      ALA   2   1.731  10.816  -7.309
   13    H    THR   3           H        THR   3   1.854  12.522  -3.686
   14    HA   THR   3           HA       THR   3   3.854  14.557  -3.376
   15    HB   THR   3           HB       THR   3   3.066  12.602  -1.234
   16    HG1  THR   3           1HG      THR   3   1.587  14.877  -2.145
   17   HG21  THR   3          3HG2      THR   3   3.122  15.241  -0.297
   18   HG22  THR   3          1HG2      THR   3   4.514  15.089  -1.369
   19   HG23  THR   3          2HG2      THR   3   4.320  13.979  -0.012
   20    H    THR   4           H        THR   4   3.751  11.081  -3.516
   21    HA   THR   4           HA       THR   4   5.364   9.497  -3.709
   22    HB   THR   4           HB       THR   4   7.529  11.587  -3.745
   23    HG1  THR   4           1HG      THR   4   6.175  12.430  -5.247
   24   HG21  THR   4          3HG2      THR   4   7.926   9.040  -3.857
   25   HG22  THR   4          1HG2      THR   4   8.724  10.056  -5.056
   26   HG23  THR   4          2HG2      THR   4   7.272   9.155  -5.490
   27    H    ILE   5           H        ILE   5   7.383   8.662  -2.521
   28    HA   ILE   5           HA       ILE   5   7.286   9.568   0.274
   29    HB   ILE   5           HB       ILE   5   7.799   7.153   0.853
   30   HG12  ILE   5          2HG1      ILE   5   6.746   6.645  -1.932
   31   HG13  ILE   5          1HG1      ILE   5   8.433   6.470  -1.447
   32   HG21  ILE   5          1HG2      ILE   5   5.583   8.281   1.128
   33   HG22  ILE   5          2HG2      ILE   5   5.106   7.584  -0.421
   34   HG23  ILE   5          3HG2      ILE   5   5.501   6.530   0.936
   35   HD11  ILE   5          3HD1      ILE   5   6.508   5.002   0.207
   36   HD12  ILE   5          1HD1      ILE   5   6.629   4.463  -1.468
   37   HD13  ILE   5          2HD1      ILE   5   8.067   4.501  -0.446
   38    H    GLY   6           H        GLY   6   9.216   9.776   1.317
   39    HA2  GLY   6           1HA      GLY   6  11.613   9.755  -0.279
   40    HA3  GLY   6           2HA      GLY   6  11.488  10.211   1.414
   41    HA   PRO   7           HA       PRO   7  13.665   6.161   1.174
   42    HB2  PRO   7           1HB      PRO   7  15.718   6.767   2.803
   43    HB3  PRO   7           2HB      PRO   7  15.697   7.248   1.102
   44    HG2  PRO   7           1HG      PRO   7  15.085   8.870   3.541
   45    HG3  PRO   7           2HG      PRO   7  15.990   9.329   2.086
   46    HD2  PRO   7           1HD      PRO   7  13.369  10.006   2.544
   47    HD3  PRO   7           2HD      PRO   7  14.088   9.859   0.928
   48    H    ASN   8           H        ASN   8  12.447   8.054   3.792
   49    HA   ASN   8           HA       ASN   8  11.992   5.620   5.330
   50    HB2  ASN   8           1HB      ASN   8  14.128   6.804   6.141
   51    HB3  ASN   8           2HB      ASN   8  13.058   8.068   6.735
   52   HD21  ASN   8          1HD2      ASN   8  14.617   5.261   7.520
   53   HD22  ASN   8          2HD2      ASN   8  13.691   4.801   8.907
   54    H    THR   9           H        THR   9   9.872   6.090   4.407
   55    HA   THR   9           HA       THR   9   8.447   8.300   5.667
   56    HB   THR   9           HB       THR   9   6.595   6.790   4.261
   57    HG1  THR   9           1HG      THR   9   8.619   7.030   2.382
   58   HG21  THR   9          3HG2      THR   9   7.987   9.331   3.987
   59   HG22  THR   9          1HG2      THR   9   6.292   8.932   3.707
   60   HG23  THR   9          2HG2      THR   9   7.484   8.651   2.438
   61    H    CYS  10           H        CYS  10   6.898   5.281   4.970
   62    HA   CYS  10           HA       CYS  10   6.092   5.040   7.759
   63    HB2  CYS  10           1HB      CYS  10   4.742   4.693   5.362
   64    HB3  CYS  10           2HB      CYS  10   5.047   3.045   5.895
   65    H    SER  11           H        SER  11   8.101   4.301   8.578
   66    HA   SER  11           HA       SER  11   8.697   1.503   7.885
   67    HB2  SER  11           1HB      SER  11  10.743   3.553   8.766
   68    HB3  SER  11           2HB      SER  11  11.049   1.914   8.192
   69    HG   SER  11           HG       SER  11   9.684   2.980   6.288
   70    H    ILE  12           H        ILE  12   7.190   0.997   9.584
   71    HA   ILE  12           HA       ILE  12   8.141   1.598  12.292
   72    HB   ILE  12           HB       ILE  12   5.618   0.095  12.008
   73   HG12  ILE  12          2HG1      ILE  12   5.863   2.961  11.070
   74   HG13  ILE  12          1HG1      ILE  12   5.383   1.579  10.089
   75   HG21  ILE  12          1HG2      ILE  12   5.194   2.367  13.520
   76   HG22  ILE  12          2HG2      ILE  12   5.639   0.775  14.135
   77   HG23  ILE  12          3HG2      ILE  12   6.888   1.978  13.821
   78   HD11  ILE  12          3HD1      ILE  12   3.827   3.183  12.005
   79   HD12  ILE  12          1HD1      ILE  12   3.322   2.361  10.530
   80   HD13  ILE  12          2HD1      ILE  12   3.524   1.447  12.024
   81    H    ASP  13           H        ASP  13   6.950  -0.588  13.594
   82    HA   ASP  13           HA       ASP  13   9.027  -2.409  13.651
   83    HB2  ASP  13           1HB      ASP  13   7.760  -2.508  15.555
   84    HB3  ASP  13           2HB      ASP  13   6.240  -2.357  14.685
   85    H    ASP  14           H        ASP  14   5.777  -3.087  12.281
   86    HA   ASP  14           HA       ASP  14   7.112  -4.704  10.240
   87    HB2  ASP  14           1HB      ASP  14   6.231  -6.093  12.246
   88    HB3  ASP  14           2HB      ASP  14   4.638  -5.780  11.563
   89    H    TYR  15           H        TYR  15   5.731  -2.096  10.331
   90    HA   TYR  15           HA       TYR  15   3.550  -2.683   8.447
   91    HB2  TYR  15           1HB      TYR  15   4.013  -0.177  10.084
   92    HB3  TYR  15           2HB      TYR  15   2.678  -0.438   8.966
   93    HD1  TYR  15           1HD      TYR  15   0.976  -2.188   9.479
   94    HD2  TYR  15           2HD      TYR  15   3.947  -1.042  12.297
   95    HE1  TYR  15           1HE      TYR  15  -0.337  -3.236  11.272
   96    HE2  TYR  15           2HE      TYR  15   2.642  -2.087  14.103
   97    HH   TYR  15           HH       TYR  15   0.114  -2.648  14.467
   98    H    LYS  16           H        LYS  16   3.769  -2.082   6.403
   99    HA   LYS  16           HA       LYS  16   6.280  -0.734   5.697
  100    HB2  LYS  16           1HB      LYS  16   4.612  -2.759   4.194
  101    HB3  LYS  16           2HB      LYS  16   5.989  -1.921   3.492
  102    HG2  LYS  16           1HG      LYS  16   7.209  -3.637   4.212
  103    HG3  LYS  16           2HG      LYS  16   7.019  -2.950   5.826
  104    HD2  LYS  16           1HD      LYS  16   4.845  -4.295   5.947
  105    HD3  LYS  16           2HD      LYS  16   5.453  -5.167   4.537
  106    HE2  LYS  16           2HE      LYS  16   7.117  -6.191   5.718
  107    HE3  LYS  16           1HE      LYS  16   7.282  -4.851   6.851
  108    HZ1  LYS  16           3HZ      LYS  16   5.205  -6.968   6.841
  109    HZ2  LYS  16           1HZ      LYS  16   5.080  -5.559   7.774
  110    HZ3  LYS  16           2HZ      LYS  16   6.354  -6.644   8.046
  111    HA   PRO  17           HA       PRO  17   3.990   2.484   3.724
  112    HB2  PRO  17           1HB      PRO  17   5.960   2.915   1.676
  113    HB3  PRO  17           2HB      PRO  17   5.733   3.818   3.174
  114    HG2  PRO  17           1HG      PRO  17   7.913   2.220   2.616
  115    HG3  PRO  17           2HG      PRO  17   7.388   2.679   4.243
  116    HD2  PRO  17           1HD      PRO  17   6.952   0.132   2.753
  117    HD3  PRO  17           2HD      PRO  17   7.256   0.391   4.484
  118    H    TYR  18           H        TYR  18   2.208   1.783   2.670
  119    HA   TYR  18           HA       TYR  18   2.599   0.614  -0.003
  120    HB2  TYR  18           1HB      TYR  18   0.419   0.225   2.039
  121    HB3  TYR  18           2HB      TYR  18   0.210  -0.227   0.350
  122    HD1  TYR  18           2HD      TYR  18   2.127  -1.774  -0.620
  123    HD2  TYR  18           1HD      TYR  18   1.224  -1.355   3.520
  124    HE1  TYR  18           2HE      TYR  18   3.186  -3.950  -0.171
  125    HE2  TYR  18           1HE      TYR  18   2.281  -3.526   3.972
  126    HH   TYR  18           HH       TYR  18   2.735  -5.784   2.096
  127    H    CYS  19           H        CYS  19   1.893   1.717  -1.706
  128    HA   CYS  19           HA       CYS  19   0.542   4.238  -1.337
  129    HB2  CYS  19           1HB      CYS  19   1.495   2.732  -3.779
  130    HB3  CYS  19           2HB      CYS  19   0.611   4.254  -3.889
  131    H    CYS  20           H        CYS  20  -1.319   3.249  -0.283
  132    HA   CYS  20           HA       CYS  20  -3.044   1.526  -1.798
  133    HB2  CYS  20           1HB      CYS  20  -3.289   2.872   0.886
  134    HB3  CYS  20           2HB      CYS  20  -4.595   1.918   0.190
  135    H    GLN  21           H        GLN  21  -4.235   2.273  -3.405
  136    HA   GLN  21           HA       GLN  21  -5.244   4.969  -3.451
  137    HB2  GLN  21           1HB      GLN  21  -5.780   2.570  -5.215
  138    HB3  GLN  21           2HB      GLN  21  -6.488   4.155  -5.487
  139    HG2  GLN  21           1HG      GLN  21  -3.541   3.554  -5.461
  140    HG3  GLN  21           2HG      GLN  21  -4.534   3.729  -6.906
  141   HE21  GLN  21          1HE2      GLN  21  -2.218   5.255  -6.148
  142   HE22  GLN  21          2HE2      GLN  21  -2.733   6.904  -6.019
  143    H    SER  22           H        SER  22  -7.259   5.647  -2.893
  144    HA   SER  22           HA       SER  22  -8.743   3.921  -1.137
  145    HB2  SER  22           1HB      SER  22  -9.734   6.625  -1.933
  146    HB3  SER  22           2HB      SER  22  -9.724   5.854  -0.344
  147    HG   SER  22           HG       SER  22  -7.279   6.047  -0.699
  148    H    MET  23           H        MET  23  -9.976   2.427  -2.051
  149    HA   MET  23           HA       MET  23 -11.303   2.846  -4.572
  150    HB2  MET  23           1HB      MET  23 -11.966   0.531  -2.809
  151    HB3  MET  23           2HB      MET  23 -11.782   0.588  -4.554
  152    HG2  MET  23           1HG      MET  23  -9.287   1.189  -3.277
  153    HG3  MET  23           2HG      MET  23  -9.941  -0.331  -2.667
  154    HE1  MET  23           3HE      MET  23 -10.403  -2.355  -3.934
  155    HE2  MET  23           1HE      MET  23  -9.403  -2.822  -5.309
  156    HE3  MET  23           2HE      MET  23  -8.646  -2.370  -3.783
  157    H    SER  24           H        SER  24 -13.348   3.482  -4.889
  158    HA   SER  24           HA       SER  24 -14.817   4.482  -2.631
  159    HB2  SER  24           1HB      SER  24 -15.955   4.417  -5.396
  160    HB3  SER  24           2HB      SER  24 -16.048   5.686  -4.175
  161    HG   SER  24           HG       SER  24 -14.057   6.370  -4.694
  162    H    GLY  25           H        GLY  25 -15.176   1.822  -4.934
  163    HA2  GLY  25           1HA      GLY  25 -17.589   0.976  -3.447
  164    HA3  GLY  25           2HA      GLY  25 -17.309   0.631  -5.147
  165    H    SER  26           H        SER  26 -15.044   0.325  -2.444
  166    HA   SER  26           HA       SER  26 -15.314  -2.556  -2.450
  167    HB2  SER  26           1HB      SER  26 -12.588  -1.367  -3.002
  168    HB3  SER  26           2HB      SER  26 -13.051  -3.068  -3.028
  169    HG   SER  26           HG       SER  26 -14.630  -1.826  -4.735
  170    H    ALA  27           H        ALA  27 -14.616  -3.493  -0.550
  171    HA   ALA  27           HA       ALA  27 -14.145  -1.674   1.653
  172    HB1  ALA  27           1HB      ALA  27 -15.170  -4.334   1.339
  173    HB2  ALA  27           2HB      ALA  27 -13.891  -4.326   2.553
  174    HB3  ALA  27           3HB      ALA  27 -15.283  -3.253   2.729
  175    H    SER  28           H        SER  28 -12.301  -3.669  -0.434
  176    HA   SER  28           HA       SER  28  -9.993  -3.754   1.327
  177    HB2  SER  28           1HB      SER  28  -9.309  -4.714  -1.227
  178    HB3  SER  28           2HB      SER  28  -9.695  -5.676   0.201
  179    HG   SER  28           HG       SER  28 -11.020  -5.728  -1.984
  180    H    LEU  29           H        LEU  29  -7.826  -3.224   0.177
  181    HA   LEU  29           HA       LEU  29  -8.165  -0.637  -1.187
  182    HB2  LEU  29           1HB      LEU  29  -5.908  -1.467   0.631
  183    HB3  LEU  29           2HB      LEU  29  -6.114   0.106  -0.118
  184    HG   LEU  29           HG       LEU  29  -8.368  -0.776   1.567
  185   HD11  LEU  29          1HD1      LEU  29  -5.611  -0.361   2.666
  186   HD12  LEU  29          2HD1      LEU  29  -7.047   0.012   3.618
  187   HD13  LEU  29          3HD1      LEU  29  -6.776  -1.631   3.035
  188   HD21  LEU  29          3HD2      LEU  29  -6.770   1.763   1.266
  189   HD22  LEU  29          1HD2      LEU  29  -8.362   1.418   0.593
  190   HD23  LEU  29          2HD2      LEU  29  -8.158   1.581   2.337
  191    H    GLY  30           H        GLY  30  -6.762  -0.108  -2.858
  192    HA2  GLY  30           1HA      GLY  30  -5.267  -2.388  -3.986
  193    HA3  GLY  30           2HA      GLY  30  -5.919  -1.043  -4.921
  194    H    CYS  31           H        CYS  31  -3.207  -2.258  -3.291
  195    HA   CYS  31           HA       CYS  31  -1.966   0.415  -3.292
  196    HB2  CYS  31           1HB      CYS  31  -1.068  -1.700  -1.386
  197    HB3  CYS  31           2HB      CYS  31  -1.015   0.052  -1.222
  198    H    VAL  32           H        VAL  32   0.092   0.615  -4.007
  199    HA   VAL  32           HA       VAL  32   1.429  -1.780  -5.068
  200    HB   VAL  32           HB       VAL  32   2.481   0.978  -5.564
  201   HG11  VAL  32          1HG1      VAL  32   2.946  -1.653  -6.534
  202   HG12  VAL  32          2HG1      VAL  32   2.390  -0.651  -7.874
  203   HG13  VAL  32          3HG1      VAL  32   3.798  -0.161  -6.932
  204   HG21  VAL  32          3HG2      VAL  32   0.021   1.103  -5.963
  205   HG22  VAL  32          1HG2      VAL  32   1.000   1.386  -7.403
  206   HG23  VAL  32          2HG2      VAL  32   0.202  -0.171  -7.171
  207    H    VAL  33           H        VAL  33   3.595  -2.225  -4.438
  208    HA   VAL  33           HA       VAL  33   4.211  -1.561  -1.748
  209    HB   VAL  33           HB       VAL  33   5.880  -2.891  -3.890
  210   HG11  VAL  33          1HG1      VAL  33   7.571  -3.336  -2.375
  211   HG12  VAL  33          2HG1      VAL  33   7.130  -1.678  -1.965
  212   HG13  VAL  33          3HG1      VAL  33   6.543  -3.015  -0.978
  213   HG21  VAL  33          3HG2      VAL  33   4.465  -4.564  -3.423
  214   HG22  VAL  33          1HG2      VAL  33   5.387  -4.727  -1.929
  215   HG23  VAL  33          2HG2      VAL  33   3.891  -3.792  -1.944
  216    H    GLY  34           H        GLY  34   5.148   0.193  -0.973
  217    HA2  GLY  34           1HA      GLY  34   6.090   2.229  -2.760
  218    HA3  GLY  34           2HA      GLY  34   5.979   2.336  -1.012
  219    H    VAL  35           H        VAL  35   8.072   2.725  -3.305
  220    HA   VAL  35           HA       VAL  35  10.311   1.773  -1.658
  221    HB   VAL  35           HB       VAL  35  11.072   2.044  -4.445
  222   HG11  VAL  35          1HG1      VAL  35  12.630   0.725  -3.573
  223   HG12  VAL  35          2HG1      VAL  35  11.643   0.425  -2.143
  224   HG13  VAL  35          3HG1      VAL  35  11.454  -0.591  -3.571
  225   HG21  VAL  35          3HG2      VAL  35   9.344   1.060  -5.469
  226   HG22  VAL  35          1HG2      VAL  35   9.854  -0.427  -4.671
  227   HG23  VAL  35          2HG2      VAL  35   8.610   0.584  -3.938
  228    H    ILE  36           H        ILE  36  12.385   3.044  -2.804
  229    HA   ILE  36           HA       ILE  36  11.903   5.763  -2.126
  230    HB   ILE  36           HB       ILE  36  14.348   4.924  -3.651
  231   HG12  ILE  36          2HG1      ILE  36  14.009   4.481  -0.680
  232   HG13  ILE  36          1HG1      ILE  36  13.788   3.200  -1.868
  233   HG21  ILE  36          1HG2      ILE  36  15.003   6.956  -3.053
  234   HG22  ILE  36          2HG2      ILE  36  13.493   7.203  -2.176
  235   HG23  ILE  36          3HG2      ILE  36  14.882   6.492  -1.355
  236   HD11  ILE  36          3HD1      ILE  36  15.959   2.800  -1.791
  237   HD12  ILE  36          1HD1      ILE  36  16.269   4.418  -2.420
  238   HD13  ILE  36          2HD1      ILE  36  16.192   4.151  -0.680
  239    H    GLY  37           H        GLY  37  10.270   6.435  -3.533
  240    HA2  GLY  37           1HA      GLY  37   9.946   7.980  -5.313
  241    HA3  GLY  37           2HA      GLY  37  11.288   7.237  -6.162
  242    H    SER  38           H        SER  38   8.528   5.572  -4.676
  243    HA   SER  38           HA       SER  38   7.954   4.276  -7.202
  244    HB2  SER  38           1HB      SER  38   5.978   3.376  -5.683
  245    HB3  SER  38           2HB      SER  38   7.626   2.774  -5.483
  246    HG   SER  38           HG       SER  38   6.097   4.007  -3.694
  247    H    GLN  39           H        GLN  39   7.211   7.216  -6.026
  248    HA   GLN  39           HA       GLN  39   5.665   8.821  -6.396
  249    HB2  GLN  39           1HB      GLN  39   5.738   7.298  -8.788
  250    HB3  GLN  39           2HB      GLN  39   4.052   7.686  -8.464
  251    HG2  GLN  39           1HG      GLN  39   4.687   9.497  -9.697
  252    HG3  GLN  39           2HG      GLN  39   4.996  10.088  -8.065
  253   HE21  GLN  39          1HE2      GLN  39   6.895  10.979  -7.740
  254   HE22  GLN  39          2HE2      GLN  39   8.333  10.696  -8.667
  255    H    CYS  40           H        CYS  40   4.496   8.757  -4.575
  256    HA   CYS  40           HA       CYS  40   2.227   6.912  -4.450
  257    HB2  CYS  40           1HB      CYS  40   4.161   7.455  -2.559
  258    HB3  CYS  40           2HB      CYS  40   2.810   8.447  -2.026
  259    H    GLY  41           H        GLY  41   0.823   8.085  -5.753
  260    HA2  GLY  41           1HA      GLY  41  -0.034  10.702  -4.715
  261    HA3  GLY  41           2HA      GLY  41  -0.483  10.010  -6.272
  262    H    ALA  42           H        ALA  42  -0.710   9.179  -2.830
  263    HA   ALA  42           HA       ALA  42  -3.542   8.603  -3.136
  264    HB1  ALA  42           1HB      ALA  42  -1.448   6.533  -2.660
  265    HB2  ALA  42           2HB      ALA  42  -3.026   6.352  -1.893
  266    HB3  ALA  42           3HB      ALA  42  -2.907   6.455  -3.649
  267    H    SER  43           H        SER  43  -3.750   7.157  -0.682
  268    HA   SER  43           HA       SER  43  -3.598   9.376   1.150
  269    HB2  SER  43           1HB      SER  43  -4.377   6.830   2.321
  270    HB3  SER  43           2HB      SER  43  -5.304   8.323   2.165
  271    HG   SER  43           HG       SER  43  -6.252   7.554   0.443
  272    H    VAL  44           H        VAL  44  -1.737   6.568   0.441
  273    HA   VAL  44           HA       VAL  44   0.135   5.631   1.318
  274    HB   VAL  44           HB       VAL  44   0.448   8.171   2.931
  275   HG11  VAL  44          1HG1      VAL  44   2.699   6.495   1.912
  276   HG12  VAL  44          2HG1      VAL  44   2.636   7.559   3.316
  277   HG13  VAL  44          3HG1      VAL  44   1.834   5.988   3.362
  278   HG21  VAL  44          3HG2      VAL  44   2.089   8.660   0.961
  279   HG22  VAL  44          1HG2      VAL  44   1.051   7.547   0.069
  280   HG23  VAL  44          2HG2      VAL  44   0.370   9.010   0.781
  281    H    LYS  45           H        LYS  45  -0.437   3.915   2.534
  282    HA   LYS  45           HA       LYS  45  -1.299   4.453   5.296
  283    HB2  LYS  45           1HB      LYS  45  -2.400   2.440   3.337
  284    HB3  LYS  45           2HB      LYS  45  -2.705   2.357   5.069
  285    HG2  LYS  45           1HG      LYS  45  -3.839   4.469   5.031
  286    HG3  LYS  45           2HG      LYS  45  -3.393   4.727   3.344
  287    HD2  LYS  45           1HD      LYS  45  -5.639   4.006   3.318
  288    HD3  LYS  45           2HD      LYS  45  -4.685   2.608   2.826
  289    HE2  LYS  45           2HE      LYS  45  -6.456   2.022   4.432
  290    HE3  LYS  45           1HE      LYS  45  -4.842   1.670   5.043
  291    HZ1  LYS  45           3HZ      LYS  45  -6.361   4.131   5.724
  292    HZ2  LYS  45           1HZ      LYS  45  -4.910   3.594   6.426
  293    HZ3  LYS  45           2HZ      LYS  45  -6.352   2.732   6.679
  294    H    CYS  46           H        CYS  46  -0.884   2.735   6.817
  295    HA   CYS  46           HA       CYS  46   1.549   1.233   6.103
  296    HB2  CYS  46           1HB      CYS  46   1.044   3.073   8.217
  297    HB3  CYS  46           2HB      CYS  46   1.242   1.479   8.935
  298    H    CYS  47           H        CYS  47   0.272  -0.517   5.368
  299    HA   CYS  47           HA       CYS  47  -1.415  -1.825   7.376
  300    HB2  CYS  47           1HB      CYS  47  -1.213  -2.690   4.505
  301    HB3  CYS  47           2HB      CYS  47  -2.544  -2.911   5.634
  302    H    LYS  48           H        LYS  48  -1.081  -3.920   8.039
  303    HA   LYS  48           HA       LYS  48   1.577  -4.998   7.501
  304    HB2  LYS  48           1HB      LYS  48   0.447  -4.707   9.842
  305    HB3  LYS  48           2HB      LYS  48  -0.400  -6.190   9.424
  306    HG2  LYS  48           1HG      LYS  48   2.217  -6.806   8.867
  307    HG3  LYS  48           2HG      LYS  48   2.344  -5.783  10.301
  308    HD2  LYS  48           1HD      LYS  48   1.570  -7.407  11.608
  309    HD3  LYS  48           2HD      LYS  48   0.171  -7.661  10.562
  310    HE2  LYS  48           2HE      LYS  48   1.081  -9.649  10.113
  311    HE3  LYS  48           1HE      LYS  48   2.218  -8.753   9.105
  312    HZ1  LYS  48           3HZ      LYS  48   3.854  -8.847  10.709
  313    HZ2  LYS  48           1HZ      LYS  48   3.115 -10.368  10.872
  314    HZ3  LYS  48           2HZ      LYS  48   2.763  -9.131  11.978
  315    H    ASP  49           H        ASP  49   0.577  -5.387   5.237
  316    HA   ASP  49           HA       ASP  49  -1.047  -7.811   5.158
  317    HB2  ASP  49           1HB      ASP  49  -1.228  -5.615   3.612
  318    HB3  ASP  49           2HB      ASP  49  -0.139  -6.580   2.618
  319    H    ASP  50           H        ASP  50  -0.326  -9.182   3.052
  320    HA   ASP  50           HA       ASP  50   2.216 -10.261   4.016
  321    HB2  ASP  50           1HB      ASP  50   0.248 -11.743   3.979
  322    HB3  ASP  50           2HB      ASP  50   0.127 -11.527   2.233
  323    H    VAL  51           H        VAL  51   4.031 -10.126   2.897
  324    HA   VAL  51           HA       VAL  51   3.964  -9.035   0.203
  325    HB   VAL  51           HB       VAL  51   5.591  -8.317   2.080
  326   HG11  VAL  51          1HG1      VAL  51   6.907  -9.891   2.914
  327   HG12  VAL  51          2HG1      VAL  51   6.454 -11.032   1.649
  328   HG13  VAL  51          3HG1      VAL  51   7.768  -9.891   1.374
  329   HG21  VAL  51          3HG2      VAL  51   5.643  -8.021  -0.586
  330   HG22  VAL  51          1HG2      VAL  51   6.856  -7.335   0.495
  331   HG23  VAL  51          2HG2      VAL  51   7.178  -8.853  -0.345
  332    H    THR  52           H        THR  52   3.973 -12.066   1.628
  333    HA   THR  52           HA       THR  52   5.517 -13.477  -0.350
  334    HB   THR  52           HB       THR  52   3.551 -15.025   1.202
  335    HG1  THR  52           1HG      THR  52   3.871 -13.701   2.886
  336   HG21  THR  52          3HG2      THR  52   5.810 -15.638  -0.092
  337   HG22  THR  52          1HG2      THR  52   5.221 -16.571   1.285
  338   HG23  THR  52          2HG2      THR  52   6.479 -15.353   1.514
  339    H    ASN  53           H        ASN  53   2.528 -12.035  -0.354
  340    HA   ASN  53           HA       ASN  53   1.113 -13.950  -1.959
  341    HB2  ASN  53           1HB      ASN  53   0.266 -11.927  -0.401
  342    HB3  ASN  53           2HB      ASN  53   0.278 -11.098  -1.955
  343   HD21  ASN  53          1HD2      ASN  53  -2.066 -11.306  -0.757
  344   HD22  ASN  53          2HD2      ASN  53  -3.067 -12.490  -1.530
  345    H    THR  54           H        THR  54   2.010 -10.580  -2.714
  346    HA   THR  54           HA       THR  54   3.186 -11.476  -5.225
  347    HB   THR  54           HB       THR  54   1.490  -9.135  -5.654
  348    HG1  THR  54           1HG      THR  54   0.156 -11.637  -5.361
  349   HG21  THR  54          3HG2      THR  54   2.774 -10.880  -7.239
  350   HG22  THR  54          1HG2      THR  54   1.358  -9.969  -7.765
  351   HG23  THR  54          2HG2      THR  54   1.180 -11.634  -7.215
  352    H    GLY  55           H        GLY  55   2.071  -8.262  -4.222
  353    HA2  GLY  55           1HA      GLY  55   3.239  -6.323  -3.790
  354    HA3  GLY  55           2HA      GLY  55   4.640  -7.321  -3.419
  355    H    ASN  56           H        ASN  56   2.974  -7.549  -6.459
  356    HA   ASN  56           HA       ASN  56   5.450  -6.727  -7.787
  357    HB2  ASN  56           1HB      ASN  56   4.131  -9.021  -8.089
  358    HB3  ASN  56           2HB      ASN  56   3.238  -8.063  -9.266
  359   HD21  ASN  56          1HD2      ASN  56   4.010  -9.414 -10.894
  360   HD22  ASN  56          2HD2      ASN  56   5.633  -9.273 -11.499
  361    H    SER  57           H        SER  57   2.492  -6.862  -9.591
  362    HA   SER  57           HA       SER  57   2.805  -4.121 -10.390
  363    HB2  SER  57           1HB      SER  57   0.384  -5.013 -11.414
  364    HB3  SER  57           2HB      SER  57   1.946  -5.102 -12.229
  365    HG   SER  57           HG       SER  57   0.504  -7.100 -10.885
  366    H    PHE  58           H        PHE  58   0.517  -5.995  -8.477
  367    HA   PHE  58           HA       PHE  58  -0.436  -3.566  -7.211
  368    HB2  PHE  58           1HB      PHE  58  -1.867  -4.589  -9.349
  369    HB3  PHE  58           2HB      PHE  58  -2.678  -5.292  -7.954
  370    HD1  PHE  58           1HD      PHE  58  -1.070  -1.969  -8.396
  371    HD2  PHE  58           2HD      PHE  58  -4.658  -4.142  -7.702
  372    HE1  PHE  58           1HE      PHE  58  -2.271   0.144  -8.035
  373    HE2  PHE  58           2HE      PHE  58  -5.871  -2.036  -7.341
  374    HZ   PHE  58           HZ       PHE  58  -4.679   0.118  -7.506
  375    H    LEU  59           H        LEU  59  -1.514  -3.956  -5.235
  376    HA   LEU  59           HA       LEU  59  -1.685  -6.741  -4.350
  377    HB2  LEU  59           1HB      LEU  59   0.205  -4.797  -3.392
  378    HB3  LEU  59           2HB      LEU  59  -0.903  -5.229  -2.103
  379    HG   LEU  59           HG       LEU  59   0.995  -7.022  -3.603
  380   HD11  LEU  59          1HD1      LEU  59   0.572  -6.752  -0.642
  381   HD12  LEU  59          2HD1      LEU  59   1.951  -7.439  -1.501
  382   HD13  LEU  59          3HD1      LEU  59   1.663  -5.698  -1.541
  383   HD21  LEU  59          3HD2      LEU  59   0.003  -8.920  -2.397
  384   HD22  LEU  59          1HD2      LEU  59  -1.286  -7.864  -1.815
  385   HD23  LEU  59          2HD2      LEU  59  -1.128  -8.194  -3.541
  386    H    ILE  60           H        ILE  60  -3.755  -7.025  -3.881
  387    HA   ILE  60           HA       ILE  60  -5.401  -4.852  -2.939
  388    HB   ILE  60           HB       ILE  60  -5.952  -7.767  -3.501
  389   HG12  ILE  60          2HG1      ILE  60  -7.766  -6.378  -4.918
  390   HG13  ILE  60          1HG1      ILE  60  -6.509  -5.153  -4.806
  391   HG21  ILE  60          1HG2      ILE  60  -7.798  -5.763  -2.213
  392   HG22  ILE  60          2HG2      ILE  60  -8.348  -7.255  -2.975
  393   HG23  ILE  60          3HG2      ILE  60  -7.283  -7.322  -1.570
  394   HD11  ILE  60          3HD1      ILE  60  -5.047  -7.287  -5.567
  395   HD12  ILE  60          1HD1      ILE  60  -6.586  -7.651  -6.346
  396   HD13  ILE  60          2HD1      ILE  60  -5.763  -6.124  -6.683
  397    H    ILE  61           H        ILE  61  -5.091  -4.203  -0.931
  398    HA   ILE  61           HA       ILE  61  -4.084  -6.051   1.060
  399    HB   ILE  61           HB       ILE  61  -4.364  -3.074   0.911
  400   HG12  ILE  61          2HG1      ILE  61  -2.086  -4.972   1.518
  401   HG13  ILE  61          1HG1      ILE  61  -2.351  -4.103   0.010
  402   HG21  ILE  61          1HG2      ILE  61  -5.170  -3.406   3.104
  403   HG22  ILE  61          2HG2      ILE  61  -3.999  -4.684   3.425
  404   HG23  ILE  61          3HG2      ILE  61  -3.460  -3.011   3.282
  405   HD11  ILE  61          3HD1      ILE  61  -1.806  -2.793   2.659
  406   HD12  ILE  61          1HD1      ILE  61  -0.588  -3.130   1.429
  407   HD13  ILE  61          2HD1      ILE  61  -1.906  -2.009   1.081
  408    H    ASN  62           H        ASN  62  -5.124  -6.780   2.799
  409    HA   ASN  62           HA       ASN  62  -8.005  -6.576   2.800
  410    HB2  ASN  62           1HB      ASN  62  -6.788  -8.713   3.259
  411    HB3  ASN  62           2HB      ASN  62  -6.214  -8.013   4.767
  412   HD21  ASN  62          1HD2      ASN  62  -7.277  -9.840   5.752
  413   HD22  ASN  62          2HD2      ASN  62  -8.984  -9.776   6.054
  414    H    ALA  63           H        ALA  63  -9.265  -5.514   4.235
  415    HA   ALA  63           HA       ALA  63  -8.097  -3.260   5.538
  416    HB1  ALA  63           1HB      ALA  63 -10.889  -3.854   6.184
  417    HB2  ALA  63           2HB      ALA  63 -10.163  -2.410   5.478
  418    HB3  ALA  63           3HB      ALA  63 -10.535  -3.797   4.456
  419    H    ALA  64           H        ALA  64  -8.393  -6.407   6.534
  420    HA   ALA  64           HA       ALA  64  -9.039  -5.929   9.297
  421    HB1  ALA  64           1HB      ALA  64  -9.667  -8.055   8.740
  422    HB2  ALA  64           2HB      ALA  64  -8.291  -8.299   7.663
  423    HB3  ALA  64           3HB      ALA  64  -8.068  -8.384   9.409
  424    H    ASN  65           H        ASN  65  -6.099  -6.614   7.437
  425    HA   ASN  65           HA       ASN  65  -4.478  -6.399   9.855
  426    HB2  ASN  65           1HB      ASN  65  -2.610  -6.962   8.142
  427    HB3  ASN  65           2HB      ASN  65  -3.756  -8.219   8.600
  428   HD21  ASN  65          1HD2      ASN  65  -2.474  -6.354   6.082
  429   HD22  ASN  65          2HD2      ASN  65  -3.456  -6.971   4.794
  430    H    CYS  66           H        CYS  66  -5.527  -4.404   7.323
  431    HA   CYS  66           HA       CYS  66  -3.305  -2.557   7.654
  432    HB2  CYS  66           1HB      CYS  66  -4.439  -2.803   5.437
  433    HB3  CYS  66           2HB      CYS  66  -5.896  -2.121   6.153
  434    H    VAL  67           H        VAL  67  -3.236  -1.534   9.531
  435    HA   VAL  67           HA       VAL  67  -5.610  -1.095  11.083
  436    HB   VAL  67           HB       VAL  67  -3.883   0.108  12.623
  437   HG11  VAL  67          1HG1      VAL  67  -2.950  -2.385  13.071
  438   HG12  VAL  67          2HG1      VAL  67  -4.539  -1.819  13.583
  439   HG13  VAL  67          3HG1      VAL  67  -4.371  -2.744  12.091
  440   HG21  VAL  67          3HG2      VAL  67  -1.952  -1.565  11.039
  441   HG22  VAL  67          1HG2      VAL  67  -2.177   0.157  10.726
  442   HG23  VAL  67          2HG2      VAL  67  -1.610  -0.387  12.305
  443    H    ALA  68           H        ALA  68  -3.201   1.013   9.504
  444    HA   ALA  68           HA       ALA  68  -5.201   3.035   9.092
  445    HB1  ALA  68           1HB      ALA  68  -2.815   3.932  10.673
  446    HB2  ALA  68           2HB      ALA  68  -4.358   4.749  10.424
  447    HB3  ALA  68           3HB      ALA  68  -4.266   3.342  11.483
  Start of MODEL   18
    1    H1   SER   1           1H       SER   1  -3.119  15.329  -4.864
    2    H2   SER   1           2H       SER   1  -1.591  15.547  -5.559
    3    H3   SER   1           3H       SER   1  -1.723  14.933  -3.985
    4    HA   SER   1           HA       SER   1  -2.962  13.016  -4.934
    5    HB2  SER   1           1HB      SER   1  -2.036  14.392  -7.449
    6    HB3  SER   1           2HB      SER   1  -2.376  12.662  -7.417
    7    HG   SER   1           HG       SER   1  -4.395  13.161  -7.623
    8    H    ALA   2           H        ALA   2  -0.016  14.052  -6.673
    9    HA   ALA   2           HA       ALA   2   1.269  11.565  -5.961
   10    HB1  ALA   2           1HB      ALA   2   2.198  13.931  -7.580
   11    HB2  ALA   2           2HB      ALA   2   3.160  12.478  -7.312
   12    HB3  ALA   2           3HB      ALA   2   1.629  12.374  -8.182
   13    H    THR   3           H        THR   3   2.217  11.306  -4.090
   14    HA   THR   3           HA       THR   3   3.594  13.588  -2.825
   15    HB   THR   3           HB       THR   3   3.093  11.309  -1.082
   16    HG1  THR   3           1HG      THR   3   1.181  11.342  -2.573
   17   HG21  THR   3          3HG2      THR   3   3.578  13.949  -0.769
   18   HG22  THR   3          1HG2      THR   3   2.854  12.926   0.472
   19   HG23  THR   3          2HG2      THR   3   1.827  13.916  -0.564
   20    H    THR   4           H        THR   4   5.727  13.362  -2.294
   21    HA   THR   4           HA       THR   4   7.053  10.948  -3.275
   22    HB   THR   4           HB       THR   4   8.759  13.049  -2.139
   23    HG1  THR   4           1HG      THR   4   6.814  13.649  -4.087
   24   HG21  THR   4          3HG2      THR   4   8.834  11.036  -4.151
   25   HG22  THR   4          1HG2      THR   4  10.157  12.027  -3.538
   26   HG23  THR   4          2HG2      THR   4   9.197  12.588  -4.906
   27    H    ILE   5           H        ILE   5   7.562   9.359  -1.914
   28    HA   ILE   5           HA       ILE   5   7.615   9.957   0.951
   29    HB   ILE   5           HB       ILE   5   7.224   7.656   1.387
   30   HG12  ILE   5          2HG1      ILE   5   7.129   6.833  -1.463
   31   HG13  ILE   5          1HG1      ILE   5   8.723   7.042  -0.743
   32   HG21  ILE   5          1HG2      ILE   5   5.235   7.280  -0.365
   33   HG22  ILE   5          2HG2      ILE   5   5.133   8.411   0.985
   34   HG23  ILE   5          3HG2      ILE   5   5.541   8.996  -0.629
   35   HD11  ILE   5          3HD1      ILE   5   6.774   4.926  -0.384
   36   HD12  ILE   5          1HD1      ILE   5   8.506   4.944  -0.046
   37   HD13  ILE   5          2HD1      ILE   5   7.368   5.574   1.144
   38    H    GLY   6           H        GLY   6   9.194   8.700   2.280
   39    HA2  GLY   6           1HA      GLY   6  11.823   9.068   1.041
   40    HA3  GLY   6           2HA      GLY   6  11.489   9.079   2.764
   41    HA   PRO   7           HA       PRO   7  13.247   4.941   1.826
   42    HB2  PRO   7           1HB      PRO   7  15.011   4.865   3.863
   43    HB3  PRO   7           2HB      PRO   7  15.360   5.698   2.344
   44    HG2  PRO   7           1HG      PRO   7  14.495   6.828   4.970
   45    HG3  PRO   7           2HG      PRO   7  15.685   7.454   3.817
   46    HD2  PRO   7           1HD      PRO   7  13.108   8.384   4.028
   47    HD3  PRO   7           2HD      PRO   7  14.091   8.496   2.556
   48    H    ASN   8           H        ASN   8  12.101   6.349   4.829
   49    HA   ASN   8           HA       ASN   8  10.686   3.887   5.404
   50    HB2  ASN   8           1HB      ASN   8  11.377   3.903   7.798
   51    HB3  ASN   8           2HB      ASN   8  12.694   3.528   6.697
   52   HD21  ASN   8          1HD2      ASN   8  11.977   5.119   9.407
   53   HD22  ASN   8          2HD2      ASN   8  13.154   6.386   9.366
   54    H    THR   9           H        THR   9   8.885   5.090   4.801
   55    HA   THR   9           HA       THR   9   8.207   7.525   6.167
   56    HB   THR   9           HB       THR   9   6.091   6.002   4.754
   57    HG1  THR   9           1HG      THR   9   7.108   5.944   2.871
   58   HG21  THR   9          3HG2      THR   9   7.084   8.851   4.744
   59   HG22  THR   9          1HG2      THR   9   5.584   8.237   5.439
   60   HG23  THR   9          2HG2      THR   9   5.796   8.271   3.688
   61    H    CYS  10           H        CYS  10   7.509   4.133   6.543
   62    HA   CYS  10           HA       CYS  10   6.251   4.765   9.107
   63    HB2  CYS  10           1HB      CYS  10   4.910   3.547   6.864
   64    HB3  CYS  10           2HB      CYS  10   4.995   2.403   8.201
   65    H    SER  11           H        SER  11   6.393   1.538   7.769
   66    HA   SER  11           HA       SER  11   7.581  -0.306   8.296
   67    HB2  SER  11           1HB      SER  11   9.930   1.401   9.061
   68    HB3  SER  11           2HB      SER  11   9.906  -0.141   8.206
   69    HG   SER  11           HG       SER  11  10.310   1.417   6.678
   70    H    ILE  12           H        ILE  12   5.916   0.326  10.267
   71    HA   ILE  12           HA       ILE  12   7.022   0.651  12.834
   72    HB   ILE  12           HB       ILE  12   4.473  -0.715  11.947
   73   HG12  ILE  12          2HG1      ILE  12   4.031   1.650  13.455
   74   HG13  ILE  12          1HG1      ILE  12   5.267   2.019  12.256
   75   HG21  ILE  12          1HG2      ILE  12   3.763  -0.952  14.138
   76   HG22  ILE  12          2HG2      ILE  12   5.460  -1.418  14.235
   77   HG23  ILE  12          3HG2      ILE  12   4.957   0.189  14.757
   78   HD11  ILE  12          3HD1      ILE  12   3.153   0.535  11.031
   79   HD12  ILE  12          1HD1      ILE  12   2.494   1.922  11.899
   80   HD13  ILE  12          2HD1      ILE  12   3.739   2.160  10.671
   81    H    ASP  13           H        ASP  13   5.663  -2.371  11.542
   82    HA   ASP  13           HA       ASP  13   8.016  -3.795  12.597
   83    HB2  ASP  13           1HB      ASP  13   6.036  -4.576  13.755
   84    HB3  ASP  13           2HB      ASP  13   5.177  -4.792  12.231
   85    H    ASP  14           H        ASP  14   5.483  -4.767  10.323
   86    HA   ASP  14           HA       ASP  14   7.436  -4.501   8.141
   87    HB2  ASP  14           1HB      ASP  14   6.554  -6.921   8.967
   88    HB3  ASP  14           2HB      ASP  14   5.289  -6.519   7.808
   89    H    TYR  15           H        TYR  15   5.352  -2.785   9.314
   90    HA   TYR  15           HA       TYR  15   3.228  -2.630   7.375
   91    HB2  TYR  15           1HB      TYR  15   3.987  -1.188   9.869
   92    HB3  TYR  15           2HB      TYR  15   2.995  -0.314   8.710
   93    HD1  TYR  15           1HD      TYR  15   2.276  -3.741   8.424
   94    HD2  TYR  15           2HD      TYR  15   1.535  -0.375  10.912
   95    HE1  TYR  15           1HE      TYR  15   0.266  -4.846   9.309
   96    HE2  TYR  15           2HE      TYR  15  -0.476  -1.472  11.804
   97    HH   TYR  15           HH       TYR  15  -1.090  -4.529  11.734
   98    H    LYS  16           H        LYS  16   4.317  -2.325   5.436
   99    HA   LYS  16           HA       LYS  16   6.247  -0.220   5.095
  100    HB2  LYS  16           1HB      LYS  16   4.869  -1.815   2.930
  101    HB3  LYS  16           2HB      LYS  16   6.403  -0.966   2.820
  102    HG2  LYS  16           1HG      LYS  16   7.544  -2.589   3.961
  103    HG3  LYS  16           2HG      LYS  16   6.106  -3.151   4.817
  104    HD2  LYS  16           1HD      LYS  16   5.431  -3.663   2.231
  105    HD3  LYS  16           2HD      LYS  16   7.175  -3.939   2.198
  106    HE2  LYS  16           2HE      LYS  16   5.625  -5.108   4.444
  107    HE3  LYS  16           1HE      LYS  16   5.448  -5.847   2.852
  108    HZ1  LYS  16           3HZ      LYS  16   7.790  -5.732   4.606
  109    HZ2  LYS  16           1HZ      LYS  16   8.059  -5.706   2.929
  110    HZ3  LYS  16           2HZ      LYS  16   7.225  -7.003   3.638
  111    HA   PRO  17           HA       PRO  17   3.424   2.905   3.659
  112    HB2  PRO  17           1HB      PRO  17   5.302   3.932   1.714
  113    HB3  PRO  17           2HB      PRO  17   4.885   4.600   3.295
  114    HG2  PRO  17           1HG      PRO  17   7.329   3.528   2.688
  115    HG3  PRO  17           2HG      PRO  17   6.652   3.583   4.325
  116    HD2  PRO  17           1HD      PRO  17   6.734   1.305   2.382
  117    HD3  PRO  17           2HD      PRO  17   7.000   1.301   4.140
  118    H    TYR  18           H        TYR  18   2.012   1.410   2.624
  119    HA   TYR  18           HA       TYR  18   2.454   0.734  -0.148
  120    HB2  TYR  18           1HB      TYR  18   0.393   0.100   1.925
  121    HB3  TYR  18           2HB      TYR  18   0.015  -0.164   0.231
  122    HD1  TYR  18           2HD      TYR  18   2.413  -1.072   2.900
  123    HD2  TYR  18           1HD      TYR  18   0.740  -2.110  -0.868
  124    HE1  TYR  18           2HE      TYR  18   3.509  -3.262   3.025
  125    HE2  TYR  18           1HE      TYR  18   1.831  -4.311  -0.753
  126    HH   TYR  18           HH       TYR  18   2.827  -5.734   1.789
  127    H    CYS  19           H        CYS  19   1.447   1.608  -1.883
  128    HA   CYS  19           HA       CYS  19  -0.070   4.059  -1.531
  129    HB2  CYS  19           1HB      CYS  19   1.631   3.043  -3.528
  130    HB3  CYS  19           2HB      CYS  19   0.028   3.080  -4.255
  131    H    CYS  20           H        CYS  20  -2.099   3.575  -0.777
  132    HA   CYS  20           HA       CYS  20  -3.471   1.280  -1.962
  133    HB2  CYS  20           1HB      CYS  20  -3.545   2.605   0.666
  134    HB3  CYS  20           2HB      CYS  20  -5.113   2.081   0.052
  135    H    GLN  21           H        GLN  21  -4.813   1.603  -3.539
  136    HA   GLN  21           HA       GLN  21  -6.109   4.071  -4.083
  137    HB2  GLN  21           1HB      GLN  21  -6.075   2.836  -6.003
  138    HB3  GLN  21           2HB      GLN  21  -6.162   1.307  -5.145
  139    HG2  GLN  21           1HG      GLN  21  -8.418   1.229  -5.222
  140    HG3  GLN  21           2HG      GLN  21  -8.595   2.980  -5.130
  141   HE21  GLN  21          1HE2      GLN  21  -9.061   4.042  -6.939
  142   HE22  GLN  21          2HE2      GLN  21  -8.999   3.380  -8.541
  143    H    SER  22           H        SER  22  -7.504   4.922  -2.721
  144    HA   SER  22           HA       SER  22  -9.014   3.278  -0.896
  145    HB2  SER  22           1HB      SER  22  -9.383   6.244  -1.271
  146    HB3  SER  22           2HB      SER  22  -9.590   5.280   0.194
  147    HG   SER  22           HG       SER  22  -7.074   5.055  -0.786
  148    H    MET  23           H        MET  23 -10.615   2.163  -1.764
  149    HA   MET  23           HA       MET  23 -12.069   3.138  -4.052
  150    HB2  MET  23           1HB      MET  23 -12.581   0.661  -2.397
  151    HB3  MET  23           2HB      MET  23 -13.207   0.993  -4.006
  152    HG2  MET  23           1HG      MET  23 -10.794   1.070  -4.771
  153    HG3  MET  23           2HG      MET  23 -10.384   0.384  -3.201
  154    HE1  MET  23           3HE      MET  23 -11.031  -0.453  -6.793
  155    HE2  MET  23           1HE      MET  23  -9.568  -0.900  -5.916
  156    HE3  MET  23           2HE      MET  23 -10.624  -2.154  -6.567
  157    H    SER  24           H        SER  24 -13.930   4.178  -4.044
  158    HA   SER  24           HA       SER  24 -15.086   4.979  -1.535
  159    HB2  SER  24           1HB      SER  24 -16.572   5.773  -3.893
  160    HB3  SER  24           2HB      SER  24 -15.705   6.777  -2.730
  161    HG   SER  24           HG       SER  24 -14.139   6.959  -4.116
  162    H    GLY  25           H        GLY  25 -15.738   2.635  -3.992
  163    HA2  GLY  25           1HA      GLY  25 -18.401   2.137  -2.801
  164    HA3  GLY  25           2HA      GLY  25 -18.018   1.842  -4.489
  165    H    SER  26           H        SER  26 -15.566   1.012  -2.247
  166    HA   SER  26           HA       SER  26 -16.502  -1.668  -1.754
  167    HB2  SER  26           1HB      SER  26 -14.220  -1.160  -3.678
  168    HB3  SER  26           2HB      SER  26 -14.476  -2.709  -2.873
  169    HG   SER  26           HG       SER  26 -16.707  -1.652  -4.114
  170    H    ALA  27           H        ALA  27 -15.473  -2.600  -0.033
  171    HA   ALA  27           HA       ALA  27 -13.542  -0.900   1.365
  172    HB1  ALA  27           1HB      ALA  27 -15.333  -1.552   2.756
  173    HB2  ALA  27           2HB      ALA  27 -15.221  -3.237   2.242
  174    HB3  ALA  27           3HB      ALA  27 -13.959  -2.538   3.253
  175    H    SER  28           H        SER  28 -12.275  -1.833  -0.717
  176    HA   SER  28           HA       SER  28 -10.590  -4.006   0.330
  177    HB2  SER  28           1HB      SER  28 -10.609  -3.786  -2.586
  178    HB3  SER  28           2HB      SER  28 -10.797  -5.213  -1.567
  179    HG   SER  28           HG       SER  28 -13.009  -4.205  -1.178
  180    H    LEU  29           H        LEU  29  -8.472  -3.494   0.456
  181    HA   LEU  29           HA       LEU  29  -7.685  -0.853  -0.444
  182    HB2  LEU  29           1HB      LEU  29  -6.354  -2.933   1.274
  183    HB3  LEU  29           2HB      LEU  29  -5.543  -1.457   0.784
  184    HG   LEU  29           HG       LEU  29  -8.087  -1.588   2.399
  185   HD11  LEU  29          1HD1      LEU  29  -6.768  -0.958   4.288
  186   HD12  LEU  29          2HD1      LEU  29  -6.044  -2.399   3.574
  187   HD13  LEU  29          3HD1      LEU  29  -5.318  -0.817   3.294
  188   HD21  LEU  29          3HD2      LEU  29  -7.214   0.882   2.781
  189   HD22  LEU  29          1HD2      LEU  29  -6.529   0.620   1.177
  190   HD23  LEU  29          2HD2      LEU  29  -8.267   0.463   1.430
  191    H    GLY  30           H        GLY  30  -7.574  -1.145  -2.689
  192    HA2  GLY  30           1HA      GLY  30  -5.815  -3.054  -3.906
  193    HA3  GLY  30           2HA      GLY  30  -6.530  -1.649  -4.691
  194    H    CYS  31           H        CYS  31  -3.732  -2.942  -3.217
  195    HA   CYS  31           HA       CYS  31  -2.539  -0.261  -3.000
  196    HB2  CYS  31           1HB      CYS  31  -3.073  -2.116  -0.991
  197    HB3  CYS  31           2HB      CYS  31  -1.344  -2.262  -1.285
  198    H    VAL  32           H        VAL  32  -0.413   0.005  -3.516
  199    HA   VAL  32           HA       VAL  32   1.109  -2.344  -4.440
  200    HB   VAL  32           HB       VAL  32   2.011   0.187  -5.597
  201   HG11  VAL  32          1HG1      VAL  32   2.422  -1.127  -7.491
  202   HG12  VAL  32          2HG1      VAL  32   2.709  -2.204  -6.126
  203   HG13  VAL  32          3HG1      VAL  32   1.204  -2.318  -7.038
  204   HG21  VAL  32          3HG2      VAL  32  -0.332   0.738  -5.726
  205   HG22  VAL  32          1HG2      VAL  32   0.239   0.293  -7.335
  206   HG23  VAL  32          2HG2      VAL  32  -0.709  -0.854  -6.390
  207    H    VAL  33           H        VAL  33   3.281  -2.379  -3.781
  208    HA   VAL  33           HA       VAL  33   3.778  -1.027  -1.333
  209    HB   VAL  33           HB       VAL  33   4.668  -3.226  -1.565
  210   HG11  VAL  33          1HG1      VAL  33   5.420  -2.324  -4.198
  211   HG12  VAL  33          2HG1      VAL  33   6.780  -3.090  -3.378
  212   HG13  VAL  33          3HG1      VAL  33   5.260  -3.964  -3.571
  213   HG21  VAL  33          3HG2      VAL  33   7.255  -1.849  -1.799
  214   HG22  VAL  33          1HG2      VAL  33   6.136  -1.154  -0.627
  215   HG23  VAL  33          2HG2      VAL  33   6.608  -2.849  -0.497
  216    H    GLY  34           H        GLY  34   4.687   0.866  -0.952
  217    HA2  GLY  34           1HA      GLY  34   6.058   2.231  -3.167
  218    HA3  GLY  34           2HA      GLY  34   5.305   3.024  -1.789
  219    H    VAL  35           H        VAL  35   8.147   2.789  -3.030
  220    HA   VAL  35           HA       VAL  35   9.512   2.353  -0.455
  221    HB   VAL  35           HB       VAL  35  11.516   1.692  -2.038
  222   HG11  VAL  35          1HG1      VAL  35  10.991  -0.645  -1.661
  223   HG12  VAL  35          2HG1      VAL  35  10.546   0.314  -0.250
  224   HG13  VAL  35          3HG1      VAL  35   9.300  -0.238  -1.370
  225   HG21  VAL  35          3HG2      VAL  35  10.916   1.572  -4.187
  226   HG22  VAL  35          1HG2      VAL  35  10.088   0.078  -3.746
  227   HG23  VAL  35          2HG2      VAL  35   9.196   1.598  -3.795
  228    H    ILE  36           H        ILE  36  12.042   3.055  -1.168
  229    HA   ILE  36           HA       ILE  36  12.004   5.815  -0.857
  230    HB   ILE  36           HB       ILE  36  14.387   4.494  -2.089
  231   HG12  ILE  36          2HG1      ILE  36  14.639   4.102   0.663
  232   HG13  ILE  36          1HG1      ILE  36  12.996   3.585   0.298
  233   HG21  ILE  36          1HG2      ILE  36  15.116   6.548  -1.545
  234   HG22  ILE  36          2HG2      ILE  36  13.789   6.823  -0.415
  235   HG23  ILE  36          3HG2      ILE  36  15.204   5.904   0.094
  236   HD11  ILE  36          3HD1      ILE  36  13.695   1.849  -1.027
  237   HD12  ILE  36          1HD1      ILE  36  15.238   2.617  -1.401
  238   HD13  ILE  36          2HD1      ILE  36  14.974   1.899   0.186
  239    H    GLY  37           H        GLY  37  11.379   7.308  -2.260
  240    HA2  GLY  37           1HA      GLY  37  11.882   8.672  -4.124
  241    HA3  GLY  37           2HA      GLY  37  12.565   7.273  -4.935
  242    H    SER  38           H        SER  38   9.677   6.309  -3.616
  243    HA   SER  38           HA       SER  38   8.447   6.332  -6.231
  244    HB2  SER  38           1HB      SER  38   7.133   5.342  -3.707
  245    HB3  SER  38           2HB      SER  38   6.873   4.803  -5.367
  246    HG   SER  38           HG       SER  38   9.169   4.386  -3.750
  247    H    GLN  39           H        GLN  39   7.031   7.768  -6.950
  248    HA   GLN  39           HA       GLN  39   5.994   9.785  -5.137
  249    HB2  GLN  39           1HB      GLN  39   6.469   9.585  -8.009
  250    HB3  GLN  39           2HB      GLN  39   4.894  10.275  -7.635
  251    HG2  GLN  39           1HG      GLN  39   6.145  11.829  -6.046
  252    HG3  GLN  39           2HG      GLN  39   7.608  11.288  -6.866
  253   HE21  GLN  39          1HE2      GLN  39   5.522  13.726  -6.755
  254   HE22  GLN  39          2HE2      GLN  39   5.557  14.260  -8.403
  255    H    CYS  40           H        CYS  40   4.469   8.848  -3.922
  256    HA   CYS  40           HA       CYS  40   2.550   6.987  -4.923
  257    HB2  CYS  40           1HB      CYS  40   3.446   7.914  -2.384
  258    HB3  CYS  40           2HB      CYS  40   1.700   8.134  -2.453
  259    H    GLY  41           H        GLY  41   1.087   7.686  -6.349
  260    HA2  GLY  41           1HA      GLY  41  -0.141  10.311  -6.072
  261    HA3  GLY  41           2HA      GLY  41  -0.444   9.142  -7.352
  262    H    ALA  42           H        ALA  42  -0.641   7.334  -4.714
  263    HA   ALA  42           HA       ALA  42  -3.519   7.835  -4.355
  264    HB1  ALA  42           1HB      ALA  42  -2.297   5.527  -5.200
  265    HB2  ALA  42           2HB      ALA  42  -2.531   5.230  -3.477
  266    HB3  ALA  42           3HB      ALA  42  -3.912   5.633  -4.499
  267    H    SER  43           H        SER  43  -4.225   6.811  -2.124
  268    HA   SER  43           HA       SER  43  -2.961   8.395  -0.132
  269    HB2  SER  43           1HB      SER  43  -4.804   6.229   0.703
  270    HB3  SER  43           2HB      SER  43  -4.815   7.942   1.119
  271    HG   SER  43           HG       SER  43  -6.545   7.051  -0.341
  272    H    VAL  44           H        VAL  44  -1.150   7.906   0.870
  273    HA   VAL  44           HA       VAL  44   0.022   5.316   0.842
  274    HB   VAL  44           HB       VAL  44   0.844   7.512   2.731
  275   HG11  VAL  44          1HG1      VAL  44   2.886   6.029   1.279
  276   HG12  VAL  44          2HG1      VAL  44   2.718   6.335   3.007
  277   HG13  VAL  44          3HG1      VAL  44   1.843   4.999   2.261
  278   HG21  VAL  44          3HG2      VAL  44   0.522   7.940   0.020
  279   HG22  VAL  44          1HG2      VAL  44   1.545   8.875   1.109
  280   HG23  VAL  44          2HG2      VAL  44   2.233   7.545   0.180
  281    H    LYS  45           H        LYS  45  -0.385   3.671   2.137
  282    HA   LYS  45           HA       LYS  45  -1.392   4.199   4.852
  283    HB2  LYS  45           1HB      LYS  45  -2.525   2.450   2.719
  284    HB3  LYS  45           2HB      LYS  45  -2.609   1.879   4.379
  285    HG2  LYS  45           1HG      LYS  45  -3.465   4.603   4.286
  286    HG3  LYS  45           2HG      LYS  45  -4.331   3.672   3.063
  287    HD2  LYS  45           1HD      LYS  45  -4.125   2.254   5.589
  288    HD3  LYS  45           2HD      LYS  45  -4.940   3.811   5.760
  289    HE2  LYS  45           2HE      LYS  45  -6.230   3.004   3.619
  290    HE3  LYS  45           1HE      LYS  45  -5.726   1.408   4.175
  291    HZ1  LYS  45           3HZ      LYS  45  -6.698   2.143   6.408
  292    HZ2  LYS  45           1HZ      LYS  45  -7.781   1.724   5.169
  293    HZ3  LYS  45           2HZ      LYS  45  -7.490   3.357   5.526
  294    H    CYS  46           H        CYS  46  -0.423   3.060   6.425
  295    HA   CYS  46           HA       CYS  46   1.838   1.405   5.645
  296    HB2  CYS  46           1HB      CYS  46   1.028   2.078   8.466
  297    HB3  CYS  46           2HB      CYS  46   2.630   1.681   7.854
  298    H    CYS  47           H        CYS  47   0.728  -0.426   4.873
  299    HA   CYS  47           HA       CYS  47  -0.521  -2.058   6.985
  300    HB2  CYS  47           1HB      CYS  47  -1.056  -2.642   4.112
  301    HB3  CYS  47           2HB      CYS  47  -2.100  -2.854   5.511
  302    H    LYS  48           H        LYS  48  -0.287  -4.462   6.566
  303    HA   LYS  48           HA       LYS  48   2.294  -5.047   5.258
  304    HB2  LYS  48           1HB      LYS  48   2.553  -5.172   7.693
  305    HB3  LYS  48           2HB      LYS  48   1.184  -6.272   7.796
  306    HG2  LYS  48           1HG      LYS  48   2.744  -7.632   6.076
  307    HG3  LYS  48           2HG      LYS  48   3.977  -6.789   7.014
  308    HD2  LYS  48           1HD      LYS  48   3.596  -8.031   8.848
  309    HD3  LYS  48           2HD      LYS  48   1.846  -7.976   8.634
  310    HE2  LYS  48           2HE      LYS  48   2.462  -9.591   6.597
  311    HE3  LYS  48           1HE      LYS  48   3.824  -9.956   7.655
  312    HZ1  LYS  48           3HZ      LYS  48   1.070  -9.980   8.717
  313    HZ2  LYS  48           1HZ      LYS  48   2.445 -10.797   9.285
  314    HZ3  LYS  48           2HZ      LYS  48   1.663 -11.326   7.871
  315    H    ASP  49           H        ASP  49  -0.970  -6.004   5.960
  316    HA   ASP  49           HA       ASP  49  -2.270  -7.765   5.396
  317    HB2  ASP  49           1HB      ASP  49  -1.539  -6.801   3.068
  318    HB3  ASP  49           2HB      ASP  49  -0.564  -8.264   2.966
  319    H    ASP  50           H        ASP  50  -1.088 -10.083   3.750
  320    HA   ASP  50           HA       ASP  50   0.862 -11.077   5.718
  321    HB2  ASP  50           1HB      ASP  50  -1.752 -12.072   5.451
  322    HB3  ASP  50           2HB      ASP  50  -0.712 -13.249   4.655
  323    H    VAL  51           H        VAL  51   1.001  -9.867   3.081
  324    HA   VAL  51           HA       VAL  51   1.768 -10.140   0.960
  325    HB   VAL  51           HB       VAL  51   3.661 -12.220   2.015
  326   HG11  VAL  51          1HG1      VAL  51   4.524 -11.858  -0.005
  327   HG12  VAL  51          2HG1      VAL  51   3.462 -10.476  -0.285
  328   HG13  VAL  51          3HG1      VAL  51   4.994 -10.256   0.565
  329   HG21  VAL  51          3HG2      VAL  51   5.098 -10.318   2.804
  330   HG22  VAL  51          1HG2      VAL  51   3.689  -9.269   2.641
  331   HG23  VAL  51          2HG2      VAL  51   3.661 -10.612   3.784
  332    H    THR  52           H        THR  52  -0.425 -11.316   0.788
  333    HA   THR  52           HA       THR  52  -0.286 -14.124   0.236
  334    HB   THR  52           HB       THR  52  -2.523 -12.444  -0.800
  335    HG1  THR  52           1HG      THR  52  -2.697 -11.505   1.106
  336   HG21  THR  52          3HG2      THR  52  -2.308 -15.026  -0.802
  337   HG22  THR  52          1HG2      THR  52  -3.837 -14.306  -0.297
  338   HG23  THR  52          2HG2      THR  52  -2.701 -14.900   0.913
  339    H    ASN  53           H        ASN  53   0.248 -15.054  -1.645
  340    HA   ASN  53           HA       ASN  53   1.363 -13.347  -3.671
  341    HB2  ASN  53           1HB      ASN  53   2.070 -15.785  -2.731
  342    HB3  ASN  53           2HB      ASN  53   1.226 -16.244  -4.207
  343   HD21  ASN  53          1HD2      ASN  53   3.910 -16.721  -3.900
  344   HD22  ASN  53          2HD2      ASN  53   4.808 -15.697  -4.966
  345    H    THR  54           H        THR  54  -1.171 -12.739  -3.724
  346    HA   THR  54           HA       THR  54  -2.091 -13.879  -6.280
  347    HB   THR  54           HB       THR  54  -4.114 -12.358  -4.837
  348    HG1  THR  54           1HG      THR  54  -3.212 -14.782  -3.622
  349   HG21  THR  54          3HG2      THR  54  -5.486 -14.281  -5.355
  350   HG22  THR  54          1HG2      THR  54  -4.058 -15.238  -5.740
  351   HG23  THR  54          2HG2      THR  54  -4.505 -13.872  -6.762
  352    H    GLY  55           H        GLY  55  -0.234 -11.628  -5.367
  353    HA2  GLY  55           1HA      GLY  55  -1.420  -9.535  -7.055
  354    HA3  GLY  55           2HA      GLY  55  -0.758  -9.124  -5.477
  355    H    ASN  56           H        ASN  56  -0.097  -9.060  -8.654
  356    HA   ASN  56           HA       ASN  56   2.804  -9.341  -8.218
  357    HB2  ASN  56           1HB      ASN  56   1.671 -10.705 -10.067
  358    HB3  ASN  56           2HB      ASN  56   1.436  -9.174 -10.906
  359   HD21  ASN  56          1HD2      ASN  56   2.819  -9.202 -12.549
  360   HD22  ASN  56          2HD2      ASN  56   4.516  -9.527 -12.421
  361    H    SER  57           H        SER  57   0.367  -7.341  -9.846
  362    HA   SER  57           HA       SER  57   2.156  -5.026  -9.474
  363    HB2  SER  57           1HB      SER  57  -0.021  -4.845 -11.477
  364    HB3  SER  57           2HB      SER  57   1.631  -4.230 -11.545
  365    HG   SER  57           HG       SER  57   0.603  -6.675 -12.357
  366    H    PHE  58           H        PHE  58  -0.706  -6.471  -8.525
  367    HA   PHE  58           HA       PHE  58  -1.514  -4.048  -7.121
  368    HB2  PHE  58           1HB      PHE  58  -2.852  -4.732  -9.417
  369    HB3  PHE  58           2HB      PHE  58  -3.807  -5.551  -8.187
  370    HD1  PHE  58           2HD      PHE  58  -2.106  -2.236  -8.472
  371    HD2  PHE  58           1HD      PHE  58  -5.665  -4.381  -7.558
  372    HE1  PHE  58           2HE      PHE  58  -3.246  -0.120  -7.961
  373    HE2  PHE  58           1HE      PHE  58  -6.813  -2.270  -7.045
  374    HZ   PHE  58           HZ       PHE  58  -5.601  -0.133  -7.246
  375    H    LEU  59           H        LEU  59  -1.660  -4.578  -5.053
  376    HA   LEU  59           HA       LEU  59  -2.497  -7.321  -4.361
  377    HB2  LEU  59           1HB      LEU  59  -0.439  -5.493  -3.197
  378    HB3  LEU  59           2HB      LEU  59  -1.255  -6.628  -2.139
  379    HG   LEU  59           HG       LEU  59  -0.302  -7.979  -4.505
  380   HD11  LEU  59          1HD1      LEU  59   1.590  -6.837  -4.860
  381   HD12  LEU  59          2HD1      LEU  59   1.485  -5.992  -3.316
  382   HD13  LEU  59          3HD1      LEU  59   2.160  -7.621  -3.386
  383   HD21  LEU  59          3HD2      LEU  59  -0.665  -9.387  -2.749
  384   HD22  LEU  59          1HD2      LEU  59   1.059  -9.090  -2.518
  385   HD23  LEU  59          2HD2      LEU  59  -0.125  -8.211  -1.550
  386    H    ILE  60           H        ILE  60  -4.436  -7.412  -3.435
  387    HA   ILE  60           HA       ILE  60  -5.609  -5.000  -2.330
  388    HB   ILE  60           HB       ILE  60  -6.731  -7.750  -2.858
  389   HG12  ILE  60          2HG1      ILE  60  -8.357  -5.920  -4.067
  390   HG13  ILE  60          1HG1      ILE  60  -6.799  -5.110  -4.167
  391   HG21  ILE  60          1HG2      ILE  60  -8.942  -6.526  -2.186
  392   HG22  ILE  60          2HG2      ILE  60  -7.928  -7.274  -0.952
  393   HG23  ILE  60          3HG2      ILE  60  -7.857  -5.531  -1.212
  394   HD11  ILE  60          3HD1      ILE  60  -7.552  -7.793  -5.286
  395   HD12  ILE  60          1HD1      ILE  60  -7.089  -6.334  -6.164
  396   HD13  ILE  60          2HD1      ILE  60  -5.891  -7.201  -5.205
  397    H    ILE  61           H        ILE  61  -5.126  -4.475  -0.341
  398    HA   ILE  61           HA       ILE  61  -4.230  -6.437   1.585
  399    HB   ILE  61           HB       ILE  61  -4.800  -3.637   2.419
  400   HG12  ILE  61          2HG1      ILE  61  -3.813  -3.389   0.159
  401   HG13  ILE  61          1HG1      ILE  61  -2.784  -2.749   1.433
  402   HG21  ILE  61          1HG2      ILE  61  -2.291  -5.193   2.898
  403   HG22  ILE  61          2HG2      ILE  61  -3.029  -3.928   3.880
  404   HG23  ILE  61          3HG2      ILE  61  -3.761  -5.531   3.812
  405   HD11  ILE  61          3HD1      ILE  61  -2.186  -4.675  -0.561
  406   HD12  ILE  61          1HD1      ILE  61  -1.119  -3.957   0.648
  407   HD13  ILE  61          2HD1      ILE  61  -2.021  -5.427   1.026
  408    H    ASN  62           H        ASN  62  -5.261  -7.051   3.428
  409    HA   ASN  62           HA       ASN  62  -8.106  -6.724   3.588
  410    HB2  ASN  62           1HB      ASN  62  -6.653  -8.723   4.388
  411    HB3  ASN  62           2HB      ASN  62  -6.387  -7.749   5.830
  412   HD21  ASN  62          1HD2      ASN  62  -8.494  -9.825   4.172
  413   HD22  ASN  62          2HD2      ASN  62  -9.824  -9.755   5.293
  414    H    ALA  63           H        ALA  63  -9.286  -5.476   5.024
  415    HA   ALA  63           HA       ALA  63  -8.223  -2.963   5.654
  416    HB1  ALA  63           1HB      ALA  63 -10.317  -2.422   6.527
  417    HB2  ALA  63           2HB      ALA  63 -10.665  -3.657   5.317
  418    HB3  ALA  63           3HB      ALA  63 -10.640  -4.082   7.028
  419    H    ALA  64           H        ALA  64  -8.546  -5.864   7.611
  420    HA   ALA  64           HA       ALA  64  -7.947  -4.515  10.084
  421    HB1  ALA  64           1HB      ALA  64  -7.617  -7.129  10.673
  422    HB2  ALA  64           2HB      ALA  64  -9.178  -6.308  10.651
  423    HB3  ALA  64           3HB      ALA  64  -8.655  -7.244   9.251
  424    H    ASN  65           H        ASN  65  -6.061  -5.368   7.501
  425    HA   ASN  65           HA       ASN  65  -3.758  -6.099   9.177
  426    HB2  ASN  65           1HB      ASN  65  -4.705  -7.138   6.725
  427    HB3  ASN  65           2HB      ASN  65  -3.180  -6.324   6.380
  428   HD21  ASN  65          1HD2      ASN  65  -3.905  -9.194   6.447
  429   HD22  ASN  65          2HD2      ASN  65  -2.771  -9.907   7.542
  430    H    CYS  66           H        CYS  66  -4.879  -3.423   8.742
  431    HA   CYS  66           HA       CYS  66  -2.342  -2.124   8.067
  432    HB2  CYS  66           1HB      CYS  66  -4.203  -1.961   6.232
  433    HB3  CYS  66           2HB      CYS  66  -4.949  -0.812   7.339
  434    H    VAL  67           H        VAL  67  -2.447   0.259   8.934
  435    HA   VAL  67           HA       VAL  67  -3.136   0.033  11.723
  436    HB   VAL  67           HB       VAL  67  -2.421   2.632  11.496
  437   HG11  VAL  67          1HG1      VAL  67  -0.750   0.162  11.786
  438   HG12  VAL  67          2HG1      VAL  67  -0.053   1.776  11.928
  439   HG13  VAL  67          3HG1      VAL  67  -1.326   1.265  13.036
  440   HG21  VAL  67          3HG2      VAL  67  -1.289   1.206   9.119
  441   HG22  VAL  67          1HG2      VAL  67  -1.996   2.819   9.223
  442   HG23  VAL  67          2HG2      VAL  67  -0.395   2.513   9.896
  443    H    ALA  68           H        ALA  68  -3.956   2.480   9.259
  444    HA   ALA  68           HA       ALA  68  -6.459   2.963  10.731
  445    HB1  ALA  68           1HB      ALA  68  -5.412   5.001  10.875
  446    HB2  ALA  68           2HB      ALA  68  -4.580   4.806   9.332
  447    HB3  ALA  68           3HB      ALA  68  -6.298   5.207   9.364
  Start of MODEL   19
    1    H1   SER   1           1H       SER   1  -3.499  15.921  -1.586
    2    H2   SER   1           2H       SER   1  -3.100  14.280  -1.692
    3    H3   SER   1           3H       SER   1  -4.048  14.999  -2.899
    4    HA   SER   1           HA       SER   1  -2.317  15.780  -3.997
    5    HB2  SER   1           1HB      SER   1  -0.643  16.300  -1.570
    6    HB3  SER   1           2HB      SER   1  -0.786  17.236  -3.058
    7    HG   SER   1           HG       SER   1  -1.860  17.951  -0.921
    8    H    ALA   2           H        ALA   2  -0.470  14.849  -4.889
    9    HA   ALA   2           HA       ALA   2   0.056  12.164  -4.008
   10    HB1  ALA   2           1HB      ALA   2   1.874  12.937  -6.046
   11    HB2  ALA   2           2HB      ALA   2   0.465  11.885  -6.173
   12    HB3  ALA   2           3HB      ALA   2   0.296  13.621  -6.435
   13    H    THR   3           H        THR   3   1.443  11.711  -2.456
   14    HA   THR   3           HA       THR   3   3.755  13.483  -2.056
   15    HB   THR   3           HB       THR   3   3.475  11.465  -0.013
   16    HG1  THR   3           1HG      THR   3   1.159  12.793  -0.851
   17   HG21  THR   3          3HG2      THR   3   3.892  13.228   1.405
   18   HG22  THR   3          1HG2      THR   3   2.950  14.364   0.441
   19   HG23  THR   3          2HG2      THR   3   4.551  13.865  -0.103
   20    H    THR   4           H        THR   4   5.777  12.747  -2.392
   21    HA   THR   4           HA       THR   4   6.080  10.109  -3.536
   22    HB   THR   4           HB       THR   4   8.591  11.450  -3.141
   23    HG1  THR   4           1HG      THR   4   6.505  13.004  -4.343
   24   HG21  THR   4          3HG2      THR   4   7.208  11.321  -5.778
   25   HG22  THR   4          1HG2      THR   4   7.620   9.810  -4.966
   26   HG23  THR   4          2HG2      THR   4   8.886  10.969  -5.367
   27    H    ILE   5           H        ILE   5   7.065   8.395  -2.591
   28    HA   ILE   5           HA       ILE   5   7.815   8.704   0.219
   29    HB   ILE   5           HB       ILE   5   7.988   6.047  -0.139
   30   HG12  ILE   5          2HG1      ILE   5   5.667   5.758  -1.525
   31   HG13  ILE   5          1HG1      ILE   5   6.420   7.076  -2.418
   32   HG21  ILE   5          1HG2      ILE   5   5.335   6.241   0.365
   33   HG22  ILE   5          2HG2      ILE   5   6.600   6.514   1.564
   34   HG23  ILE   5          3HG2      ILE   5   5.869   7.884   0.727
   35   HD11  ILE   5          3HD1      ILE   5   8.392   5.110  -1.954
   36   HD12  ILE   5          1HD1      ILE   5   6.946   4.307  -2.567
   37   HD13  ILE   5          2HD1      ILE   5   7.679   5.624  -3.483
   38    H    GLY   6           H        GLY   6   9.880   9.198   0.515
   39    HA2  GLY   6           1HA      GLY   6  11.898   8.306  -1.383
   40    HA3  GLY   6           2HA      GLY   6  12.147   9.409  -0.038
   41    HA   PRO   7           HA       PRO   7  14.170   5.832   1.660
   42    HB2  PRO   7           1HB      PRO   7  14.915   7.463   3.928
   43    HB3  PRO   7           2HB      PRO   7  15.932   6.900   2.600
   44    HG2  PRO   7           1HG      PRO   7  15.260   9.524   2.991
   45    HG3  PRO   7           2HG      PRO   7  15.664   8.831   1.410
   46    HD2  PRO   7           1HD      PRO   7  12.974   9.423   2.588
   47    HD3  PRO   7           2HD      PRO   7  13.559   9.664   0.925
   48    H    ASN   8           H        ASN   8  11.834   5.142   2.020
   49    HA   ASN   8           HA       ASN   8  10.303   4.113   3.324
   50    HB2  ASN   8           1HB      ASN   8  12.371   3.133   4.368
   51    HB3  ASN   8           2HB      ASN   8  12.260   4.380   5.610
   52   HD21  ASN   8          1HD2      ASN   8  11.017   1.403   4.428
   53   HD22  ASN   8          2HD2      ASN   8   9.898   1.105   5.727
   54    H    THR   9           H        THR   9   8.585   5.401   3.506
   55    HA   THR   9           HA       THR   9   8.615   7.448   5.619
   56    HB   THR   9           HB       THR   9   6.618   7.297   3.366
   57    HG1  THR   9           1HG      THR   9   9.228   7.820   3.156
   58   HG21  THR   9          3HG2      THR   9   5.816   8.770   4.977
   59   HG22  THR   9          1HG2      THR   9   6.675   9.835   3.865
   60   HG23  THR   9          2HG2      THR   9   7.429   9.357   5.387
   61    H    CYS  10           H        CYS  10   8.313   5.263   6.867
   62    HA   CYS  10           HA       CYS  10   5.568   5.197   7.683
   63    HB2  CYS  10           1HB      CYS  10   6.600   3.137   5.870
   64    HB3  CYS  10           2HB      CYS  10   5.877   2.488   7.339
   65    H    SER  11           H        SER  11   6.145   5.612   9.750
   66    HA   SER  11           HA       SER  11   7.832   3.594  11.070
   67    HB2  SER  11           1HB      SER  11   7.476   6.385  12.135
   68    HB3  SER  11           2HB      SER  11   8.756   5.222  12.488
   69    HG   SER  11           HG       SER  11   8.735   5.728   9.859
   70    H    ILE  12           H        ILE  12   6.343   2.237  11.867
   71    HA   ILE  12           HA       ILE  12   4.642   3.266  14.016
   72    HB   ILE  12           HB       ILE  12   3.584   1.368  11.906
   73   HG12  ILE  12          2HG1      ILE  12   2.825   4.232  12.523
   74   HG13  ILE  12          1HG1      ILE  12   3.617   3.660  11.061
   75   HG21  ILE  12          1HG2      ILE  12   1.627   2.465  13.709
   76   HG22  ILE  12          2HG2      ILE  12   1.990   0.780  13.334
   77   HG23  ILE  12          3HG2      ILE  12   2.896   1.618  14.594
   78   HD11  ILE  12          3HD1      ILE  12   1.659   2.507  10.361
   79   HD12  ILE  12          1HD1      ILE  12   0.875   2.777  11.918
   80   HD13  ILE  12          2HD1      ILE  12   1.177   4.136  10.836
   81    H    ASP  13           H        ASP  13   5.554   0.342  12.241
   82    HA   ASP  13           HA       ASP  13   6.957  -0.917  14.302
   83    HB2  ASP  13           1HB      ASP  13   4.628  -1.028  15.301
   84    HB3  ASP  13           2HB      ASP  13   4.168  -2.057  13.949
   85    H    ASP  14           H        ASP  14   5.502  -3.559  13.303
   86    HA   ASP  14           HA       ASP  14   7.125  -3.899  10.940
   87    HB2  ASP  14           1HB      ASP  14   6.765  -5.761  12.535
   88    HB3  ASP  14           2HB      ASP  14   5.047  -5.740  12.158
   89    H    TYR  15           H        TYR  15   5.965  -1.971  10.019
   90    HA   TYR  15           HA       TYR  15   3.685  -2.891   8.414
   91    HB2  TYR  15           1HB      TYR  15   3.953  -0.241   9.850
   92    HB3  TYR  15           2HB      TYR  15   2.763  -0.547   8.589
   93    HD1  TYR  15           1HD      TYR  15   1.082  -2.449   8.991
   94    HD2  TYR  15           2HD      TYR  15   3.484  -0.784  12.080
   95    HE1  TYR  15           1HE      TYR  15  -0.460  -3.362  10.674
   96    HE2  TYR  15           2HE      TYR  15   1.949  -1.693  13.774
   97    HH   TYR  15           HH       TYR  15   0.290  -3.387  14.040
   98    H    LYS  16           H        LYS  16   3.788  -2.302   6.290
   99    HA   LYS  16           HA       LYS  16   6.333  -1.093   5.482
  100    HB2  LYS  16           1HB      LYS  16   4.398  -2.878   3.998
  101    HB3  LYS  16           2HB      LYS  16   5.817  -2.151   3.261
  102    HG2  LYS  16           1HG      LYS  16   6.997  -3.906   3.912
  103    HG3  LYS  16           2HG      LYS  16   6.722  -3.428   5.588
  104    HD2  LYS  16           1HD      LYS  16   4.375  -4.639   5.028
  105    HD3  LYS  16           2HD      LYS  16   5.467  -5.558   3.988
  106    HE2  LYS  16           2HE      LYS  16   6.473  -5.088   6.704
  107    HE3  LYS  16           1HE      LYS  16   5.015  -6.075   6.626
  108    HZ1  LYS  16           3HZ      LYS  16   6.210  -7.463   4.936
  109    HZ2  LYS  16           1HZ      LYS  16   6.859  -7.528   6.506
  110    HZ3  LYS  16           2HZ      LYS  16   7.623  -6.597   5.310
  111    HA   PRO  17           HA       PRO  17   4.227   2.409   3.766
  112    HB2  PRO  17           1HB      PRO  17   5.947   3.151   1.812
  113    HB3  PRO  17           2HB      PRO  17   6.311   3.368   3.528
  114    HG2  PRO  17           1HG      PRO  17   7.263   1.262   1.639
  115    HG3  PRO  17           2HG      PRO  17   8.149   2.098   2.927
  116    HD2  PRO  17           1HD      PRO  17   7.110  -0.430   3.169
  117    HD3  PRO  17           2HD      PRO  17   7.400   0.661   4.537
  118    H    TYR  18           H        TYR  18   2.380   1.598   2.861
  119    HA   TYR  18           HA       TYR  18   2.545   0.505   0.143
  120    HB2  TYR  18           1HB      TYR  18   0.423   0.324   2.278
  121    HB3  TYR  18           2HB      TYR  18   0.156  -0.198   0.622
  122    HD1  TYR  18           1HD      TYR  18   2.033  -1.912  -0.265
  123    HD2  TYR  18           2HD      TYR  18   1.015  -1.257   3.811
  124    HE1  TYR  18           1HE      TYR  18   2.903  -4.145   0.309
  125    HE2  TYR  18           2HE      TYR  18   1.888  -3.474   4.395
  126    HH   TYR  18           HH       TYR  18   3.706  -5.407   2.197
  127    H    CYS  19           H        CYS  19   1.630   1.549  -1.533
  128    HA   CYS  19           HA       CYS  19   0.336   4.112  -1.092
  129    HB2  CYS  19           1HB      CYS  19   1.450   2.631  -3.416
  130    HB3  CYS  19           2HB      CYS  19   0.134   3.751  -3.752
  131    H    CYS  20           H        CYS  20  -1.611   3.621  -0.113
  132    HA   CYS  20           HA       CYS  20  -3.217   1.442  -1.164
  133    HB2  CYS  20           1HB      CYS  20  -3.484   3.195   1.271
  134    HB3  CYS  20           2HB      CYS  20  -4.669   1.971   0.825
  135    H    GLN  21           H        GLN  21  -4.541   1.823  -2.780
  136    HA   GLN  21           HA       GLN  21  -6.168   4.274  -2.707
  137    HB2  GLN  21           1HB      GLN  21  -6.711   3.594  -5.130
  138    HB3  GLN  21           2HB      GLN  21  -5.116   4.258  -4.809
  139    HG2  GLN  21           1HG      GLN  21  -4.794   1.527  -4.470
  140    HG3  GLN  21           2HG      GLN  21  -5.871   1.677  -5.859
  141   HE21  GLN  21          1HE2      GLN  21  -2.815   1.202  -5.180
  142   HE22  GLN  21          2HE2      GLN  21  -2.040   2.068  -6.465
  143    H    SER  22           H        SER  22  -8.441   4.062  -2.860
  144    HA   SER  22           HA       SER  22  -9.412   1.663  -1.628
  145    HB2  SER  22           1HB      SER  22 -11.446   3.541  -2.543
  146    HB3  SER  22           2HB      SER  22 -11.061   3.013  -0.902
  147    HG   SER  22           HG       SER  22 -10.545   5.130  -0.906
  148    H    MET  23           H        MET  23  -9.933  -0.089  -2.730
  149    HA   MET  23           HA       MET  23 -10.365   0.042  -5.588
  150    HB2  MET  23           1HB      MET  23  -9.712  -2.031  -3.608
  151    HB3  MET  23           2HB      MET  23 -10.768  -2.578  -4.905
  152    HG2  MET  23           1HG      MET  23  -7.953  -1.624  -5.022
  153    HG3  MET  23           2HG      MET  23  -8.699  -3.036  -5.770
  154    HE1  MET  23           3HE      MET  23  -7.962   0.999  -7.604
  155    HE2  MET  23           1HE      MET  23  -7.953   0.681  -5.869
  156    HE3  MET  23           2HE      MET  23  -6.819  -0.161  -6.927
  157    H    SER  24           H        SER  24 -12.274   0.179  -6.527
  158    HA   SER  24           HA       SER  24 -14.647   0.201  -4.893
  159    HB2  SER  24           1HB      SER  24 -14.658   0.533  -7.874
  160    HB3  SER  24           2HB      SER  24 -15.660   1.329  -6.659
  161    HG   SER  24           HG       SER  24 -13.558   2.287  -5.934
  162    H    GLY  25           H        GLY  25 -14.621  -2.093  -4.351
  163    HA2  GLY  25           1HA      GLY  25 -16.183  -3.864  -4.574
  164    HA3  GLY  25           2HA      GLY  25 -16.277  -3.532  -6.295
  165    H    SER  26           H        SER  26 -13.285  -3.414  -6.417
  166    HA   SER  26           HA       SER  26 -12.815  -6.124  -7.098
  167    HB2  SER  26           1HB      SER  26 -10.341  -4.849  -6.888
  168    HB3  SER  26           2HB      SER  26 -11.341  -4.961  -8.339
  169    HG   SER  26           HG       SER  26 -11.446  -2.867  -8.190
  170    H    ALA  27           H        ALA  27 -11.930  -4.087  -4.386
  171    HA   ALA  27           HA       ALA  27 -11.637  -6.245  -2.572
  172    HB1  ALA  27           1HB      ALA  27  -9.492  -6.768  -2.958
  173    HB2  ALA  27           2HB      ALA  27  -9.255  -5.364  -3.997
  174    HB3  ALA  27           3HB      ALA  27  -9.092  -5.203  -2.249
  175    H    SER  28           H        SER  28  -9.833  -4.794  -0.801
  176    HA   SER  28           HA       SER  28 -11.567  -2.543  -0.129
  177    HB2  SER  28           1HB      SER  28  -9.458  -2.866   1.760
  178    HB3  SER  28           2HB      SER  28 -11.179  -3.204   1.969
  179    HG   SER  28           HG       SER  28 -10.752  -5.253   1.869
  180    H    LEU  29           H        LEU  29  -8.039  -3.043   0.112
  181    HA   LEU  29           HA       LEU  29  -7.710  -0.385  -1.106
  182    HB2  LEU  29           1HB      LEU  29  -6.364  -1.568   1.305
  183    HB3  LEU  29           2HB      LEU  29  -5.624  -0.264   0.394
  184    HG   LEU  29           HG       LEU  29  -8.396  -0.023   1.544
  185   HD11  LEU  29          1HD1      LEU  29  -5.830   0.849   2.860
  186   HD12  LEU  29          2HD1      LEU  29  -7.469   1.045   3.480
  187   HD13  LEU  29          3HD1      LEU  29  -6.769  -0.566   3.335
  188   HD21  LEU  29          3HD2      LEU  29  -6.464   1.744   0.181
  189   HD22  LEU  29          1HD2      LEU  29  -8.228   1.763   0.170
  190   HD23  LEU  29          2HD2      LEU  29  -7.346   2.444   1.538
  191    H    GLY  30           H        GLY  30  -6.521  -0.394  -2.875
  192    HA2  GLY  30           1HA      GLY  30  -4.897  -2.718  -3.545
  193    HA3  GLY  30           2HA      GLY  30  -5.244  -1.346  -4.593
  194    H    CYS  31           H        CYS  31  -3.396  -2.360  -1.782
  195    HA   CYS  31           HA       CYS  31  -1.830   0.078  -1.831
  196    HB2  CYS  31           1HB      CYS  31  -1.586  -2.304   0.008
  197    HB3  CYS  31           2HB      CYS  31  -0.891  -0.705   0.250
  198    H    VAL  32           H        VAL  32  -0.409   0.058  -3.506
  199    HA   VAL  32           HA       VAL  32   1.236  -2.269  -4.020
  200    HB   VAL  32           HB       VAL  32   2.302   0.124  -5.218
  201   HG11  VAL  32          1HG1      VAL  32   0.824  -1.955  -6.750
  202   HG12  VAL  32          2HG1      VAL  32   2.366  -1.171  -7.102
  203   HG13  VAL  32          3HG1      VAL  32   2.275  -2.423  -5.861
  204   HG21  VAL  32          3HG2      VAL  32   0.452   1.333  -5.557
  205   HG22  VAL  32          1HG2      VAL  32  -0.010   0.085  -6.713
  206   HG23  VAL  32          2HG2      VAL  32  -0.606   0.014  -5.055
  207    H    VAL  33           H        VAL  33   3.335  -2.567  -3.358
  208    HA   VAL  33           HA       VAL  33   4.230  -1.159  -1.081
  209    HB   VAL  33           HB       VAL  33   4.927  -3.441  -1.363
  210   HG11  VAL  33          1HG1      VAL  33   4.935  -3.583  -3.789
  211   HG12  VAL  33          2HG1      VAL  33   6.367  -2.556  -3.861
  212   HG13  VAL  33          3HG1      VAL  33   6.467  -4.158  -3.132
  213   HG21  VAL  33          3HG2      VAL  33   7.604  -2.733  -1.648
  214   HG22  VAL  33          1HG2      VAL  33   6.814  -1.290  -1.013
  215   HG23  VAL  33          2HG2      VAL  33   6.679  -2.821  -0.148
  216    H    GLY  34           H        GLY  34   5.075   0.787  -0.983
  217    HA2  GLY  34           1HA      GLY  34   5.568   2.303  -3.325
  218    HA3  GLY  34           2HA      GLY  34   5.861   2.825  -1.676
  219    H    VAL  35           H        VAL  35   7.742   0.869  -0.936
  220    HA   VAL  35           HA       VAL  35   9.999   0.736  -0.778
  221    HB   VAL  35           HB       VAL  35  10.283   0.994  -3.757
  222   HG11  VAL  35          1HG1      VAL  35  12.056  -0.587  -3.463
  223   HG12  VAL  35          2HG1      VAL  35  12.247   0.673  -2.244
  224   HG13  VAL  35          3HG1      VAL  35  11.574  -0.895  -1.795
  225   HG21  VAL  35          3HG2      VAL  35   9.229  -0.931  -4.263
  226   HG22  VAL  35          1HG2      VAL  35   9.714  -1.709  -2.756
  227   HG23  VAL  35          2HG2      VAL  35   8.331  -0.615  -2.778
  228    H    ILE  36           H        ILE  36  10.960   2.341  -3.605
  229    HA   ILE  36           HA       ILE  36  11.207   4.909  -2.198
  230    HB   ILE  36           HB       ILE  36  13.495   3.919  -3.860
  231   HG12  ILE  36          2HG1      ILE  36  12.882   2.251  -1.977
  232   HG13  ILE  36          1HG1      ILE  36  14.550   2.789  -2.111
  233   HG21  ILE  36          1HG2      ILE  36  14.763   5.531  -2.688
  234   HG22  ILE  36          2HG2      ILE  36  13.235   6.308  -3.104
  235   HG23  ILE  36          3HG2      ILE  36  13.512   5.729  -1.462
  236   HD11  ILE  36          3HD1      ILE  36  13.708   2.695   0.209
  237   HD12  ILE  36          1HD1      ILE  36  14.267   4.297  -0.269
  238   HD13  ILE  36          2HD1      ILE  36  12.539   3.951  -0.197
  239    H    GLY  37           H        GLY  37  10.588   6.578  -3.449
  240    HA2  GLY  37           1HA      GLY  37  11.065   7.919  -5.377
  241    HA3  GLY  37           2HA      GLY  37  11.275   6.448  -6.307
  242    H    SER  38           H        SER  38   8.815   5.231  -5.323
  243    HA   SER  38           HA       SER  38   7.109   5.999  -7.369
  244    HB2  SER  38           1HB      SER  38   6.046   4.737  -4.864
  245    HB3  SER  38           2HB      SER  38   5.619   4.408  -6.543
  246    HG   SER  38           HG       SER  38   7.649   3.365  -4.995
  247    H    GLN  39           H        GLN  39   5.423   7.353  -7.590
  248    HA   GLN  39           HA       GLN  39   5.076   9.405  -5.554
  249    HB2  GLN  39           1HB      GLN  39   4.693   9.192  -8.429
  250    HB3  GLN  39           2HB      GLN  39   3.300   9.919  -7.640
  251    HG2  GLN  39           1HG      GLN  39   4.388  11.837  -7.697
  252    HG3  GLN  39           2HG      GLN  39   5.482  11.174  -6.484
  253   HE21  GLN  39          1HE2      GLN  39   6.600  12.994  -7.890
  254   HE22  GLN  39          2HE2      GLN  39   7.651  12.360  -9.116
  255    H    CYS  40           H        CYS  40   3.675   8.987  -3.965
  256    HA   CYS  40           HA       CYS  40   1.459   7.176  -4.386
  257    HB2  CYS  40           1HB      CYS  40   3.007   7.853  -2.191
  258    HB3  CYS  40           2HB      CYS  40   1.465   8.631  -1.860
  259    H    GLY  41           H        GLY  41   0.156   8.265  -5.853
  260    HA2  GLY  41           1HA      GLY  41  -0.875  10.891  -5.276
  261    HA3  GLY  41           2HA      GLY  41  -1.403   9.818  -6.566
  262    H    ALA  42           H        ALA  42  -1.423   8.036  -3.832
  263    HA   ALA  42           HA       ALA  42  -4.230   8.679  -3.237
  264    HB1  ALA  42           1HB      ALA  42  -3.846   6.547  -4.551
  265    HB2  ALA  42           2HB      ALA  42  -3.042   5.913  -3.115
  266    HB3  ALA  42           3HB      ALA  42  -4.742   6.372  -3.041
  267    H    SER  43           H        SER  43  -4.490   6.858  -1.114
  268    HA   SER  43           HA       SER  43  -3.326   8.399   0.979
  269    HB2  SER  43           1HB      SER  43  -4.436   6.015   2.030
  270    HB3  SER  43           2HB      SER  43  -5.165   7.622   1.993
  271    HG   SER  43           HG       SER  43  -5.383   5.562   0.040
  272    H    VAL  44           H        VAL  44  -1.199   8.194   1.360
  273    HA   VAL  44           HA       VAL  44   0.246   5.737   1.163
  274    HB   VAL  44           HB       VAL  44   1.246   7.893   2.959
  275   HG11  VAL  44          1HG1      VAL  44   3.107   7.208   0.980
  276   HG12  VAL  44          2HG1      VAL  44   3.081   6.684   2.664
  277   HG13  VAL  44          3HG1      VAL  44   2.295   5.707   1.426
  278   HG21  VAL  44          3HG2      VAL  44   0.225   8.491   0.367
  279   HG22  VAL  44          1HG2      VAL  44   1.035   9.561   1.511
  280   HG23  VAL  44          2HG2      VAL  44   1.981   8.646   0.337
  281    H    LYS  45           H        LYS  45  -0.053   4.070   2.518
  282    HA   LYS  45           HA       LYS  45  -0.642   4.666   5.342
  283    HB2  LYS  45           1HB      LYS  45  -2.065   2.720   3.528
  284    HB3  LYS  45           2HB      LYS  45  -2.164   2.628   5.281
  285    HG2  LYS  45           1HG      LYS  45  -3.086   4.912   5.319
  286    HG3  LYS  45           2HG      LYS  45  -3.051   4.930   3.555
  287    HD2  LYS  45           1HD      LYS  45  -5.195   4.233   3.836
  288    HD3  LYS  45           2HD      LYS  45  -4.401   2.659   3.917
  289    HE2  LYS  45           2HE      LYS  45  -5.130   2.356   5.992
  290    HE3  LYS  45           1HE      LYS  45  -4.386   3.868   6.507
  291    HZ1  LYS  45           3HZ      LYS  45  -6.344   4.896   6.533
  292    HZ2  LYS  45           1HZ      LYS  45  -7.055   3.361   6.424
  293    HZ3  LYS  45           2HZ      LYS  45  -6.801   4.279   5.023
  294    H    CYS  46           H        CYS  46   0.185   3.276   6.846
  295    HA   CYS  46           HA       CYS  46   2.197   1.385   5.873
  296    HB2  CYS  46           1HB      CYS  46   1.730   2.232   8.733
  297    HB3  CYS  46           2HB      CYS  46   3.175   1.498   8.044
  298    H    CYS  47           H        CYS  47   0.515  -0.090   5.191
  299    HA   CYS  47           HA       CYS  47  -1.165  -1.249   7.258
  300    HB2  CYS  47           1HB      CYS  47  -0.978  -1.924   4.319
  301    HB3  CYS  47           2HB      CYS  47  -2.234  -2.452   5.433
  302    H    LYS  48           H        LYS  48  -1.404  -3.646   7.303
  303    HA   LYS  48           HA       LYS  48   1.149  -5.024   6.828
  304    HB2  LYS  48           1HB      LYS  48   0.875  -4.844   9.202
  305    HB3  LYS  48           2HB      LYS  48  -0.808  -5.341   9.108
  306    HG2  LYS  48           1HG      LYS  48  -0.056  -7.363   9.658
  307    HG3  LYS  48           2HG      LYS  48   0.503  -7.473   7.989
  308    HD2  LYS  48           1HD      LYS  48   2.677  -7.227   8.567
  309    HD3  LYS  48           2HD      LYS  48   2.304  -6.075   9.853
  310    HE2  LYS  48           2HE      LYS  48   1.219  -8.311  10.884
  311    HE3  LYS  48           1HE      LYS  48   2.538  -9.011   9.944
  312    HZ1  LYS  48           3HZ      LYS  48   4.105  -7.665  11.108
  313    HZ2  LYS  48           1HZ      LYS  48   3.140  -8.458  12.257
  314    HZ3  LYS  48           2HZ      LYS  48   2.872  -6.819  11.915
  315    H    ASP  49           H        ASP  49   1.032  -6.759   5.575
  316    HA   ASP  49           HA       ASP  49  -1.094  -8.592   5.444
  317    HB2  ASP  49           1HB      ASP  49  -1.877  -6.425   4.068
  318    HB3  ASP  49           2HB      ASP  49  -0.915  -7.196   2.811
  319    H    ASP  50           H        ASP  50   1.522  -6.985   3.777
  320    HA   ASP  50           HA       ASP  50   3.553  -7.679   3.091
  321    HB2  ASP  50           1HB      ASP  50   3.141  -9.378   5.094
  322    HB3  ASP  50           2HB      ASP  50   3.096 -10.538   3.770
  323    H    VAL  51           H        VAL  51   1.899 -10.745   2.525
  324    HA   VAL  51           HA       VAL  51   1.897 -10.171  -0.352
  325    HB   VAL  51           HB       VAL  51   2.856 -12.792   0.828
  326   HG11  VAL  51          1HG1      VAL  51   1.636 -12.820  -1.400
  327   HG12  VAL  51          2HG1      VAL  51   3.009 -11.922  -2.046
  328   HG13  VAL  51          3HG1      VAL  51   3.248 -13.535  -1.372
  329   HG21  VAL  51          3HG2      VAL  51   4.336 -10.405  -0.173
  330   HG22  VAL  51          1HG2      VAL  51   4.693 -11.460   1.196
  331   HG23  VAL  51          2HG2      VAL  51   5.007 -12.011  -0.451
  332    H    THR  52           H        THR  52  -0.133 -10.425  -1.070
  333    HA   THR  52           HA       THR  52  -2.058 -11.945   0.425
  334    HB   THR  52           HB       THR  52  -3.030 -11.298  -2.185
  335    HG1  THR  52           1HG      THR  52  -2.484  -8.840  -1.311
  336   HG21  THR  52          3HG2      THR  52  -4.554 -11.316  -0.411
  337   HG22  THR  52          1HG2      THR  52  -4.351  -9.599  -0.761
  338   HG23  THR  52          2HG2      THR  52  -3.517 -10.324   0.615
  339    H    ASN  53           H        ASN  53  -1.956 -12.167  -3.071
  340    HA   ASN  53           HA       ASN  53  -0.781 -14.775  -3.134
  341    HB2  ASN  53           1HB      ASN  53  -3.274 -15.043  -2.365
  342    HB3  ASN  53           2HB      ASN  53  -3.635 -14.747  -4.062
  343   HD21  ASN  53          1HD2      ASN  53  -3.040 -17.083  -1.823
  344   HD22  ASN  53          2HD2      ASN  53  -2.551 -18.368  -2.871
  345    H    THR  54           H        THR  54  -3.304 -13.238  -5.098
  346    HA   THR  54           HA       THR  54  -1.807 -13.704  -7.500
  347    HB   THR  54           HB       THR  54  -4.237 -11.971  -7.433
  348    HG1  THR  54           1HG      THR  54  -4.560 -14.772  -7.410
  349   HG21  THR  54          3HG2      THR  54  -2.892 -13.841  -9.302
  350   HG22  THR  54          1HG2      THR  54  -3.678 -12.295  -9.618
  351   HG23  THR  54          2HG2      THR  54  -4.651 -13.747  -9.381
  352    H    GLY  55           H        GLY  55  -0.314 -12.407  -8.284
  353    HA2  GLY  55           1HA      GLY  55  -0.443  -9.523  -7.650
  354    HA3  GLY  55           2HA      GLY  55   1.020 -10.394  -8.106
  355    H    ASN  56           H        ASN  56  -1.925  -8.939  -9.241
  356    HA   ASN  56           HA       ASN  56  -1.592  -9.834 -11.953
  357    HB2  ASN  56           1HB      ASN  56  -3.468  -7.991 -12.268
  358    HB3  ASN  56           2HB      ASN  56  -3.837  -9.552 -11.544
  359   HD21  ASN  56          1HD2      ASN  56  -5.230  -9.298  -9.954
  360   HD22  ASN  56          2HD2      ASN  56  -5.189  -8.038  -8.767
  361    H    SER  57           H        SER  57  -2.078  -6.470 -10.927
  362    HA   SER  57           HA       SER  57   0.299  -5.725 -12.508
  363    HB2  SER  57           1HB      SER  57  -1.714  -3.620 -12.228
  364    HB3  SER  57           2HB      SER  57  -0.887  -4.202 -13.673
  365    HG   SER  57           HG       SER  57  -2.400  -6.105 -13.363
  366    H    PHE  58           H        PHE  58  -1.268  -5.709  -9.530
  367    HA   PHE  58           HA       PHE  58   0.826  -4.216  -8.281
  368    HB2  PHE  58           1HB      PHE  58  -0.472  -2.434  -7.345
  369    HB3  PHE  58           2HB      PHE  58  -0.741  -2.414  -9.083
  370    HD1  PHE  58           1HD      PHE  58  -2.808  -4.510  -9.393
  371    HD2  PHE  58           2HD      PHE  58  -2.349  -1.489  -6.431
  372    HE1  PHE  58           1HE      PHE  58  -5.236  -4.524  -9.004
  373    HE2  PHE  58           2HE      PHE  58  -4.771  -1.506  -6.035
  374    HZ   PHE  58           HZ       PHE  58  -6.220  -3.022  -7.323
  375    H    LEU  59           H        LEU  59   0.011  -3.901  -5.797
  376    HA   LEU  59           HA       LEU  59  -0.802  -6.600  -5.019
  377    HB2  LEU  59           1HB      LEU  59   1.180  -4.811  -4.085
  378    HB3  LEU  59           2HB      LEU  59  -0.003  -4.973  -2.799
  379    HG   LEU  59           HG       LEU  59   0.345  -7.575  -3.444
  380   HD11  LEU  59          1HD1      LEU  59   2.458  -8.109  -4.141
  381   HD12  LEU  59          2HD1      LEU  59   2.185  -6.631  -5.062
  382   HD13  LEU  59          3HD1      LEU  59   3.150  -6.586  -3.586
  383   HD21  LEU  59          3HD2      LEU  59   0.440  -6.675  -1.210
  384   HD22  LEU  59          1HD2      LEU  59   1.868  -7.669  -1.499
  385   HD23  LEU  59          2HD2      LEU  59   1.993  -5.910  -1.545
  386    H    ILE  60           H        ILE  60  -2.530  -6.996  -3.728
  387    HA   ILE  60           HA       ILE  60  -4.223  -4.691  -3.037
  388    HB   ILE  60           HB       ILE  60  -5.901  -6.875  -2.925
  389   HG12  ILE  60          2HG1      ILE  60  -4.046  -7.164  -5.300
  390   HG13  ILE  60          1HG1      ILE  60  -4.334  -8.347  -4.031
  391   HG21  ILE  60          1HG2      ILE  60  -6.458  -4.674  -3.774
  392   HG22  ILE  60          2HG2      ILE  60  -5.463  -4.951  -5.204
  393   HG23  ILE  60          3HG2      ILE  60  -6.917  -5.915  -4.941
  394   HD11  ILE  60          3HD1      ILE  60  -6.827  -8.109  -4.940
  395   HD12  ILE  60          1HD1      ILE  60  -5.952  -7.680  -6.410
  396   HD13  ILE  60          2HD1      ILE  60  -5.659  -9.235  -5.630
  397    H    ILE  61           H        ILE  61  -4.894  -4.483  -0.966
  398    HA   ILE  61           HA       ILE  61  -3.997  -6.547   0.935
  399    HB   ILE  61           HB       ILE  61  -3.310  -3.647   0.826
  400   HG12  ILE  61          2HG1      ILE  61  -1.358  -5.021   2.198
  401   HG13  ILE  61          1HG1      ILE  61  -1.984  -6.242   1.095
  402   HG21  ILE  61          1HG2      ILE  61  -4.546  -3.742   2.912
  403   HG22  ILE  61          2HG2      ILE  61  -3.597  -5.136   3.430
  404   HG23  ILE  61          3HG2      ILE  61  -2.819  -3.566   3.222
  405   HD11  ILE  61          3HD1      ILE  61  -0.491  -5.378  -0.316
  406   HD12  ILE  61          1HD1      ILE  61  -1.708  -4.125  -0.569
  407   HD13  ILE  61          2HD1      ILE  61  -0.383  -3.855   0.565
  408    H    ASN  62           H        ASN  62  -5.263  -6.848   2.733
  409    HA   ASN  62           HA       ASN  62  -8.004  -5.972   2.485
  410    HB2  ASN  62           1HB      ASN  62  -7.430  -8.282   3.166
  411    HB3  ASN  62           2HB      ASN  62  -6.689  -7.654   4.634
  412   HD21  ASN  62          1HD2      ASN  62  -8.060  -8.741   6.000
  413   HD22  ASN  62          2HD2      ASN  62  -9.737  -8.341   6.163
  414    H    ALA  63           H        ALA  63  -9.006  -4.412   3.598
  415    HA   ALA  63           HA       ALA  63  -7.398  -2.603   5.162
  416    HB1  ALA  63           1HB      ALA  63 -10.331  -2.455   4.475
  417    HB2  ALA  63           2HB      ALA  63  -9.344  -1.150   5.134
  418    HB3  ALA  63           3HB      ALA  63  -9.017  -1.773   3.516
  419    H    ALA  64           H        ALA  64  -7.593  -5.024   6.462
  420    HA   ALA  64           HA       ALA  64  -9.052  -4.195   8.886
  421    HB1  ALA  64           1HB      ALA  64  -9.025  -6.765   9.361
  422    HB2  ALA  64           2HB      ALA  64 -10.264  -6.083   8.308
  423    HB3  ALA  64           3HB      ALA  64  -8.863  -6.898   7.611
  424    H    ASN  65           H        ASN  65  -6.567  -6.459   7.780
  425    HA   ASN  65           HA       ASN  65  -4.884  -6.192  10.044
  426    HB2  ASN  65           1HB      ASN  65  -3.180  -7.042   8.130
  427    HB3  ASN  65           2HB      ASN  65  -4.318  -8.114   8.942
  428   HD21  ASN  65          1HD2      ASN  65  -3.255  -6.935   6.006
  429   HD22  ASN  65          2HD2      ASN  65  -4.537  -7.536   5.003
  430    H    CYS  66           H        CYS  66  -5.264  -4.430   7.073
  431    HA   CYS  66           HA       CYS  66  -2.987  -2.732   7.496
  432    HB2  CYS  66           1HB      CYS  66  -3.654  -2.779   5.255
  433    HB3  CYS  66           2HB      CYS  66  -5.364  -2.691   5.656
  434    H    VAL  67           H        VAL  67  -2.888  -0.874   8.650
  435    HA   VAL  67           HA       VAL  67  -5.048  -0.372  10.491
  436    HB   VAL  67           HB       VAL  67  -3.480   1.343  11.455
  437   HG11  VAL  67          1HG1      VAL  67  -1.751  -0.505  12.115
  438   HG12  VAL  67          2HG1      VAL  67  -3.437  -0.637  12.618
  439   HG13  VAL  67          3HG1      VAL  67  -2.854  -1.565  11.235
  440   HG21  VAL  67          3HG2      VAL  67  -1.688   2.011  10.329
  441   HG22  VAL  67          1HG2      VAL  67  -1.074   0.358  10.285
  442   HG23  VAL  67          2HG2      VAL  67  -2.135   0.940   9.001
  443    H    ALA  68           H        ALA  68  -4.436   2.480  10.831
  444    HA   ALA  68           HA       ALA  68  -5.540   3.625   8.381
  445    HB1  ALA  68           1HB      ALA  68  -7.475   2.892   9.722
  446    HB2  ALA  68           2HB      ALA  68  -6.919   3.912  11.049
  447    HB3  ALA  68           3HB      ALA  68  -7.415   4.644   9.523
  Start of MODEL   20
    1    H1   SER   1           1H       SER   1  -3.683  14.777  -0.344
    2    H2   SER   1           2H       SER   1  -2.924  13.307  -0.711
    3    H3   SER   1           3H       SER   1  -3.914  14.064  -1.863
    4    HA   SER   1           HA       SER   1  -2.389  15.610  -2.418
    5    HB2  SER   1           1HB      SER   1  -0.538  15.361  -0.164
    6    HB3  SER   1           2HB      SER   1  -1.267  16.807  -0.865
    7    HG   SER   1           HG       SER   1  -2.065  16.588   1.205
    8    H    ALA   2           H        ALA   2  -0.554  15.281  -3.622
    9    HA   ALA   2           HA       ALA   2   0.320  12.539  -3.840
   10    HB1  ALA   2           1HB      ALA   2  -0.090  14.140  -5.776
   11    HB2  ALA   2           2HB      ALA   2   1.452  14.881  -5.348
   12    HB3  ALA   2           3HB      ALA   2   1.393  13.188  -5.835
   13    H    THR   3           H        THR   3   1.812  11.765  -2.490
   14    HA   THR   3           HA       THR   3   4.065  13.523  -1.765
   15    HB   THR   3           HB       THR   3   3.797  11.440   0.154
   16    HG1  THR   3           1HG      THR   3   1.404  12.596  -0.699
   17   HG21  THR   3          3HG2      THR   3   4.598  14.001   0.139
   18   HG22  THR   3          1HG2      THR   3   4.160  13.145   1.617
   19   HG23  THR   3          2HG2      THR   3   2.990  14.206   0.832
   20    H    THR   4           H        THR   4   6.018  12.809  -2.280
   21    HA   THR   4           HA       THR   4   6.264  10.221  -3.575
   22    HB   THR   4           HB       THR   4   8.634  11.983  -3.202
   23    HG1  THR   4           1HG      THR   4   7.153  13.570  -3.704
   24   HG21  THR   4          3HG2      THR   4   9.364  10.602  -4.790
   25   HG22  THR   4          1HG2      THR   4   8.179  11.297  -5.893
   26   HG23  THR   4          2HG2      THR   4   7.766   9.871  -4.941
   27    H    ILE   5           H        ILE   5   6.378   8.596  -2.110
   28    HA   ILE   5           HA       ILE   5   7.806   8.893   0.364
   29    HB   ILE   5           HB       ILE   5   6.968   6.848   1.007
   30   HG12  ILE   5          2HG1      ILE   5   6.107   5.619  -1.471
   31   HG13  ILE   5          1HG1      ILE   5   7.836   5.958  -1.501
   32   HG21  ILE   5          1HG2      ILE   5   5.054   8.165   0.705
   33   HG22  ILE   5          2HG2      ILE   5   5.094   7.975  -1.047
   34   HG23  ILE   5          3HG2      ILE   5   4.653   6.609  -0.022
   35   HD11  ILE   5          3HD1      ILE   5   6.379   3.917  -0.080
   36   HD12  ILE   5          1HD1      ILE   5   8.108   4.061  -0.394
   37   HD13  ILE   5          2HD1      ILE   5   7.395   4.864   1.005
   38    H    GLY   6           H        GLY   6   9.575   7.532   1.041
   39    HA2  GLY   6           1HA      GLY   6  11.305   6.715  -1.200
   40    HA3  GLY   6           2HA      GLY   6  11.920   7.696   0.121
   41    HA   PRO   7           HA       PRO   7  13.111   3.663   1.570
   42    HB2  PRO   7           1HB      PRO   7  14.591   4.971   3.674
   43    HB3  PRO   7           2HB      PRO   7  15.207   4.195   2.217
   44    HG2  PRO   7           1HG      PRO   7  15.331   6.890   2.674
   45    HG3  PRO   7           2HG      PRO   7  15.308   6.159   1.059
   46    HD2  PRO   7           1HD      PRO   7  13.070   7.415   2.605
   47    HD3  PRO   7           2HD      PRO   7  13.458   7.540   0.875
   48    H    ASN   8           H        ASN   8  10.832   3.387   2.333
   49    HA   ASN   8           HA       ASN   8   9.482   2.509   3.930
   50    HB2  ASN   8           1HB      ASN   8  12.005   1.855   4.799
   51    HB3  ASN   8           2HB      ASN   8  11.340   2.696   6.195
   52   HD21  ASN   8          1HD2      ASN   8   9.995   1.626   7.501
   53   HD22  ASN   8          2HD2      ASN   8   9.333   0.063   7.176
   54    H    THR   9           H        THR   9   8.205   4.376   3.842
   55    HA   THR   9           HA       THR   9   8.746   6.636   5.517
   56    HB   THR   9           HB       THR   9   6.035   6.464   4.501
   57    HG1  THR   9           1HG      THR   9   6.492   6.175   2.365
   58   HG21  THR   9          3HG2      THR   9   8.397   8.287   4.158
   59   HG22  THR   9          1HG2      THR   9   6.865   8.608   4.967
   60   HG23  THR   9          2HG2      THR   9   6.927   8.508   3.209
   61    H    CYS  10           H        CYS  10   7.465   3.634   6.178
   62    HA   CYS  10           HA       CYS  10   5.825   4.701   8.373
   63    HB2  CYS  10           1HB      CYS  10   5.626   2.085   6.876
   64    HB3  CYS  10           2HB      CYS  10   4.775   2.391   8.387
   65    H    SER  11           H        SER  11   6.681   4.529  10.312
   66    HA   SER  11           HA       SER  11   8.705   2.432  10.767
   67    HB2  SER  11           1HB      SER  11   8.605   4.958  12.387
   68    HB3  SER  11           2HB      SER  11   9.977   3.899  12.054
   69    HG   SER  11           HG       SER  11   8.750   5.807  10.358
   70    H    ILE  12           H        ILE  12   6.343   1.467  11.151
   71    HA   ILE  12           HA       ILE  12   5.847   1.686  14.045
   72    HB   ILE  12           HB       ILE  12   3.705   0.729  12.184
   73   HG12  ILE  12          2HG1      ILE  12   3.998   3.630  12.966
   74   HG13  ILE  12          1HG1      ILE  12   4.588   3.009  11.428
   75   HG21  ILE  12          1HG2      ILE  12   2.509   2.117  14.168
   76   HG22  ILE  12          2HG2      ILE  12   2.886   0.397  14.252
   77   HG23  ILE  12          3HG2      ILE  12   3.974   1.575  14.987
   78   HD11  ILE  12          3HD1      ILE  12   2.569   3.189  10.550
   79   HD12  ILE  12          1HD1      ILE  12   1.886   2.171  11.817
   80   HD13  ILE  12          2HD1      ILE  12   2.011   3.913  12.057
   81    H    ASP  13           H        ASP  13   7.512   0.029  14.192
   82    HA   ASP  13           HA       ASP  13   8.040  -2.078  14.830
   83    HB2  ASP  13           1HB      ASP  13   5.654  -1.952  15.757
   84    HB3  ASP  13           2HB      ASP  13   5.187  -2.914  14.359
   85    H    ASP  14           H        ASP  14   5.448  -3.165  12.712
   86    HA   ASP  14           HA       ASP  14   7.474  -4.258  10.877
   87    HB2  ASP  14           1HB      ASP  14   6.621  -5.972  12.487
   88    HB3  ASP  14           2HB      ASP  14   5.007  -5.717  11.838
   89    H    TYR  15           H        TYR  15   5.063  -2.138  11.111
   90    HA   TYR  15           HA       TYR  15   3.485  -2.894   8.817
   91    HB2  TYR  15           1HB      TYR  15   3.558  -0.360  10.466
   92    HB3  TYR  15           2HB      TYR  15   2.435  -0.639   9.137
   93    HD1  TYR  15           2HD      TYR  15   1.022  -2.852   9.319
   94    HD2  TYR  15           1HD      TYR  15   2.893  -0.922  12.618
   95    HE1  TYR  15           2HE      TYR  15  -0.522  -3.995  10.856
   96    HE2  TYR  15           1HE      TYR  15   1.359  -2.056  14.165
   97    HH   TYR  15           HH       TYR  15  -0.940  -3.067  14.054
   98    H    LYS  16           H        LYS  16   3.936  -2.490   6.776
   99    HA   LYS  16           HA       LYS  16   6.323  -0.929   6.152
  100    HB2  LYS  16           1HB      LYS  16   4.643  -2.826   4.503
  101    HB3  LYS  16           2HB      LYS  16   6.035  -1.955   3.878
  102    HG2  LYS  16           1HG      LYS  16   7.535  -3.187   5.171
  103    HG3  LYS  16           2HG      LYS  16   6.268  -3.753   6.265
  104    HD2  LYS  16           1HD      LYS  16   5.594  -5.404   4.849
  105    HD3  LYS  16           2HD      LYS  16   5.984  -4.470   3.405
  106    HE2  LYS  16           2HE      LYS  16   7.815  -5.713   3.190
  107    HE3  LYS  16           1HE      LYS  16   8.436  -4.943   4.649
  108    HZ1  LYS  16           3HZ      LYS  16   7.263  -6.706   5.932
  109    HZ2  LYS  16           1HZ      LYS  16   8.534  -7.280   4.964
  110    HZ3  LYS  16           2HZ      LYS  16   6.926  -7.494   4.471
  111    HA   PRO  17           HA       PRO  17   3.969   2.333   4.231
  112    HB2  PRO  17           1HB      PRO  17   5.764   3.295   2.478
  113    HB3  PRO  17           2HB      PRO  17   5.970   3.490   4.223
  114    HG2  PRO  17           1HG      PRO  17   7.271   1.551   2.361
  115    HG3  PRO  17           2HG      PRO  17   7.969   2.435   3.729
  116    HD2  PRO  17           1HD      PRO  17   7.148  -0.196   3.820
  117    HD3  PRO  17           2HD      PRO  17   7.289   0.864   5.234
  118    H    TYR  18           H        TYR  18   2.328   1.941   2.878
  119    HA   TYR  18           HA       TYR  18   2.921   0.626   0.313
  120    HB2  TYR  18           1HB      TYR  18   0.926  -0.027   2.417
  121    HB3  TYR  18           2HB      TYR  18   0.400  -0.189   0.744
  122    HD1  TYR  18           1HD      TYR  18   2.680  -1.462   3.319
  123    HD2  TYR  18           2HD      TYR  18   1.330  -1.905  -0.692
  124    HE1  TYR  18           1HE      TYR  18   3.781  -3.656   3.197
  125    HE2  TYR  18           2HE      TYR  18   2.427  -4.104  -0.826
  126    HH   TYR  18           HH       TYR  18   3.164  -5.942   1.320
  127    H    CYS  19           H        CYS  19   1.894   1.388  -1.471
  128    HA   CYS  19           HA       CYS  19   0.526   3.960  -1.178
  129    HB2  CYS  19           1HB      CYS  19   2.568   3.327  -2.795
  130    HB3  CYS  19           2HB      CYS  19   1.243   2.845  -3.848
  131    H    CYS  20           H        CYS  20  -1.460   2.977  -0.462
  132    HA   CYS  20           HA       CYS  20  -2.783   1.237  -2.412
  133    HB2  CYS  20           1HB      CYS  20  -3.857   1.759   0.332
  134    HB3  CYS  20           2HB      CYS  20  -4.039   0.334  -0.682
  135    H    GLN  21           H        GLN  21  -4.735   1.674  -3.280
  136    HA   GLN  21           HA       GLN  21  -5.862   4.336  -2.772
  137    HB2  GLN  21           1HB      GLN  21  -7.184   2.829  -4.870
  138    HB3  GLN  21           2HB      GLN  21  -6.423   4.410  -4.948
  139    HG2  GLN  21           1HG      GLN  21  -4.756   1.933  -4.982
  140    HG3  GLN  21           2HG      GLN  21  -5.560   2.491  -6.448
  141   HE21  GLN  21          1HE2      GLN  21  -2.680   2.388  -5.304
  142   HE22  GLN  21          2HE2      GLN  21  -2.043   3.938  -5.741
  143    H    SER  22           H        SER  22  -7.726   4.514  -1.662
  144    HA   SER  22           HA       SER  22  -8.741   2.148  -0.404
  145    HB2  SER  22           1HB      SER  22 -10.216   4.681  -0.051
  146    HB3  SER  22           2HB      SER  22  -9.568   3.572   1.158
  147    HG   SER  22           HG       SER  22  -8.246   5.252   1.373
  148    H    MET  23           H        MET  23 -10.184   0.872  -1.309
  149    HA   MET  23           HA       MET  23 -11.811   1.752  -3.514
  150    HB2  MET  23           1HB      MET  23 -11.412  -0.861  -2.089
  151    HB3  MET  23           2HB      MET  23 -12.761  -0.657  -3.200
  152    HG2  MET  23           1HG      MET  23 -10.279   0.262  -4.357
  153    HG3  MET  23           2HG      MET  23 -10.176  -1.420  -3.834
  154    HE1  MET  23           3HE      MET  23 -12.207  -3.471  -5.722
  155    HE2  MET  23           1HE      MET  23 -10.715  -3.049  -6.566
  156    HE3  MET  23           2HE      MET  23 -10.739  -3.142  -4.806
  157    H    SER  24           H        SER  24 -13.557   2.885  -3.184
  158    HA   SER  24           HA       SER  24 -14.685   3.474  -0.736
  159    HB2  SER  24           1HB      SER  24 -16.662   3.841  -2.740
  160    HB3  SER  24           2HB      SER  24 -15.574   5.046  -2.051
  161    HG   SER  24           HG       SER  24 -14.336   4.941  -3.773
  162    H    GLY  25           H        GLY  25 -15.579   2.057   0.603
  163    HA2  GLY  25           1HA      GLY  25 -17.260   0.741   1.454
  164    HA3  GLY  25           2HA      GLY  25 -18.106   0.909  -0.074
  165    H    SER  26           H        SER  26 -15.115  -0.223  -0.851
  166    HA   SER  26           HA       SER  26 -16.240  -2.903  -1.174
  167    HB2  SER  26           1HB      SER  26 -13.645  -2.206  -2.428
  168    HB3  SER  26           2HB      SER  26 -15.032  -3.068  -3.099
  169    HG   SER  26           HG       SER  26 -15.890  -0.648  -2.676
  170    H    ALA  27           H        ALA  27 -14.004  -1.239   0.739
  171    HA   ALA  27           HA       ALA  27 -12.754  -1.875   2.518
  172    HB1  ALA  27           1HB      ALA  27 -13.575  -3.578   3.666
  173    HB2  ALA  27           2HB      ALA  27 -14.563  -3.990   2.267
  174    HB3  ALA  27           3HB      ALA  27 -12.978  -4.734   2.477
  175    H    SER  28           H        SER  28 -12.390  -4.547   0.161
  176    HA   SER  28           HA       SER  28  -9.622  -4.846   0.609
  177    HB2  SER  28           1HB      SER  28 -10.937  -5.581  -1.991
  178    HB3  SER  28           2HB      SER  28  -9.679  -6.440  -1.100
  179    HG   SER  28           HG       SER  28 -11.185  -7.142   0.364
  180    H    LEU  29           H        LEU  29  -8.098  -3.414   0.159
  181    HA   LEU  29           HA       LEU  29  -8.632  -1.361  -1.849
  182    HB2  LEU  29           1HB      LEU  29  -6.157  -1.178  -0.269
  183    HB3  LEU  29           2HB      LEU  29  -7.349   0.053  -0.642
  184    HG   LEU  29           HG       LEU  29  -8.493  -1.836   1.188
  185   HD11  LEU  29          1HD1      LEU  29  -6.650  -2.442   2.326
  186   HD12  LEU  29          2HD1      LEU  29  -5.686  -1.118   1.672
  187   HD13  LEU  29          3HD1      LEU  29  -6.777  -0.828   3.025
  188   HD21  LEU  29          3HD2      LEU  29  -9.277   0.053   2.163
  189   HD22  LEU  29          1HD2      LEU  29  -7.728   0.886   2.048
  190   HD23  LEU  29          2HD2      LEU  29  -8.771   0.766   0.632
  191    H    GLY  30           H        GLY  30  -7.416  -1.050  -3.627
  192    HA2  GLY  30           1HA      GLY  30  -5.478  -3.089  -4.361
  193    HA3  GLY  30           2HA      GLY  30  -6.062  -1.781  -5.387
  194    H    CYS  31           H        CYS  31  -3.375  -2.879  -3.890
  195    HA   CYS  31           HA       CYS  31  -2.427  -0.159  -3.292
  196    HB2  CYS  31           1HB      CYS  31  -2.937  -1.627  -1.291
  197    HB3  CYS  31           2HB      CYS  31  -1.579  -2.629  -1.798
  198    H    VAL  32           H        VAL  32  -0.400   0.392  -3.866
  199    HA   VAL  32           HA       VAL  32   1.227  -1.593  -5.306
  200    HB   VAL  32           HB       VAL  32   1.617   1.408  -5.230
  201   HG11  VAL  32          1HG1      VAL  32   2.603  -0.500  -7.325
  202   HG12  VAL  32          2HG1      VAL  32   3.145   1.142  -6.981
  203   HG13  VAL  32          3HG1      VAL  32   3.526  -0.166  -5.860
  204   HG21  VAL  32          3HG2      VAL  32  -0.600   0.550  -6.246
  205   HG22  VAL  32          1HG2      VAL  32   0.377   1.684  -7.177
  206   HG23  VAL  32          2HG2      VAL  32   0.416  -0.036  -7.565
  207    H    VAL  33           H        VAL  33   3.159  -2.222  -4.426
  208    HA   VAL  33           HA       VAL  33   3.727  -1.687  -1.725
  209    HB   VAL  33           HB       VAL  33   5.697  -2.690  -3.792
  210   HG11  VAL  33          1HG1      VAL  33   5.591  -2.981  -0.792
  211   HG12  VAL  33          2HG1      VAL  33   6.731  -3.814  -1.849
  212   HG13  VAL  33          3HG1      VAL  33   6.767  -2.056  -1.725
  213   HG21  VAL  33          3HG2      VAL  33   4.628  -4.796  -2.215
  214   HG22  VAL  33          1HG2      VAL  33   3.279  -3.886  -2.897
  215   HG23  VAL  33          2HG2      VAL  33   4.515  -4.561  -3.960
  216    H    GLY  34           H        GLY  34   4.446   0.136  -0.869
  217    HA2  GLY  34           1HA      GLY  34   5.469   2.264  -2.454
  218    HA3  GLY  34           2HA      GLY  34   5.356   2.232  -0.700
  219    H    VAL  35           H        VAL  35   7.431   2.354  -3.250
  220    HA   VAL  35           HA       VAL  35   9.663   1.382  -1.589
  221    HB   VAL  35           HB       VAL  35  10.862   1.130  -3.872
  222   HG11  VAL  35          1HG1      VAL  35  10.601  -0.857  -2.772
  223   HG12  VAL  35          2HG1      VAL  35   8.850  -0.684  -2.646
  224   HG13  VAL  35          3HG1      VAL  35   9.582  -1.151  -4.182
  225   HG21  VAL  35          3HG2      VAL  35   9.703   1.540  -5.723
  226   HG22  VAL  35          1HG2      VAL  35   8.537   0.294  -5.276
  227   HG23  VAL  35          2HG2      VAL  35   8.295   1.960  -4.749
  228    H    ILE  36           H        ILE  36  11.796   2.393  -2.735
  229    HA   ILE  36           HA       ILE  36  11.699   5.155  -2.146
  230    HB   ILE  36           HB       ILE  36  13.899   3.891  -3.763
  231   HG12  ILE  36          2HG1      ILE  36  14.528   3.782  -0.992
  232   HG13  ILE  36          1HG1      ILE  36  12.963   3.005  -1.210
  233   HG21  ILE  36          1HG2      ILE  36  15.092   5.466  -1.942
  234   HG22  ILE  36          2HG2      ILE  36  14.554   6.037  -3.522
  235   HG23  ILE  36          3HG2      ILE  36  13.545   6.297  -2.098
  236   HD11  ILE  36          3HD1      ILE  36  13.960   1.568  -2.946
  237   HD12  ILE  36          1HD1      ILE  36  15.527   2.305  -2.616
  238   HD13  ILE  36          2HD1      ILE  36  14.712   1.369  -1.363
  239    H    GLY  37           H        GLY  37  10.595   6.538  -3.375
  240    HA2  GLY  37           1HA      GLY  37  10.660   7.960  -5.308
  241    HA3  GLY  37           2HA      GLY  37  11.221   6.589  -6.253
  242    H    SER  38           H        SER  38   8.515   6.654  -3.986
  243    HA   SER  38           HA       SER  38   6.718   6.175  -6.272
  244    HB2  SER  38           1HB      SER  38   6.071   5.296  -3.470
  245    HB3  SER  38           2HB      SER  38   5.454   4.671  -4.999
  246    HG   SER  38           HG       SER  38   8.019   4.292  -3.852
  247    H    GLN  39           H        GLN  39   5.864   8.131  -6.688
  248    HA   GLN  39           HA       GLN  39   5.074   9.920  -4.569
  249    HB2  GLN  39           1HB      GLN  39   5.886  10.516  -6.972
  250    HB3  GLN  39           2HB      GLN  39   4.215  10.213  -7.430
  251    HG2  GLN  39           1HG      GLN  39   3.423  11.959  -6.036
  252    HG3  GLN  39           2HG      GLN  39   4.998  12.143  -5.266
  253   HE21  GLN  39          1HE2      GLN  39   6.037  13.869  -5.907
  254   HE22  GLN  39          2HE2      GLN  39   5.975  14.576  -7.487
  255    H    CYS  40           H        CYS  40   3.502   9.028  -3.356
  256    HA   CYS  40           HA       CYS  40   1.316   7.542  -4.419
  257    HB2  CYS  40           1HB      CYS  40   2.024   8.646  -1.719
  258    HB3  CYS  40           2HB      CYS  40   0.414   8.001  -2.005
  259    H    GLY  41           H        GLY  41  -0.114   8.518  -5.710
  260    HA2  GLY  41           1HA      GLY  41  -0.973  11.240  -5.288
  261    HA3  GLY  41           2HA      GLY  41  -1.614  10.109  -6.476
  262    H    ALA  42           H        ALA  42  -1.922   8.134  -4.208
  263    HA   ALA  42           HA       ALA  42  -4.529   9.091  -3.294
  264    HB1  ALA  42           1HB      ALA  42  -3.530   6.559  -4.154
  265    HB2  ALA  42           2HB      ALA  42  -4.089   6.413  -2.489
  266    HB3  ALA  42           3HB      ALA  42  -5.182   7.011  -3.735
  267    H    SER  43           H        SER  43  -3.558   6.634  -1.304
  268    HA   SER  43           HA       SER  43  -2.585   8.527   0.729
  269    HB2  SER  43           1HB      SER  43  -4.528   6.228   1.001
  270    HB3  SER  43           2HB      SER  43  -3.755   6.997   2.386
  271    HG   SER  43           HG       SER  43  -5.153   8.539   2.245
  272    H    VAL  44           H        VAL  44  -0.611   8.077   1.463
  273    HA   VAL  44           HA       VAL  44   0.583   5.483   1.078
  274    HB   VAL  44           HB       VAL  44   2.135   7.260   0.908
  275   HG11  VAL  44          1HG1      VAL  44   0.515   8.500   2.903
  276   HG12  VAL  44          2HG1      VAL  44   2.200   8.534   3.422
  277   HG13  VAL  44          3HG1      VAL  44   1.744   9.219   1.863
  278   HG21  VAL  44          3HG2      VAL  44   3.005   5.347   2.143
  279   HG22  VAL  44          1HG2      VAL  44   3.746   6.849   2.699
  280   HG23  VAL  44          2HG2      VAL  44   2.485   6.078   3.661
  281    H    LYS  45           H        LYS  45   0.112   3.839   2.342
  282    HA   LYS  45           HA       LYS  45  -0.903   4.405   5.048
  283    HB2  LYS  45           1HB      LYS  45  -1.518   2.023   3.289
  284    HB3  LYS  45           2HB      LYS  45  -2.235   2.382   4.854
  285    HG2  LYS  45           1HG      LYS  45  -2.812   4.656   3.513
  286    HG3  LYS  45           2HG      LYS  45  -2.848   3.477   2.202
  287    HD2  LYS  45           1HD      LYS  45  -5.054   3.578   3.057
  288    HD3  LYS  45           2HD      LYS  45  -4.357   2.076   3.666
  289    HE2  LYS  45           2HE      LYS  45  -5.683   3.555   5.300
  290    HE3  LYS  45           1HE      LYS  45  -4.131   2.907   5.825
  291    HZ1  LYS  45           3HZ      LYS  45  -3.422   5.264   4.733
  292    HZ2  LYS  45           1HZ      LYS  45  -3.708   5.016   6.384
  293    HZ3  LYS  45           2HZ      LYS  45  -4.931   5.649   5.390
  294    H    CYS  46           H        CYS  46  -0.523   2.765   6.666
  295    HA   CYS  46           HA       CYS  46   2.035   1.364   6.232
  296    HB2  CYS  46           1HB      CYS  46   0.862   2.255   8.876
  297    HB3  CYS  46           2HB      CYS  46   2.460   1.569   8.607
  298    H    CYS  47           H        CYS  47   1.286  -0.558   5.514
  299    HA   CYS  47           HA       CYS  47  -0.655  -1.971   7.220
  300    HB2  CYS  47           1HB      CYS  47  -0.082  -2.853   4.427
  301    HB3  CYS  47           2HB      CYS  47  -1.574  -2.973   5.354
  302    H    LYS  48           H        LYS  48  -0.243  -4.122   7.789
  303    HA   LYS  48           HA       LYS  48   2.498  -4.985   7.684
  304    HB2  LYS  48           1HB      LYS  48   0.251  -5.635   9.240
  305    HB3  LYS  48           2HB      LYS  48   0.625  -7.098   8.337
  306    HG2  LYS  48           1HG      LYS  48   2.838  -7.161   9.213
  307    HG3  LYS  48           2HG      LYS  48   2.654  -5.564   9.938
  308    HD2  LYS  48           1HD      LYS  48   0.658  -6.690  11.196
  309    HD3  LYS  48           2HD      LYS  48   1.507  -8.185  10.795
  310    HE2  LYS  48           2HE      LYS  48   3.068  -5.951  11.988
  311    HE3  LYS  48           1HE      LYS  48   1.987  -6.864  13.037
  312    HZ1  LYS  48           3HZ      LYS  48   3.114  -8.909  12.246
  313    HZ2  LYS  48           1HZ      LYS  48   4.133  -7.866  13.113
  314    HZ3  LYS  48           2HZ      LYS  48   4.235  -7.940  11.420
  315    H    ASP  49           H        ASP  49  -0.573  -6.044   6.296
  316    HA   ASP  49           HA       ASP  49  -1.132  -6.766   4.236
  317    HB2  ASP  49           1HB      ASP  49   0.042  -5.228   3.015
  318    HB3  ASP  49           2HB      ASP  49   1.577  -5.627   3.770
  319    H    ASP  50           H        ASP  50  -0.903  -8.652   2.812
  320    HA   ASP  50           HA       ASP  50   0.780 -10.738   4.038
  321    HB2  ASP  50           1HB      ASP  50  -1.790 -10.864   4.395
  322    HB3  ASP  50           2HB      ASP  50  -1.835 -11.383   2.713
  323    H    VAL  51           H        VAL  51   1.996  -9.447   2.121
  324    HA   VAL  51           HA       VAL  51   1.656 -10.319  -0.501
  325    HB   VAL  51           HB       VAL  51   3.217  -8.568  -0.136
  326   HG11  VAL  51          1HG1      VAL  51   4.788 -10.458   1.605
  327   HG12  VAL  51          2HG1      VAL  51   5.295  -8.835   1.140
  328   HG13  VAL  51          3HG1      VAL  51   3.864  -9.057   2.145
  329   HG21  VAL  51          3HG2      VAL  51   4.725 -11.052  -0.940
  330   HG22  VAL  51          1HG2      VAL  51   3.801  -9.988  -2.001
  331   HG23  VAL  51          2HG2      VAL  51   5.270  -9.398  -1.223
  332    H    THR  52           H        THR  52   1.255 -12.399  -0.899
  333    HA   THR  52           HA       THR  52   2.484 -14.513   0.606
  334    HB   THR  52           HB       THR  52   1.077 -15.369  -1.786
  335    HG1  THR  52           1HG      THR  52  -0.151 -13.462  -0.047
  336   HG21  THR  52          3HG2      THR  52   1.286 -16.011   1.011
  337   HG22  THR  52          1HG2      THR  52   0.689 -17.007  -0.316
  338   HG23  THR  52          2HG2      THR  52  -0.409 -15.923   0.538
  339    H    ASN  53           H        ASN  53   2.286 -13.941  -2.897
  340    HA   ASN  53           HA       ASN  53   5.104 -14.333  -3.276
  341    HB2  ASN  53           1HB      ASN  53   4.085 -16.692  -3.027
  342    HB3  ASN  53           2HB      ASN  53   3.316 -16.387  -4.580
  343   HD21  ASN  53          1HD2      ASN  53   4.549 -18.274  -5.230
  344   HD22  ASN  53          2HD2      ASN  53   6.194 -18.075  -5.741
  345    H    THR  54           H        THR  54   1.912 -14.414  -4.757
  346    HA   THR  54           HA       THR  54   2.855 -13.076  -7.149
  347    HB   THR  54           HB       THR  54   0.083 -13.190  -7.243
  348    HG1  THR  54           1HG      THR  54   0.989 -15.675  -6.185
  349   HG21  THR  54          3HG2      THR  54   1.513 -13.802  -9.089
  350   HG22  THR  54          1HG2      THR  54   0.473 -15.176  -8.709
  351   HG23  THR  54          2HG2      THR  54   2.157 -15.174  -8.187
  352    H    GLY  55           H        GLY  55   3.234 -10.942  -6.900
  353    HA2  GLY  55           1HA      GLY  55   1.491  -8.948  -6.860
  354    HA3  GLY  55           2HA      GLY  55   1.521  -9.350  -5.148
  355    H    ASN  56           H        ASN  56   2.908  -7.499  -7.554
  356    HA   ASN  56           HA       ASN  56   5.073  -6.718  -5.725
  357    HB2  ASN  56           1HB      ASN  56   6.154  -8.093  -7.405
  358    HB3  ASN  56           2HB      ASN  56   5.367  -7.194  -8.699
  359   HD21  ASN  56          1HD2      ASN  56   7.175  -6.461  -9.695
  360   HD22  ASN  56          2HD2      ASN  56   8.284  -5.344  -8.980
  361    H    SER  57           H        SER  57   3.680  -5.794  -8.889
  362    HA   SER  57           HA       SER  57   3.937  -3.000  -8.261
  363    HB2  SER  57           1HB      SER  57   2.309  -3.172 -10.488
  364    HB3  SER  57           2HB      SER  57   4.070  -3.065 -10.513
  365    HG   SER  57           HG       SER  57   2.397  -5.263 -10.923
  366    H    PHE  58           H        PHE  58   1.473  -5.441  -8.092
  367    HA   PHE  58           HA       PHE  58  -0.278  -3.515  -6.777
  368    HB2  PHE  58           1HB      PHE  58  -0.787  -4.287  -9.362
  369    HB3  PHE  58           2HB      PHE  58  -1.747  -5.435  -8.437
  370    HD1  PHE  58           2HD      PHE  58  -1.018  -1.778  -8.533
  371    HD2  PHE  58           1HD      PHE  58  -3.895  -4.848  -7.898
  372    HE1  PHE  58           2HE      PHE  58  -2.768  -0.072  -8.236
  373    HE2  PHE  58           1HE      PHE  58  -5.648  -3.150  -7.601
  374    HZ   PHE  58           HZ       PHE  58  -5.086  -0.756  -7.768
  375    H    LEU  59           H        LEU  59  -0.952  -4.250  -4.928
  376    HA   LEU  59           HA       LEU  59  -1.349  -7.140  -4.559
  377    HB2  LEU  59           1HB      LEU  59   0.529  -5.438  -3.206
  378    HB3  LEU  59           2HB      LEU  59  -0.679  -5.983  -2.060
  379    HG   LEU  59           HG       LEU  59   0.623  -8.002  -3.831
  380   HD11  LEU  59          1HD1      LEU  59   1.887  -7.203  -1.238
  381   HD12  LEU  59          2HD1      LEU  59   2.551  -8.171  -2.553
  382   HD13  LEU  59          3HD1      LEU  59   2.354  -6.429  -2.752
  383   HD21  LEU  59          3HD2      LEU  59   0.117  -9.494  -2.090
  384   HD22  LEU  59          1HD2      LEU  59  -0.127  -8.188  -0.928
  385   HD23  LEU  59          2HD2      LEU  59  -1.298  -8.448  -2.224
  386    H    ILE  60           H        ILE  60  -3.060  -7.675  -3.136
  387    HA   ILE  60           HA       ILE  60  -4.962  -5.465  -2.770
  388    HB   ILE  60           HB       ILE  60  -5.535  -8.431  -2.862
  389   HG12  ILE  60          2HG1      ILE  60  -4.776  -7.538  -5.036
  390   HG13  ILE  60          1HG1      ILE  60  -6.469  -8.022  -5.081
  391   HG21  ILE  60          1HG2      ILE  60  -7.161  -7.251  -1.517
  392   HG22  ILE  60          2HG2      ILE  60  -7.393  -6.058  -2.796
  393   HG23  ILE  60          3HG2      ILE  60  -7.892  -7.730  -3.050
  394   HD11  ILE  60          3HD1      ILE  60  -5.699  -5.789  -6.170
  395   HD12  ILE  60          1HD1      ILE  60  -7.215  -5.858  -5.273
  396   HD13  ILE  60          2HD1      ILE  60  -5.773  -5.179  -4.518
  397    H    ILE  61           H        ILE  61  -5.381  -4.793  -0.795
  398    HA   ILE  61           HA       ILE  61  -4.662  -6.534   1.477
  399    HB   ILE  61           HB       ILE  61  -4.768  -3.513   1.356
  400   HG12  ILE  61          2HG1      ILE  61  -2.330  -5.150   1.966
  401   HG13  ILE  61          1HG1      ILE  61  -2.813  -4.890   0.294
  402   HG21  ILE  61          1HG2      ILE  61  -4.942  -5.309   3.577
  403   HG22  ILE  61          2HG2      ILE  61  -3.445  -4.380   3.674
  404   HG23  ILE  61          3HG2      ILE  61  -4.996  -3.546   3.561
  405   HD11  ILE  61          3HD1      ILE  61  -2.118  -2.787   2.322
  406   HD12  ILE  61          1HD1      ILE  61  -1.176  -3.259   0.907
  407   HD13  ILE  61          2HD1      ILE  61  -2.734  -2.454   0.702
  408    H    ASN  62           H        ASN  62  -6.213  -7.065   2.904
  409    HA   ASN  62           HA       ASN  62  -8.928  -6.423   2.201
  410    HB2  ASN  62           1HB      ASN  62  -7.778  -8.665   3.178
  411    HB3  ASN  62           2HB      ASN  62  -8.423  -7.973   4.664
  412   HD21  ASN  62          1HD2      ASN  62 -10.166  -9.152   5.093
  413   HD22  ASN  62          2HD2      ASN  62 -11.471  -9.449   3.991
  414    H    ALA  63           H        ALA  63  -7.891  -4.090   2.950
  415    HA   ALA  63           HA       ALA  63  -8.482  -2.235   4.104
  416    HB1  ALA  63           1HB      ALA  63 -10.450  -2.813   5.886
  417    HB2  ALA  63           2HB      ALA  63 -10.704  -2.442   4.180
  418    HB3  ALA  63           3HB      ALA  63 -10.630  -4.120   4.717
  419    H    ALA  64           H        ALA  64  -8.755  -4.859   6.537
  420    HA   ALA  64           HA       ALA  64  -8.077  -2.998   8.614
  421    HB1  ALA  64           1HB      ALA  64  -8.850  -4.568  10.073
  422    HB2  ALA  64           2HB      ALA  64  -9.666  -5.108   8.607
  423    HB3  ALA  64           3HB      ALA  64  -8.192  -5.917   9.146
  424    H    ASN  65           H        ASN  65  -6.164  -4.740   6.536
  425    HA   ASN  65           HA       ASN  65  -4.073  -5.418   8.403
  426    HB2  ASN  65           1HB      ASN  65  -4.682  -6.169   5.798
  427    HB3  ASN  65           2HB      ASN  65  -3.228  -5.191   5.626
  428   HD21  ASN  65          1HD2      ASN  65  -4.238  -8.223   5.921
  429   HD22  ASN  65          2HD2      ASN  65  -2.890  -8.935   6.728
  430    H    CYS  66           H        CYS  66  -5.037  -2.687   6.574
  431    HA   CYS  66           HA       CYS  66  -2.534  -1.266   7.089
  432    HB2  CYS  66           1HB      CYS  66  -5.057  -0.347   5.683
  433    HB3  CYS  66           2HB      CYS  66  -3.562   0.572   5.801
  434    H    VAL  67           H        VAL  67  -2.462  -0.831   9.248
  435    HA   VAL  67           HA       VAL  67  -4.827  -0.053  10.694
  436    HB   VAL  67           HB       VAL  67  -3.320   0.158  12.644
  437   HG11  VAL  67          1HG1      VAL  67  -3.814  -2.218  11.085
  438   HG12  VAL  67          2HG1      VAL  67  -2.332  -2.376  12.027
  439   HG13  VAL  67          3HG1      VAL  67  -3.853  -1.992  12.833
  440   HG21  VAL  67          3HG2      VAL  67  -0.950  -1.003  11.834
  441   HG22  VAL  67          1HG2      VAL  67  -1.295   0.162  10.554
  442   HG23  VAL  67          2HG2      VAL  67  -1.191   0.698  12.231
  443    H    ALA  68           H        ALA  68  -2.115   1.548   9.213
  444    HA   ALA  68           HA       ALA  68  -3.186   4.130  10.133
  445    HB1  ALA  68           1HB      ALA  68  -0.344   4.095   9.400
  446    HB2  ALA  68           2HB      ALA  68  -1.160   4.884  10.751
  447    HB3  ALA  68           3HB      ALA  68  -0.743   3.173  10.851